USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 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 90 ASN : amide:sc= 0 K(o=-1.1,f=-2.6) USER MOD Set 1.2: A 93 MET CE :methyl -113:sc= -1.08 (180deg=-2.36) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0.154 (180deg=0.125) USER MOD Single : A 21 SER OG : rot 54:sc= 0.242 USER MOD Single : A 22 CYS SG : rot -83:sc= -0.262 USER MOD Single : A 23 SER OG : rot 84:sc= 0.402 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 32 SER OG : rot -75:sc= 1.19 USER MOD Single : A 34 CYS SG : rot -37:sc= -3.45! USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= -0.0119 (180deg=-0.0899) USER MOD Single : A 37 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.24) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.124 F(o=-2.3,f=-0.12) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 156:sc= 0.548 USER MOD Single : A 54 SER OG : rot 79:sc= 0.831 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 0.526 (180deg=0.171) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0983) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= 1.77 (180deg=0.359) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 153:sc= -0.622 (180deg=-2.22) USER MOD Single : A 80 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.0026) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 174:sc=-0.00469 (180deg=-0.0644) USER MOD Single : A 88 SER OG : rot 150:sc= 1.5 USER MOD Single : A 89 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.022) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.0497 K(o=-0.05,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.998 -3.550 3.415 1.00 0.00 N ATOM 84 CA PHE A 11 10.713 -3.535 1.971 1.00 0.00 C ATOM 85 C PHE A 11 9.238 -3.150 1.684 1.00 0.00 C ATOM 86 O PHE A 11 8.824 -3.117 0.532 1.00 0.00 O ATOM 87 CB PHE A 11 11.026 -4.921 1.342 1.00 0.00 C ATOM 88 CG PHE A 11 12.450 -5.446 1.571 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.551 -4.610 1.416 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.687 -6.780 1.922 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.838 -5.079 1.596 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.978 -7.251 2.105 1.00 0.00 C ATOM 93 CZ PHE A 11 15.052 -6.397 1.943 1.00 0.00 C ATOM 0 HA PHE A 11 11.355 -2.779 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.321 -5.649 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.848 -4.861 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.397 -3.575 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.852 -7.452 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.678 -4.413 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.144 -8.284 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.058 -6.761 2.088 1.00 0.00 H new ATOM 103 N VAL A 12 8.454 -2.862 2.738 1.00 0.00 N ATOM 104 CA VAL A 12 7.021 -2.510 2.627 1.00 0.00 C ATOM 105 C VAL A 12 6.816 -1.023 2.976 1.00 0.00 C ATOM 106 O VAL A 12 7.466 -0.501 3.885 1.00 0.00 O ATOM 107 CB VAL A 12 6.145 -3.406 3.587 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.633 -3.100 3.435 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.431 -4.907 3.351 1.00 0.00 C ATOM 0 H VAL A 12 8.796 -2.866 3.699 1.00 0.00 H new ATOM 0 HA VAL A 12 6.704 -2.690 1.600 1.00 0.00 H new ATOM 0 HB VAL A 12 6.426 -3.161 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.063 -3.737 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.447 -2.054 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.324 -3.294 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.816 -5.505 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.195 -5.164 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.484 -5.112 3.544 1.00 0.00 H new ATOM 119 N VAL A 13 5.959 -0.337 2.206 1.00 0.00 N ATOM 120 CA VAL A 13 5.417 0.987 2.579 1.00 0.00 C ATOM 121 C VAL A 13 3.942 0.865 2.979 1.00 0.00 C ATOM 122 O VAL A 13 3.283 -0.122 2.646 1.00 0.00 O ATOM 123 CB VAL A 13 5.561 2.031 1.411 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.046 2.328 1.123 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.814 1.576 0.124 1.00 0.00 C ATOM 0 H VAL A 13 5.620 -0.680 1.307 1.00 0.00 H new ATOM 0 HA VAL A 13 5.999 1.347 3.427 1.00 0.00 H new ATOM 0 HB VAL A 13 5.087 2.956 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.122 3.052 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.516 2.735 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.552 1.407 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.941 2.327 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.224 0.626 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.753 1.456 0.342 1.00 0.00 H new ATOM 135 N LYS A 14 3.424 1.891 3.671 1.00 0.00 N ATOM 136 CA LYS A 14 1.998 1.958 4.046 1.00 0.00 C ATOM 137 C LYS A 14 1.368 3.124 3.286 1.00 0.00 C ATOM 138 O LYS A 14 1.784 4.265 3.446 1.00 0.00 O ATOM 139 CB LYS A 14 1.779 2.125 5.573 1.00 0.00 C ATOM 140 CG LYS A 14 0.280 2.129 5.979 1.00 0.00 C ATOM 141 CD LYS A 14 0.038 2.256 7.501 1.00 0.00 C ATOM 142 CE LYS A 14 0.548 3.581 8.099 1.00 0.00 C ATOM 143 NZ LYS A 14 0.058 3.783 9.484 1.00 0.00 N ATOM 0 H LYS A 14 3.973 2.691 3.985 1.00 0.00 H new ATOM 0 HA LYS A 14 1.525 1.013 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.289 1.317 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.240 3.057 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.220 2.954 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.184 1.209 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.030 2.165 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.528 1.425 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.638 3.587 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.222 4.412 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.564 4.581 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.961 3.989 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.227 2.921 10.041 1.00 0.00 H new ATOM 157 N VAL A 15 0.355 2.828 2.476 1.00 0.00 N ATOM 158 CA VAL A 15 -0.217 3.772 1.522 1.00 0.00 C ATOM 159 C VAL A 15 -1.625 4.161 1.995 1.00 0.00 C ATOM 160 O VAL A 15 -2.515 3.321 2.089 1.00 0.00 O ATOM 161 CB VAL A 15 -0.238 3.147 0.081 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.791 4.131 -0.972 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.179 2.666 -0.309 1.00 0.00 C ATOM 0 H VAL A 15 -0.097 1.914 2.464 1.00 0.00 H new ATOM 0 HA VAL A 15 0.395 4.672 1.471 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.913 2.291 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.786 3.655 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.811 4.410 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.166 5.024 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.154 2.234 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.867 3.512 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.516 1.913 0.403 1.00 0.00 H new ATOM 173 N ARG A 16 -1.786 5.453 2.265 1.00 0.00 N ATOM 174 CA ARG A 16 -2.988 6.056 2.858 1.00 0.00 C ATOM 175 C ARG A 16 -3.490 7.118 1.880 1.00 0.00 C ATOM 176 O ARG A 16 -2.688 7.722 1.186 1.00 0.00 O ATOM 177 CB ARG A 16 -2.642 6.680 4.242 1.00 0.00 C ATOM 178 CG ARG A 16 -3.803 7.441 4.930 1.00 0.00 C ATOM 179 CD ARG A 16 -3.359 8.189 6.198 1.00 0.00 C ATOM 180 NE ARG A 16 -4.424 9.085 6.701 1.00 0.00 N ATOM 181 CZ ARG A 16 -4.225 10.172 7.460 1.00 0.00 C ATOM 182 NH1 ARG A 16 -3.005 10.510 7.864 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.266 10.913 7.820 1.00 0.00 N ATOM 0 H ARG A 16 -1.058 6.140 2.071 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.764 5.309 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.305 5.885 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.804 7.366 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.232 8.153 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.591 6.734 5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.093 7.469 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.463 8.772 5.983 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.386 8.857 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.203 9.939 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.871 11.340 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.205 10.653 7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.126 11.742 8.397 1.00 0.00 H new ATOM 197 N GLY A 17 -4.806 7.332 1.814 1.00 0.00 N ATOM 198 CA GLY A 17 -5.400 8.253 0.827 1.00 0.00 C ATOM 199 C GLY A 17 -5.940 7.508 -0.377 1.00 0.00 C ATOM 200 O GLY A 17 -6.124 8.080 -1.460 1.00 0.00 O ATOM 0 H GLY A 17 -5.485 6.883 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.204 8.820 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.649 8.974 0.503 1.00 0.00 H new ATOM 204 N LEU A 18 -6.178 6.201 -0.177 1.00 0.00 N ATOM 205 CA LEU A 18 -6.728 5.315 -1.203 1.00 0.00 C ATOM 206 C LEU A 18 -8.255 5.270 -1.063 1.00 0.00 C ATOM 207 O LEU A 18 -8.743 4.837 -0.004 1.00 0.00 O ATOM 208 CB LEU A 18 -6.129 3.892 -1.068 1.00 0.00 C ATOM 209 CG LEU A 18 -4.584 3.789 -1.257 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.105 2.332 -1.101 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.145 4.388 -2.613 1.00 0.00 C ATOM 0 H LEU A 18 -5.991 5.731 0.709 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.467 5.698 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.383 3.503 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.610 3.244 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.110 4.378 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.024 2.288 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.360 1.970 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.591 1.707 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.063 4.302 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.631 3.846 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.431 5.439 -2.656 1.00 0.00 H new ATOM 223 N PRO A 19 -9.031 5.741 -2.106 1.00 0.00 N ATOM 224 CA PRO A 19 -10.516 5.689 -2.098 1.00 0.00 C ATOM 225 C PRO A 19 -11.075 4.278 -1.803 1.00 0.00 C ATOM 226 O PRO A 19 -10.399 3.266 -2.015 1.00 0.00 O ATOM 227 CB PRO A 19 -10.901 6.141 -3.533 1.00 0.00 C ATOM 228 CG PRO A 19 -9.762 7.005 -3.969 1.00 0.00 C ATOM 229 CD PRO A 19 -8.521 6.382 -3.361 1.00 0.00 C ATOM 0 HA PRO A 19 -10.932 6.315 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.029 5.287 -4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.842 6.692 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.690 7.040 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.894 8.031 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.070 5.650 -4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.759 7.131 -3.148 1.00 0.00 H new ATOM 237 N TRP A 20 -12.326 4.235 -1.330 1.00 0.00 N ATOM 238 CA TRP A 20 -13.051 2.982 -1.054 1.00 0.00 C ATOM 239 C TRP A 20 -13.252 2.123 -2.334 1.00 0.00 C ATOM 240 O TRP A 20 -13.537 0.928 -2.243 1.00 0.00 O ATOM 241 CB TRP A 20 -14.417 3.304 -0.388 1.00 0.00 C ATOM 242 CG TRP A 20 -15.444 3.974 -1.301 1.00 0.00 C ATOM 243 CD1 TRP A 20 -16.507 3.366 -1.910 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.505 5.360 -1.701 1.00 0.00 C ATOM 245 NE1 TRP A 20 -17.206 4.268 -2.664 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.612 5.495 -2.559 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.728 6.495 -1.434 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.971 6.711 -3.132 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -15.083 7.703 -2.003 1.00 0.00 C ATOM 250 CH2 TRP A 20 -16.193 7.801 -2.849 1.00 0.00 C ATOM 0 H TRP A 20 -12.871 5.073 -1.125 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.444 2.389 -0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.844 2.377 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.241 3.952 0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -16.759 2.321 -1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -18.038 4.059 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.863 6.426 -0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.833 6.792 -3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -14.495 8.584 -1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.441 8.756 -3.288 1.00 0.00 H new ATOM 261 N SER A 21 -13.121 2.758 -3.511 1.00 0.00 N ATOM 262 CA SER A 21 -13.298 2.102 -4.820 1.00 0.00 C ATOM 263 C SER A 21 -11.968 1.978 -5.594 1.00 0.00 C ATOM 264 O SER A 21 -11.989 1.686 -6.798 1.00 0.00 O ATOM 265 CB SER A 21 -14.333 2.911 -5.640 1.00 0.00 C ATOM 266 OG SER A 21 -15.540 3.065 -4.918 1.00 0.00 O ATOM 0 H SER A 21 -12.888 3.748 -3.582 1.00 0.00 H new ATOM 0 HA SER A 21 -13.657 1.086 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.923 3.891 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.532 2.404 -6.584 1.00 0.00 H new ATOM 0 HG SER A 21 -15.348 3.453 -4.039 1.00 0.00 H new ATOM 272 N CYS A 22 -10.809 2.174 -4.914 1.00 0.00 N ATOM 273 CA CYS A 22 -9.477 2.034 -5.560 1.00 0.00 C ATOM 274 C CYS A 22 -9.203 0.568 -5.971 1.00 0.00 C ATOM 275 O CYS A 22 -9.953 -0.340 -5.609 1.00 0.00 O ATOM 276 CB CYS A 22 -8.359 2.546 -4.615 1.00 0.00 C ATOM 277 SG CYS A 22 -8.204 1.609 -3.065 1.00 0.00 S ATOM 0 H CYS A 22 -10.769 2.427 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.480 2.642 -6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.407 2.510 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.552 3.592 -4.376 1.00 0.00 H new ATOM 0 HG CYS A 22 -9.076 2.046 -2.205 1.00 0.00 H new ATOM 283 N SER A 23 -8.124 0.348 -6.732 1.00 0.00 N ATOM 284 CA SER A 23 -7.739 -0.995 -7.220 1.00 0.00 C ATOM 285 C SER A 23 -6.220 -1.154 -7.132 1.00 0.00 C ATOM 286 O SER A 23 -5.492 -0.153 -7.120 1.00 0.00 O ATOM 287 CB SER A 23 -8.231 -1.205 -8.673 1.00 0.00 C ATOM 288 OG SER A 23 -9.623 -0.965 -8.772 1.00 0.00 O ATOM 0 H SER A 23 -7.490 1.090 -7.030 1.00 0.00 H new ATOM 0 HA SER A 23 -8.210 -1.753 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.693 -0.535 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.009 -2.223 -8.993 1.00 0.00 H new ATOM 0 HG SER A 23 -9.782 -0.004 -8.883 1.00 0.00 H new ATOM 294 N ALA A 24 -5.759 -2.418 -7.053 1.00 0.00 N ATOM 295 CA ALA A 24 -4.323 -2.760 -7.043 1.00 0.00 C ATOM 296 C ALA A 24 -3.625 -2.217 -8.303 1.00 0.00 C ATOM 297 O ALA A 24 -2.573 -1.591 -8.210 1.00 0.00 O ATOM 298 CB ALA A 24 -4.138 -4.285 -6.914 1.00 0.00 C ATOM 0 H ALA A 24 -6.372 -3.231 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.857 -2.288 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.074 -4.523 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.592 -4.629 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.616 -4.782 -7.758 1.00 0.00 H new ATOM 304 N ASP A 25 -4.253 -2.433 -9.474 1.00 0.00 N ATOM 305 CA ASP A 25 -3.802 -1.860 -10.760 1.00 0.00 C ATOM 306 C ASP A 25 -3.638 -0.327 -10.700 1.00 0.00 C ATOM 307 O ASP A 25 -2.645 0.198 -11.196 1.00 0.00 O ATOM 308 CB ASP A 25 -4.783 -2.245 -11.897 1.00 0.00 C ATOM 309 CG ASP A 25 -4.679 -3.720 -12.305 1.00 0.00 C ATOM 310 OD1 ASP A 25 -5.208 -4.595 -11.584 1.00 0.00 O ATOM 311 OD2 ASP A 25 -4.050 -4.014 -13.349 1.00 0.00 O ATOM 0 H ASP A 25 -5.089 -3.011 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.819 -2.283 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.803 -2.034 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.586 -1.618 -12.767 1.00 0.00 H new ATOM 316 N GLU A 26 -4.604 0.364 -10.058 1.00 0.00 N ATOM 317 CA GLU A 26 -4.571 1.838 -9.890 1.00 0.00 C ATOM 318 C GLU A 26 -3.372 2.293 -9.023 1.00 0.00 C ATOM 319 O GLU A 26 -2.725 3.308 -9.320 1.00 0.00 O ATOM 320 CB GLU A 26 -5.895 2.350 -9.265 1.00 0.00 C ATOM 321 CG GLU A 26 -7.141 2.157 -10.146 1.00 0.00 C ATOM 322 CD GLU A 26 -8.417 2.746 -9.519 1.00 0.00 C ATOM 323 OE1 GLU A 26 -8.539 3.989 -9.466 1.00 0.00 O ATOM 324 OE2 GLU A 26 -9.302 1.983 -9.074 1.00 0.00 O ATOM 0 H GLU A 26 -5.424 -0.078 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.453 2.270 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.055 1.837 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.788 3.411 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.970 2.625 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.290 1.093 -10.327 1.00 0.00 H new ATOM 331 N VAL A 27 -3.085 1.523 -7.959 1.00 0.00 N ATOM 332 CA VAL A 27 -1.941 1.771 -7.056 1.00 0.00 C ATOM 333 C VAL A 27 -0.611 1.501 -7.797 1.00 0.00 C ATOM 334 O VAL A 27 0.387 2.207 -7.598 1.00 0.00 O ATOM 335 CB VAL A 27 -2.041 0.873 -5.761 1.00 0.00 C ATOM 336 CG1 VAL A 27 -0.843 1.086 -4.812 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.371 1.110 -5.005 1.00 0.00 C ATOM 0 H VAL A 27 -3.640 0.708 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.967 2.816 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.018 -0.162 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.955 0.448 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.081 0.831 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.808 2.129 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.404 0.475 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.437 2.156 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.209 0.866 -5.658 1.00 0.00 H new ATOM 347 N GLN A 28 -0.633 0.492 -8.686 1.00 0.00 N ATOM 348 CA GLN A 28 0.529 0.112 -9.504 1.00 0.00 C ATOM 349 C GLN A 28 0.888 1.247 -10.483 1.00 0.00 C ATOM 350 O GLN A 28 2.067 1.533 -10.700 1.00 0.00 O ATOM 351 CB GLN A 28 0.247 -1.208 -10.272 1.00 0.00 C ATOM 352 CG GLN A 28 1.475 -1.820 -11.001 1.00 0.00 C ATOM 353 CD GLN A 28 1.174 -3.125 -11.747 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.066 -3.331 -12.248 1.00 0.00 O ATOM 355 NE2 GLN A 28 2.156 -4.020 -11.814 1.00 0.00 N ATOM 0 H GLN A 28 -1.458 -0.082 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 28 1.380 -0.055 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.142 -1.944 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.537 -1.023 -11.006 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.864 -1.090 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.263 -2.005 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.061 -3.817 -11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.004 -4.909 -12.291 1.00 0.00 H new ATOM 364 N ARG A 29 -0.156 1.880 -11.073 1.00 0.00 N ATOM 365 CA ARG A 29 -0.001 3.089 -11.911 1.00 0.00 C ATOM 366 C ARG A 29 0.630 4.237 -11.111 1.00 0.00 C ATOM 367 O ARG A 29 1.560 4.891 -11.583 1.00 0.00 O ATOM 368 CB ARG A 29 -1.362 3.576 -12.480 1.00 0.00 C ATOM 369 CG ARG A 29 -2.140 2.529 -13.289 1.00 0.00 C ATOM 370 CD ARG A 29 -3.399 3.106 -13.959 1.00 0.00 C ATOM 371 NE ARG A 29 -3.069 3.968 -15.110 1.00 0.00 N ATOM 372 CZ ARG A 29 -3.842 4.946 -15.609 1.00 0.00 C ATOM 373 NH1 ARG A 29 -4.980 5.290 -15.018 1.00 0.00 N ATOM 374 NH2 ARG A 29 -3.456 5.580 -16.707 1.00 0.00 N ATOM 0 H ARG A 29 -1.122 1.567 -10.981 1.00 0.00 H new ATOM 0 HA ARG A 29 0.652 2.809 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.986 3.910 -11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.183 4.444 -13.115 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.487 2.110 -14.054 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.428 1.709 -12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.040 2.289 -14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.968 3.680 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.172 3.806 -15.568 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.280 4.809 -14.170 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.554 6.036 -15.412 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.581 5.323 -17.163 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.034 6.325 -17.096 1.00 0.00 H new ATOM 388 N PHE A 30 0.102 4.469 -9.891 1.00 0.00 N ATOM 389 CA PHE A 30 0.558 5.554 -8.999 1.00 0.00 C ATOM 390 C PHE A 30 2.044 5.389 -8.623 1.00 0.00 C ATOM 391 O PHE A 30 2.770 6.375 -8.464 1.00 0.00 O ATOM 392 CB PHE A 30 -0.333 5.581 -7.722 1.00 0.00 C ATOM 393 CG PHE A 30 -0.032 6.743 -6.771 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.515 8.018 -7.040 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.752 6.566 -5.631 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.231 9.072 -6.199 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.043 7.624 -4.793 1.00 0.00 C ATOM 398 CZ PHE A 30 0.548 8.876 -5.080 1.00 0.00 C ATOM 0 H PHE A 30 -0.653 3.908 -9.497 1.00 0.00 H new ATOM 0 HA PHE A 30 0.463 6.502 -9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.379 5.635 -8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.204 4.642 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.120 8.185 -7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.138 5.584 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.621 10.055 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.656 7.470 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.771 9.706 -4.426 1.00 0.00 H new ATOM 408 N PHE A 31 2.482 4.130 -8.492 1.00 0.00 N ATOM 409 CA PHE A 31 3.856 3.781 -8.105 1.00 0.00 C ATOM 410 C PHE A 31 4.652 3.198 -9.293 1.00 0.00 C ATOM 411 O PHE A 31 5.643 2.494 -9.073 1.00 0.00 O ATOM 412 CB PHE A 31 3.826 2.783 -6.904 1.00 0.00 C ATOM 413 CG PHE A 31 3.334 3.383 -5.585 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.081 4.357 -4.929 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.143 2.976 -5.000 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.651 4.902 -3.735 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.714 3.518 -3.808 1.00 0.00 C ATOM 418 CZ PHE A 31 2.467 4.484 -3.177 1.00 0.00 C ATOM 0 H PHE A 31 1.887 3.317 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 31 4.369 4.692 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.185 1.941 -7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.830 2.386 -6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.012 4.692 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.543 2.222 -5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.245 5.656 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.786 3.185 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.127 4.912 -2.245 1.00 0.00 H new ATOM 428 N SER A 32 4.267 3.533 -10.552 1.00 0.00 N ATOM 429 CA SER A 32 4.965 3.014 -11.753 1.00 0.00 C ATOM 430 C SER A 32 6.325 3.741 -11.898 1.00 0.00 C ATOM 431 O SER A 32 6.423 4.798 -12.545 1.00 0.00 O ATOM 432 CB SER A 32 4.082 3.176 -13.018 1.00 0.00 C ATOM 433 OG SER A 32 3.721 4.528 -13.245 1.00 0.00 O ATOM 0 H SER A 32 3.485 4.154 -10.759 1.00 0.00 H new ATOM 0 HA SER A 32 5.152 1.946 -11.638 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.619 2.794 -13.886 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.180 2.573 -12.910 1.00 0.00 H new ATOM 0 HG SER A 32 3.032 4.795 -12.601 1.00 0.00 H new ATOM 439 N ASP A 33 7.358 3.139 -11.280 1.00 0.00 N ATOM 440 CA ASP A 33 8.631 3.795 -10.924 1.00 0.00 C ATOM 441 C ASP A 33 9.364 2.871 -9.945 1.00 0.00 C ATOM 442 O ASP A 33 10.518 2.509 -10.156 1.00 0.00 O ATOM 443 CB ASP A 33 8.416 5.194 -10.267 1.00 0.00 C ATOM 444 CG ASP A 33 9.727 5.919 -9.920 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.452 6.311 -10.850 1.00 0.00 O ATOM 446 OD2 ASP A 33 10.026 6.104 -8.720 1.00 0.00 O ATOM 0 H ASP A 33 7.330 2.157 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 33 9.210 3.962 -11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.833 5.819 -10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.826 5.073 -9.358 1.00 0.00 H new ATOM 451 N CYS A 34 8.645 2.498 -8.870 1.00 0.00 N ATOM 452 CA CYS A 34 9.099 1.480 -7.902 1.00 0.00 C ATOM 453 C CYS A 34 8.912 0.073 -8.514 1.00 0.00 C ATOM 454 O CYS A 34 8.523 -0.061 -9.674 1.00 0.00 O ATOM 455 CB CYS A 34 8.325 1.608 -6.568 1.00 0.00 C ATOM 456 SG CYS A 34 6.615 1.052 -6.657 1.00 0.00 S ATOM 0 H CYS A 34 7.732 2.894 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 34 10.156 1.637 -7.686 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.844 1.032 -5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.341 2.650 -6.249 1.00 0.00 H new ATOM 0 HG CYS A 34 6.114 1.373 -7.813 1.00 0.00 H new ATOM 462 N LYS A 35 9.189 -0.977 -7.735 1.00 0.00 N ATOM 463 CA LYS A 35 9.023 -2.380 -8.164 1.00 0.00 C ATOM 464 C LYS A 35 8.214 -3.077 -7.089 1.00 0.00 C ATOM 465 O LYS A 35 8.757 -3.462 -6.048 1.00 0.00 O ATOM 466 CB LYS A 35 10.389 -3.105 -8.379 1.00 0.00 C ATOM 467 CG LYS A 35 11.294 -2.467 -9.445 1.00 0.00 C ATOM 468 CD LYS A 35 10.688 -2.504 -10.868 1.00 0.00 C ATOM 469 CE LYS A 35 11.545 -1.729 -11.883 1.00 0.00 C ATOM 470 NZ LYS A 35 12.958 -2.197 -11.899 1.00 0.00 N ATOM 0 H LYS A 35 9.538 -0.883 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 35 8.516 -2.409 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.927 -3.126 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.195 -4.140 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.493 -1.431 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.253 -2.984 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.590 -3.540 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.684 -2.081 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.116 -1.841 -12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.519 -0.666 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.465 -1.745 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.418 -1.944 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.980 -3.230 -12.020 1.00 0.00 H new ATOM 484 N ILE A 36 6.899 -3.163 -7.307 1.00 0.00 N ATOM 485 CA ILE A 36 5.992 -3.798 -6.354 1.00 0.00 C ATOM 486 C ILE A 36 6.138 -5.322 -6.475 1.00 0.00 C ATOM 487 O ILE A 36 6.271 -5.851 -7.587 1.00 0.00 O ATOM 488 CB ILE A 36 4.503 -3.341 -6.574 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.431 -1.779 -6.701 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.603 -3.842 -5.422 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.044 -1.203 -6.958 1.00 0.00 C ATOM 0 H ILE A 36 6.439 -2.798 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 36 6.260 -3.488 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 36 4.136 -3.780 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.823 -1.339 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.090 -1.467 -7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.577 -3.515 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.635 -4.931 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.961 -3.434 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.108 -0.117 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.651 -1.605 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.380 -1.475 -6.138 1.00 0.00 H new ATOM 503 N GLN A 37 6.136 -6.002 -5.320 1.00 0.00 N ATOM 504 CA GLN A 37 6.457 -7.425 -5.209 1.00 0.00 C ATOM 505 C GLN A 37 5.386 -8.274 -5.929 1.00 0.00 C ATOM 506 O GLN A 37 4.245 -8.323 -5.473 1.00 0.00 O ATOM 507 CB GLN A 37 6.561 -7.819 -3.703 1.00 0.00 C ATOM 508 CG GLN A 37 7.513 -8.988 -3.411 1.00 0.00 C ATOM 509 CD GLN A 37 8.976 -8.615 -3.638 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.517 -8.784 -4.728 1.00 0.00 O ATOM 511 NE2 GLN A 37 9.614 -8.061 -2.614 1.00 0.00 N ATOM 0 H GLN A 37 5.907 -5.569 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 37 7.416 -7.618 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.891 -6.949 -3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.567 -8.078 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.379 -9.313 -2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.253 -9.833 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.135 -7.935 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.583 -7.761 -2.719 1.00 0.00 H new ATOM 520 N ASN A 38 5.768 -8.898 -7.068 1.00 0.00 N ATOM 521 CA ASN A 38 4.842 -9.665 -7.945 1.00 0.00 C ATOM 522 C ASN A 38 3.698 -8.759 -8.483 1.00 0.00 C ATOM 523 O ASN A 38 2.579 -9.226 -8.764 1.00 0.00 O ATOM 524 CB ASN A 38 4.308 -10.930 -7.197 1.00 0.00 C ATOM 525 CG ASN A 38 5.400 -11.936 -6.799 1.00 0.00 C ATOM 526 OD1 ASN A 38 6.389 -12.124 -7.513 1.00 0.00 O ATOM 527 ND2 ASN A 38 5.228 -12.575 -5.651 1.00 0.00 N ATOM 0 H ASN A 38 6.729 -8.886 -7.409 1.00 0.00 H new ATOM 0 HA ASN A 38 5.392 -10.015 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.779 -10.611 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.580 -11.434 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.926 -13.247 -5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.398 -12.395 -5.086 1.00 0.00 H new ATOM 534 N GLY A 39 4.033 -7.462 -8.671 1.00 0.00 N ATOM 535 CA GLY A 39 3.089 -6.455 -9.152 1.00 0.00 C ATOM 536 C GLY A 39 1.922 -6.236 -8.193 1.00 0.00 C ATOM 537 O GLY A 39 2.140 -5.993 -7.003 1.00 0.00 O ATOM 0 H GLY A 39 4.967 -7.095 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.614 -5.512 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.703 -6.760 -10.124 1.00 0.00 H new ATOM 541 N ALA A 40 0.685 -6.372 -8.703 1.00 0.00 N ATOM 542 CA ALA A 40 -0.560 -6.243 -7.907 1.00 0.00 C ATOM 543 C ALA A 40 -0.604 -7.179 -6.677 1.00 0.00 C ATOM 544 O ALA A 40 -1.308 -6.893 -5.695 1.00 0.00 O ATOM 545 CB ALA A 40 -1.770 -6.511 -8.821 1.00 0.00 C ATOM 0 H ALA A 40 0.514 -6.576 -9.688 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.589 -5.227 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.690 -6.418 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.778 -5.787 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.700 -7.518 -9.232 1.00 0.00 H new ATOM 551 N GLN A 41 0.157 -8.285 -6.737 1.00 0.00 N ATOM 552 CA GLN A 41 0.155 -9.313 -5.677 1.00 0.00 C ATOM 553 C GLN A 41 0.851 -8.816 -4.382 1.00 0.00 C ATOM 554 O GLN A 41 0.673 -9.405 -3.311 1.00 0.00 O ATOM 555 CB GLN A 41 0.819 -10.619 -6.189 1.00 0.00 C ATOM 556 CG GLN A 41 0.414 -11.894 -5.423 1.00 0.00 C ATOM 557 CD GLN A 41 -1.028 -12.329 -5.711 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.988 -11.688 -5.075 1.00 0.00 O flip ATOM 559 NE2 GLN A 41 -1.274 -13.176 -6.564 1.00 0.00 N flip ATOM 0 H GLN A 41 0.786 -8.492 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.885 -9.520 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.567 -10.749 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.902 -10.506 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.093 -12.704 -5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.529 -11.721 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.511 -13.657 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.242 -13.399 -6.797 1.00 0.00 H new ATOM 568 N GLY A 42 1.655 -7.748 -4.503 1.00 0.00 N ATOM 569 CA GLY A 42 2.294 -7.100 -3.354 1.00 0.00 C ATOM 570 C GLY A 42 1.405 -6.044 -2.707 1.00 0.00 C ATOM 571 O GLY A 42 1.632 -5.652 -1.562 1.00 0.00 O ATOM 0 H GLY A 42 1.878 -7.313 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.552 -7.856 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.227 -6.637 -3.675 1.00 0.00 H new ATOM 575 N ILE A 43 0.383 -5.582 -3.448 1.00 0.00 N ATOM 576 CA ILE A 43 -0.535 -4.527 -2.989 1.00 0.00 C ATOM 577 C ILE A 43 -1.669 -5.154 -2.148 1.00 0.00 C ATOM 578 O ILE A 43 -2.525 -5.888 -2.659 1.00 0.00 O ATOM 579 CB ILE A 43 -1.104 -3.724 -4.211 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.073 -3.219 -5.104 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.001 -2.552 -3.745 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.334 -2.574 -6.414 1.00 0.00 C ATOM 0 H ILE A 43 0.171 -5.930 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 43 0.010 -3.823 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.731 -4.389 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.658 -2.500 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.729 -4.062 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.380 -2.015 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.838 -2.942 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.418 -1.872 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.557 -2.259 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.891 -3.292 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.962 -1.706 -6.213 1.00 0.00 H new ATOM 594 N ARG A 44 -1.619 -4.867 -0.842 1.00 0.00 N ATOM 595 CA ARG A 44 -2.465 -5.508 0.186 1.00 0.00 C ATOM 596 C ARG A 44 -3.263 -4.452 0.962 1.00 0.00 C ATOM 597 O ARG A 44 -2.740 -3.813 1.868 1.00 0.00 O ATOM 598 CB ARG A 44 -1.577 -6.386 1.139 1.00 0.00 C ATOM 599 CG ARG A 44 -1.555 -7.898 0.802 1.00 0.00 C ATOM 600 CD ARG A 44 -0.981 -8.210 -0.588 1.00 0.00 C ATOM 601 NE ARG A 44 -1.271 -9.592 -1.001 1.00 0.00 N ATOM 602 CZ ARG A 44 -2.097 -9.939 -2.006 1.00 0.00 C ATOM 603 NH1 ARG A 44 -2.669 -9.011 -2.780 1.00 0.00 N ATOM 604 NH2 ARG A 44 -2.339 -11.220 -2.243 1.00 0.00 N ATOM 0 H ARG A 44 -0.980 -4.171 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.186 -6.165 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.555 -6.007 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.934 -6.262 2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.965 -8.421 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.570 -8.290 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.399 -7.517 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.097 -8.052 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.812 -10.344 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.482 -8.022 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.292 -9.292 -3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.900 -11.937 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.964 -11.489 -3.003 1.00 0.00 H new ATOM 618 N PHE A 45 -4.538 -4.281 0.591 1.00 0.00 N ATOM 619 CA PHE A 45 -5.434 -3.291 1.225 1.00 0.00 C ATOM 620 C PHE A 45 -5.946 -3.818 2.573 1.00 0.00 C ATOM 621 O PHE A 45 -6.262 -5.008 2.690 1.00 0.00 O ATOM 622 CB PHE A 45 -6.637 -2.965 0.306 1.00 0.00 C ATOM 623 CG PHE A 45 -6.239 -2.479 -1.089 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.002 -1.125 -1.339 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.084 -3.378 -2.145 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.632 -0.690 -2.597 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.716 -2.939 -3.402 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.489 -1.594 -3.624 1.00 0.00 C ATOM 0 H PHE A 45 -4.981 -4.820 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.861 -2.379 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.257 -3.856 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.251 -2.202 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.109 -0.409 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.254 -4.431 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.455 0.361 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.606 -3.646 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.199 -1.252 -4.606 1.00 0.00 H new ATOM 638 N ILE A 46 -6.004 -2.944 3.593 1.00 0.00 N ATOM 639 CA ILE A 46 -6.669 -3.271 4.864 1.00 0.00 C ATOM 640 C ILE A 46 -8.181 -3.193 4.625 1.00 0.00 C ATOM 641 O ILE A 46 -8.732 -2.099 4.536 1.00 0.00 O ATOM 642 CB ILE A 46 -6.256 -2.281 6.020 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.704 -2.185 6.152 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.905 -2.685 7.366 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.209 -1.135 7.151 1.00 0.00 C ATOM 0 H ILE A 46 -5.599 -2.008 3.561 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.367 -4.269 5.182 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.631 -1.292 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.318 -3.160 6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.283 -1.961 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.600 -1.983 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.990 -2.667 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.582 -3.690 7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.119 -1.141 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.560 -0.149 6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.595 -1.367 8.144 1.00 0.00 H new ATOM 657 N TYR A 47 -8.822 -4.346 4.414 1.00 0.00 N ATOM 658 CA TYR A 47 -10.275 -4.412 4.205 1.00 0.00 C ATOM 659 C TYR A 47 -11.023 -4.342 5.551 1.00 0.00 C ATOM 660 O TYR A 47 -10.482 -4.726 6.600 1.00 0.00 O ATOM 661 CB TYR A 47 -10.664 -5.687 3.414 1.00 0.00 C ATOM 662 CG TYR A 47 -10.051 -5.749 2.000 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.550 -4.951 0.964 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.962 -6.581 1.710 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.992 -4.988 -0.299 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.401 -6.614 0.447 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.917 -5.818 -0.552 1.00 0.00 C ATOM 668 OH TYR A 47 -8.352 -5.849 -1.811 1.00 0.00 O ATOM 0 H TYR A 47 -8.356 -5.253 4.383 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.573 -3.549 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.346 -6.565 3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.750 -5.736 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.386 -4.295 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.553 -7.209 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.395 -4.369 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.561 -7.262 0.244 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.606 -6.484 -1.819 1.00 0.00 H new ATOM 678 N THR A 48 -12.276 -3.855 5.506 1.00 0.00 N ATOM 679 CA THR A 48 -13.147 -3.738 6.686 1.00 0.00 C ATOM 680 C THR A 48 -13.905 -5.057 6.897 1.00 0.00 C ATOM 681 O THR A 48 -13.671 -6.040 6.180 1.00 0.00 O ATOM 682 CB THR A 48 -14.186 -2.574 6.497 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.983 -2.826 5.327 1.00 0.00 O ATOM 684 CG2 THR A 48 -13.523 -1.192 6.366 1.00 0.00 C ATOM 0 H THR A 48 -12.714 -3.530 4.644 1.00 0.00 H new ATOM 0 HA THR A 48 -12.525 -3.519 7.554 1.00 0.00 H new ATOM 0 HB THR A 48 -14.805 -2.554 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.840 -2.358 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.292 -0.430 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.947 -0.978 7.266 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.860 -1.187 5.501 1.00 0.00 H new ATOM 692 N ARG A 49 -14.852 -5.065 7.849 1.00 0.00 N ATOM 693 CA ARG A 49 -15.743 -6.215 8.074 1.00 0.00 C ATOM 694 C ARG A 49 -16.858 -6.289 7.003 1.00 0.00 C ATOM 695 O ARG A 49 -17.705 -7.189 7.049 1.00 0.00 O ATOM 696 CB ARG A 49 -16.344 -6.158 9.501 1.00 0.00 C ATOM 697 CG ARG A 49 -15.287 -6.228 10.630 1.00 0.00 C ATOM 698 CD ARG A 49 -15.904 -6.435 12.022 1.00 0.00 C ATOM 699 NE ARG A 49 -16.641 -7.709 12.111 1.00 0.00 N ATOM 700 CZ ARG A 49 -16.781 -8.453 13.218 1.00 0.00 C ATOM 701 NH1 ARG A 49 -16.234 -8.079 14.376 1.00 0.00 N ATOM 702 NH2 ARG A 49 -17.476 -9.574 13.153 1.00 0.00 N ATOM 0 H ARG A 49 -15.021 -4.281 8.480 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.149 -7.125 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.915 -5.236 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.046 -6.983 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.595 -7.044 10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.704 -5.307 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.116 -6.418 12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.578 -5.609 12.247 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.082 -8.054 11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.698 -7.213 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.352 -8.659 15.207 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.897 -9.863 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.592 -10.151 13.986 1.00 0.00 H new ATOM 716 N GLU A 50 -16.860 -5.328 6.053 1.00 0.00 N ATOM 717 CA GLU A 50 -17.706 -5.364 4.842 1.00 0.00 C ATOM 718 C GLU A 50 -16.856 -5.812 3.634 1.00 0.00 C ATOM 719 O GLU A 50 -17.398 -6.259 2.615 1.00 0.00 O ATOM 720 CB GLU A 50 -18.334 -3.970 4.524 1.00 0.00 C ATOM 721 CG GLU A 50 -19.074 -3.270 5.687 1.00 0.00 C ATOM 722 CD GLU A 50 -18.128 -2.578 6.682 1.00 0.00 C ATOM 723 OE1 GLU A 50 -17.580 -1.510 6.334 1.00 0.00 O ATOM 724 OE2 GLU A 50 -17.903 -3.112 7.789 1.00 0.00 O ATOM 0 H GLU A 50 -16.269 -4.499 6.107 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.516 -6.068 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.540 -3.309 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.034 -4.091 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.763 -2.531 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.676 -4.006 6.220 1.00 0.00 H new ATOM 731 N GLY A 51 -15.523 -5.662 3.760 1.00 0.00 N ATOM 732 CA GLY A 51 -14.589 -5.910 2.659 1.00 0.00 C ATOM 733 C GLY A 51 -14.342 -4.650 1.839 1.00 0.00 C ATOM 734 O GLY A 51 -14.359 -4.683 0.607 1.00 0.00 O ATOM 0 H GLY A 51 -15.071 -5.367 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.643 -6.276 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.986 -6.693 2.013 1.00 0.00 H new ATOM 738 N ARG A 52 -14.121 -3.531 2.548 1.00 0.00 N ATOM 739 CA ARG A 52 -13.899 -2.195 1.947 1.00 0.00 C ATOM 740 C ARG A 52 -12.490 -1.689 2.336 1.00 0.00 C ATOM 741 O ARG A 52 -12.083 -1.892 3.482 1.00 0.00 O ATOM 742 CB ARG A 52 -14.976 -1.179 2.448 1.00 0.00 C ATOM 743 CG ARG A 52 -16.436 -1.590 2.156 1.00 0.00 C ATOM 744 CD ARG A 52 -17.473 -0.587 2.698 1.00 0.00 C ATOM 745 NE ARG A 52 -18.856 -1.081 2.505 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.962 -0.501 2.988 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.897 0.644 3.643 1.00 0.00 N ATOM 748 NH2 ARG A 52 -21.139 -1.072 2.790 1.00 0.00 N ATOM 0 H ARG A 52 -14.090 -3.523 3.567 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.979 -2.279 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.858 -1.046 3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.786 -0.211 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.569 -1.692 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.625 -2.570 2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.292 -0.412 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.353 0.371 2.192 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.976 -1.934 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.995 1.099 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.748 1.074 4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.200 -1.949 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.985 -0.636 3.155 1.00 0.00 H new ATOM 762 N PRO A 53 -11.714 -1.047 1.397 1.00 0.00 N ATOM 763 CA PRO A 53 -10.436 -0.373 1.739 1.00 0.00 C ATOM 764 C PRO A 53 -10.633 0.651 2.878 1.00 0.00 C ATOM 765 O PRO A 53 -11.422 1.589 2.741 1.00 0.00 O ATOM 766 CB PRO A 53 -10.022 0.326 0.412 1.00 0.00 C ATOM 767 CG PRO A 53 -10.686 -0.487 -0.653 1.00 0.00 C ATOM 768 CD PRO A 53 -12.005 -0.944 -0.059 1.00 0.00 C ATOM 0 HA PRO A 53 -9.677 -1.065 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.356 1.363 0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.939 0.336 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.847 0.105 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.069 -1.339 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.804 -0.230 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.322 -1.901 -0.474 1.00 0.00 H new ATOM 776 N SER A 54 -9.912 0.461 3.991 1.00 0.00 N ATOM 777 CA SER A 54 -10.048 1.278 5.214 1.00 0.00 C ATOM 778 C SER A 54 -9.237 2.592 5.128 1.00 0.00 C ATOM 779 O SER A 54 -8.853 3.162 6.157 1.00 0.00 O ATOM 780 CB SER A 54 -9.593 0.436 6.431 1.00 0.00 C ATOM 781 OG SER A 54 -10.299 -0.794 6.496 1.00 0.00 O ATOM 0 H SER A 54 -9.208 -0.272 4.073 1.00 0.00 H new ATOM 0 HA SER A 54 -11.094 1.562 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.523 0.241 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.756 1.001 7.349 1.00 0.00 H new ATOM 0 HG SER A 54 -9.916 -1.425 5.852 1.00 0.00 H new ATOM 787 N GLY A 55 -8.987 3.073 3.891 1.00 0.00 N ATOM 788 CA GLY A 55 -8.202 4.279 3.647 1.00 0.00 C ATOM 789 C GLY A 55 -6.708 3.988 3.523 1.00 0.00 C ATOM 790 O GLY A 55 -6.001 4.653 2.758 1.00 0.00 O ATOM 0 H GLY A 55 -9.329 2.628 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.553 4.758 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.365 4.986 4.461 1.00 0.00 H new ATOM 794 N GLU A 56 -6.244 2.974 4.287 1.00 0.00 N ATOM 795 CA GLU A 56 -4.839 2.546 4.342 1.00 0.00 C ATOM 796 C GLU A 56 -4.666 1.158 3.700 1.00 0.00 C ATOM 797 O GLU A 56 -5.606 0.346 3.625 1.00 0.00 O ATOM 798 CB GLU A 56 -4.337 2.511 5.815 1.00 0.00 C ATOM 799 CG GLU A 56 -4.423 3.857 6.554 1.00 0.00 C ATOM 800 CD GLU A 56 -3.895 3.782 7.997 1.00 0.00 C ATOM 801 OE1 GLU A 56 -4.599 3.224 8.871 1.00 0.00 O ATOM 802 OE2 GLU A 56 -2.767 4.253 8.266 1.00 0.00 O ATOM 0 H GLU A 56 -6.852 2.423 4.893 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.245 3.268 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.919 1.772 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.301 2.172 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.854 4.606 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.460 4.192 6.569 1.00 0.00 H new ATOM 809 N ALA A 57 -3.436 0.917 3.258 1.00 0.00 N ATOM 810 CA ALA A 57 -2.983 -0.340 2.662 1.00 0.00 C ATOM 811 C ALA A 57 -1.486 -0.508 2.928 1.00 0.00 C ATOM 812 O ALA A 57 -0.834 0.401 3.431 1.00 0.00 O ATOM 813 CB ALA A 57 -3.263 -0.349 1.152 1.00 0.00 C ATOM 0 H ALA A 57 -2.697 1.618 3.306 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.527 -1.171 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.920 -1.291 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.334 -0.241 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.734 0.478 0.679 1.00 0.00 H new ATOM 819 N PHE A 58 -0.962 -1.694 2.645 1.00 0.00 N ATOM 820 CA PHE A 58 0.476 -1.966 2.633 1.00 0.00 C ATOM 821 C PHE A 58 0.888 -2.478 1.247 1.00 0.00 C ATOM 822 O PHE A 58 0.431 -3.537 0.807 1.00 0.00 O ATOM 823 CB PHE A 58 0.828 -3.016 3.705 1.00 0.00 C ATOM 824 CG PHE A 58 0.488 -2.604 5.136 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.336 -1.760 5.846 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.670 -3.059 5.765 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.045 -1.387 7.143 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.957 -2.683 7.060 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.101 -1.844 7.746 1.00 0.00 C ATOM 0 H PHE A 58 -1.530 -2.509 2.413 1.00 0.00 H new ATOM 0 HA PHE A 58 1.015 -1.045 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.303 -3.942 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.895 -3.231 3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.235 -1.391 5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.347 -3.711 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.718 -0.737 7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.854 -3.046 7.540 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.333 -1.547 8.758 1.00 0.00 H new ATOM 839 N VAL A 59 1.731 -1.704 0.563 1.00 0.00 N ATOM 840 CA VAL A 59 2.299 -2.067 -0.735 1.00 0.00 C ATOM 841 C VAL A 59 3.724 -2.568 -0.499 1.00 0.00 C ATOM 842 O VAL A 59 4.600 -1.808 -0.075 1.00 0.00 O ATOM 843 CB VAL A 59 2.269 -0.837 -1.717 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.028 -1.111 -3.038 1.00 0.00 C ATOM 845 CG2 VAL A 59 0.804 -0.411 -1.994 1.00 0.00 C ATOM 0 H VAL A 59 2.043 -0.793 0.901 1.00 0.00 H new ATOM 0 HA VAL A 59 1.710 -2.855 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 59 2.792 -0.016 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.975 -0.230 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.071 -1.338 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.573 -1.959 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.795 0.441 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.263 -1.242 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.323 -0.132 -1.057 1.00 0.00 H new ATOM 855 N GLU A 60 3.923 -3.865 -0.742 1.00 0.00 N ATOM 856 CA GLU A 60 5.210 -4.536 -0.571 1.00 0.00 C ATOM 857 C GLU A 60 6.053 -4.327 -1.832 1.00 0.00 C ATOM 858 O GLU A 60 5.533 -4.352 -2.947 1.00 0.00 O ATOM 859 CB GLU A 60 4.991 -6.041 -0.276 1.00 0.00 C ATOM 860 CG GLU A 60 6.285 -6.840 -0.019 1.00 0.00 C ATOM 861 CD GLU A 60 6.039 -8.321 0.325 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.575 -9.079 -0.555 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.293 -8.733 1.477 1.00 0.00 O ATOM 0 H GLU A 60 3.183 -4.486 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 60 5.744 -4.110 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.342 -6.136 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.464 -6.490 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.919 -6.782 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.834 -6.372 0.798 1.00 0.00 H new ATOM 870 N LEU A 61 7.353 -4.133 -1.631 1.00 0.00 N ATOM 871 CA LEU A 61 8.287 -3.684 -2.675 1.00 0.00 C ATOM 872 C LEU A 61 9.534 -4.575 -2.689 1.00 0.00 C ATOM 873 O LEU A 61 9.777 -5.348 -1.755 1.00 0.00 O ATOM 874 CB LEU A 61 8.635 -2.182 -2.447 1.00 0.00 C ATOM 875 CG LEU A 61 7.410 -1.201 -2.532 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.722 0.164 -1.917 1.00 0.00 C ATOM 877 CD2 LEU A 61 6.898 -1.051 -3.984 1.00 0.00 C ATOM 0 H LEU A 61 7.800 -4.284 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 61 7.821 -3.773 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.100 -2.076 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.377 -1.879 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 61 6.611 -1.649 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.847 0.808 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.984 0.038 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.558 0.619 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.051 -0.365 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.697 -0.658 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.585 -2.024 -4.362 1.00 0.00 H new ATOM 889 N GLU A 62 10.298 -4.459 -3.778 1.00 0.00 N ATOM 890 CA GLU A 62 11.458 -5.318 -4.059 1.00 0.00 C ATOM 891 C GLU A 62 12.611 -5.096 -3.057 1.00 0.00 C ATOM 892 O GLU A 62 13.227 -6.061 -2.583 1.00 0.00 O ATOM 893 CB GLU A 62 11.932 -5.071 -5.507 1.00 0.00 C ATOM 894 CG GLU A 62 13.086 -5.981 -5.973 1.00 0.00 C ATOM 895 CD GLU A 62 13.469 -5.762 -7.444 1.00 0.00 C ATOM 896 OE1 GLU A 62 12.845 -6.392 -8.334 1.00 0.00 O ATOM 897 OE2 GLU A 62 14.382 -4.959 -7.717 1.00 0.00 O ATOM 0 H GLU A 62 10.129 -3.758 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 62 11.148 -6.357 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.086 -5.208 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.248 -4.032 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.959 -5.801 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.800 -7.023 -5.829 1.00 0.00 H new ATOM 904 N SER A 63 12.844 -3.828 -2.689 1.00 0.00 N ATOM 905 CA SER A 63 13.991 -3.438 -1.856 1.00 0.00 C ATOM 906 C SER A 63 13.781 -2.017 -1.296 1.00 0.00 C ATOM 907 O SER A 63 12.793 -1.345 -1.642 1.00 0.00 O ATOM 908 CB SER A 63 15.320 -3.557 -2.645 1.00 0.00 C ATOM 909 OG SER A 63 16.439 -3.448 -1.783 1.00 0.00 O ATOM 0 H SER A 63 12.246 -3.047 -2.959 1.00 0.00 H new ATOM 0 HA SER A 63 14.061 -4.125 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.352 -4.513 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.366 -2.777 -3.405 1.00 0.00 H new ATOM 0 HG SER A 63 17.264 -3.528 -2.306 1.00 0.00 H new ATOM 915 N GLU A 64 14.718 -1.581 -0.422 1.00 0.00 N ATOM 916 CA GLU A 64 14.641 -0.295 0.306 1.00 0.00 C ATOM 917 C GLU A 64 14.603 0.919 -0.641 1.00 0.00 C ATOM 918 O GLU A 64 14.072 1.970 -0.280 1.00 0.00 O ATOM 919 CB GLU A 64 15.839 -0.154 1.291 1.00 0.00 C ATOM 920 CG GLU A 64 17.151 0.357 0.658 1.00 0.00 C ATOM 921 CD GLU A 64 18.319 0.492 1.646 1.00 0.00 C ATOM 922 OE1 GLU A 64 18.375 1.511 2.376 1.00 0.00 O ATOM 923 OE2 GLU A 64 19.173 -0.414 1.700 1.00 0.00 O ATOM 0 H GLU A 64 15.556 -2.118 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 64 13.705 -0.306 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.552 0.526 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.029 -1.125 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.444 -0.323 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.965 1.328 0.199 1.00 0.00 H new ATOM 930 N ASP A 65 15.196 0.762 -1.835 1.00 0.00 N ATOM 931 CA ASP A 65 15.255 1.839 -2.840 1.00 0.00 C ATOM 932 C ASP A 65 13.854 2.096 -3.398 1.00 0.00 C ATOM 933 O ASP A 65 13.405 3.235 -3.448 1.00 0.00 O ATOM 934 CB ASP A 65 16.217 1.490 -3.997 1.00 0.00 C ATOM 935 CG ASP A 65 16.350 2.615 -5.039 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.160 3.540 -4.825 1.00 0.00 O ATOM 937 OD2 ASP A 65 15.650 2.580 -6.073 1.00 0.00 O ATOM 0 H ASP A 65 15.644 -0.105 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 65 15.634 2.735 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.202 1.266 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.865 0.585 -4.492 1.00 0.00 H new ATOM 942 N GLU A 66 13.199 1.005 -3.829 1.00 0.00 N ATOM 943 CA GLU A 66 11.779 0.998 -4.262 1.00 0.00 C ATOM 944 C GLU A 66 10.861 1.643 -3.208 1.00 0.00 C ATOM 945 O GLU A 66 9.878 2.318 -3.550 1.00 0.00 O ATOM 946 CB GLU A 66 11.306 -0.451 -4.561 1.00 0.00 C ATOM 947 CG GLU A 66 11.890 -1.071 -5.849 1.00 0.00 C ATOM 948 CD GLU A 66 13.417 -1.206 -5.898 1.00 0.00 C ATOM 949 OE1 GLU A 66 13.997 -1.732 -4.936 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.036 -0.787 -6.897 1.00 0.00 O ATOM 0 H GLU A 66 13.641 0.088 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 66 11.714 1.591 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.572 -1.086 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.218 -0.455 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.453 -2.061 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.571 -0.465 -6.697 1.00 0.00 H new ATOM 957 N VAL A 67 11.189 1.395 -1.932 1.00 0.00 N ATOM 958 CA VAL A 67 10.533 2.039 -0.777 1.00 0.00 C ATOM 959 C VAL A 67 10.698 3.564 -0.819 1.00 0.00 C ATOM 960 O VAL A 67 9.717 4.279 -0.728 1.00 0.00 O ATOM 961 CB VAL A 67 11.076 1.447 0.580 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.656 2.284 1.823 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.646 -0.031 0.722 1.00 0.00 C ATOM 0 H VAL A 67 11.922 0.737 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 67 9.466 1.822 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 67 12.164 1.499 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.061 1.824 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.044 3.298 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.568 2.317 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.025 -0.432 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.558 -0.096 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.051 -0.609 -0.109 1.00 0.00 H new ATOM 973 N LYS A 68 11.944 4.035 -0.957 1.00 0.00 N ATOM 974 CA LYS A 68 12.270 5.484 -1.072 1.00 0.00 C ATOM 975 C LYS A 68 11.536 6.150 -2.263 1.00 0.00 C ATOM 976 O LYS A 68 11.055 7.277 -2.140 1.00 0.00 O ATOM 977 CB LYS A 68 13.804 5.664 -1.193 1.00 0.00 C ATOM 978 CG LYS A 68 14.576 5.101 0.021 1.00 0.00 C ATOM 979 CD LYS A 68 16.096 4.948 -0.223 1.00 0.00 C ATOM 980 CE LYS A 68 16.793 4.227 0.946 1.00 0.00 C ATOM 981 NZ LYS A 68 18.230 3.966 0.679 1.00 0.00 N ATOM 0 H LYS A 68 12.764 3.430 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 68 11.921 5.985 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.152 5.168 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.032 6.724 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.419 5.758 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.160 4.129 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.262 4.390 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.543 5.933 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.699 4.831 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.286 3.282 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.525 3.103 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.376 3.840 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.797 4.771 1.013 1.00 0.00 H new ATOM 995 N LEU A 69 11.453 5.433 -3.401 1.00 0.00 N ATOM 996 CA LEU A 69 10.699 5.870 -4.606 1.00 0.00 C ATOM 997 C LEU A 69 9.208 6.099 -4.263 1.00 0.00 C ATOM 998 O LEU A 69 8.604 7.102 -4.664 1.00 0.00 O ATOM 999 CB LEU A 69 10.829 4.808 -5.738 1.00 0.00 C ATOM 1000 CG LEU A 69 12.282 4.477 -6.223 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.292 3.350 -7.278 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.011 5.734 -6.742 1.00 0.00 C ATOM 0 H LEU A 69 11.908 4.528 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 69 11.124 6.812 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.366 3.884 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.253 5.153 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 69 12.831 4.115 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.318 3.151 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.861 2.446 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.704 3.656 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.015 5.463 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.457 6.155 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.076 6.473 -5.943 1.00 0.00 H new ATOM 1014 N ALA A 70 8.658 5.133 -3.521 1.00 0.00 N ATOM 1015 CA ALA A 70 7.270 5.168 -3.020 1.00 0.00 C ATOM 1016 C ALA A 70 7.043 6.364 -2.060 1.00 0.00 C ATOM 1017 O ALA A 70 6.052 7.088 -2.192 1.00 0.00 O ATOM 1018 CB ALA A 70 6.924 3.840 -2.329 1.00 0.00 C ATOM 0 H ALA A 70 9.166 4.292 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 70 6.605 5.304 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.898 3.877 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.026 3.022 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.602 3.678 -1.491 1.00 0.00 H new ATOM 1024 N LEU A 71 7.973 6.544 -1.098 1.00 0.00 N ATOM 1025 CA LEU A 71 7.943 7.635 -0.083 1.00 0.00 C ATOM 1026 C LEU A 71 7.930 9.024 -0.730 1.00 0.00 C ATOM 1027 O LEU A 71 7.264 9.924 -0.249 1.00 0.00 O ATOM 1028 CB LEU A 71 9.170 7.529 0.861 1.00 0.00 C ATOM 1029 CG LEU A 71 9.285 6.231 1.705 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.618 6.202 2.484 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.065 6.054 2.632 1.00 0.00 C ATOM 0 H LEU A 71 8.781 5.929 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 71 7.021 7.513 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.073 7.625 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.150 8.379 1.543 1.00 0.00 H new ATOM 0 HG LEU A 71 9.287 5.380 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.678 5.284 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.451 6.240 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.668 7.062 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.177 5.136 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.998 6.904 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.157 5.997 2.032 1.00 0.00 H new ATOM 1043 N LYS A 72 8.668 9.169 -1.840 1.00 0.00 N ATOM 1044 CA LYS A 72 8.799 10.464 -2.549 1.00 0.00 C ATOM 1045 C LYS A 72 7.499 10.849 -3.299 1.00 0.00 C ATOM 1046 O LYS A 72 7.418 11.936 -3.879 1.00 0.00 O ATOM 1047 CB LYS A 72 10.013 10.432 -3.510 1.00 0.00 C ATOM 1048 CG LYS A 72 11.382 10.365 -2.794 1.00 0.00 C ATOM 1049 CD LYS A 72 12.583 10.387 -3.772 1.00 0.00 C ATOM 1050 CE LYS A 72 12.594 9.187 -4.738 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.725 9.234 -5.699 1.00 0.00 N ATOM 0 H LYS A 72 9.188 8.406 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 72 8.971 11.237 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.918 9.570 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.988 11.321 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.467 11.206 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.427 9.456 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.557 11.311 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.511 10.394 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.650 8.263 -4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.655 9.162 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.575 8.527 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.780 10.181 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.614 9.027 -5.200 1.00 0.00 H new ATOM 1065 N LYS A 73 6.512 9.936 -3.305 1.00 0.00 N ATOM 1066 CA LYS A 73 5.151 10.183 -3.835 1.00 0.00 C ATOM 1067 C LYS A 73 4.125 10.516 -2.722 1.00 0.00 C ATOM 1068 O LYS A 73 2.926 10.597 -3.014 1.00 0.00 O ATOM 1069 CB LYS A 73 4.699 8.938 -4.646 1.00 0.00 C ATOM 1070 CG LYS A 73 5.613 8.636 -5.851 1.00 0.00 C ATOM 1071 CD LYS A 73 5.365 7.243 -6.463 1.00 0.00 C ATOM 1072 CE LYS A 73 6.292 6.936 -7.647 1.00 0.00 C ATOM 1073 NZ LYS A 73 7.727 7.107 -7.296 1.00 0.00 N ATOM 0 H LYS A 73 6.634 8.992 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 73 5.191 11.061 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.679 8.070 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.680 9.093 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.458 9.396 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.654 8.708 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.504 6.484 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.328 7.176 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.122 5.914 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.043 7.592 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.299 6.419 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.031 8.071 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.856 6.950 -6.276 1.00 0.00 H new ATOM 1087 N ASP A 74 4.587 10.744 -1.455 1.00 0.00 N ATOM 1088 CA ASP A 74 3.690 11.124 -0.314 1.00 0.00 C ATOM 1089 C ASP A 74 3.028 12.529 -0.452 1.00 0.00 C ATOM 1090 O ASP A 74 2.412 13.009 0.495 1.00 0.00 O ATOM 1091 CB ASP A 74 4.444 11.012 1.059 1.00 0.00 C ATOM 1092 CG ASP A 74 5.338 12.228 1.415 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.488 12.303 0.947 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.885 13.125 2.167 1.00 0.00 O ATOM 0 H ASP A 74 5.571 10.672 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 74 2.873 10.403 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.708 10.877 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.064 10.116 1.044 1.00 0.00 H new ATOM 1099 N ARG A 75 3.139 13.167 -1.623 1.00 0.00 N ATOM 1100 CA ARG A 75 2.476 14.463 -1.911 1.00 0.00 C ATOM 1101 C ARG A 75 1.574 14.350 -3.145 1.00 0.00 C ATOM 1102 O ARG A 75 0.652 15.157 -3.323 1.00 0.00 O ATOM 1103 CB ARG A 75 3.529 15.584 -2.099 1.00 0.00 C ATOM 1104 CG ARG A 75 4.313 15.936 -0.815 1.00 0.00 C ATOM 1105 CD ARG A 75 5.410 16.979 -1.067 1.00 0.00 C ATOM 1106 NE ARG A 75 4.868 18.234 -1.610 1.00 0.00 N ATOM 1107 CZ ARG A 75 5.573 19.341 -1.855 1.00 0.00 C ATOM 1108 NH1 ARG A 75 6.871 19.407 -1.577 1.00 0.00 N ATOM 1109 NH2 ARG A 75 4.962 20.371 -2.406 1.00 0.00 N ATOM 0 H ARG A 75 3.689 12.807 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 75 1.849 14.723 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.235 15.278 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.028 16.481 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.621 16.315 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.763 15.031 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.934 17.185 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.144 16.571 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 75 3.870 18.261 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.347 18.602 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.391 20.262 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.970 20.312 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.481 21.227 -2.602 1.00 0.00 H new ATOM 1123 N GLU A 76 1.872 13.366 -4.006 1.00 0.00 N ATOM 1124 CA GLU A 76 1.081 13.081 -5.209 1.00 0.00 C ATOM 1125 C GLU A 76 -0.375 12.665 -4.869 1.00 0.00 C ATOM 1126 O GLU A 76 -0.654 12.061 -3.823 1.00 0.00 O ATOM 1127 CB GLU A 76 1.797 12.005 -6.062 1.00 0.00 C ATOM 1128 CG GLU A 76 3.154 12.436 -6.661 1.00 0.00 C ATOM 1129 CD GLU A 76 3.021 13.624 -7.626 1.00 0.00 C ATOM 1130 OE1 GLU A 76 2.700 13.404 -8.817 1.00 0.00 O ATOM 1131 OE2 GLU A 76 3.201 14.788 -7.197 1.00 0.00 O ATOM 0 H GLU A 76 2.672 12.744 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 76 1.006 13.999 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.955 11.121 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.135 11.711 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.836 12.703 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.599 11.592 -7.188 1.00 0.00 H new ATOM 1138 N THR A 77 -1.278 13.029 -5.783 1.00 0.00 N ATOM 1139 CA THR A 77 -2.724 12.826 -5.645 1.00 0.00 C ATOM 1140 C THR A 77 -3.191 11.592 -6.428 1.00 0.00 C ATOM 1141 O THR A 77 -2.756 11.371 -7.565 1.00 0.00 O ATOM 1142 CB THR A 77 -3.509 14.085 -6.130 1.00 0.00 C ATOM 1143 OG1 THR A 77 -3.061 14.478 -7.440 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.360 15.264 -5.162 1.00 0.00 C ATOM 0 H THR A 77 -1.019 13.483 -6.659 1.00 0.00 H new ATOM 0 HA THR A 77 -2.930 12.663 -4.587 1.00 0.00 H new ATOM 0 HB THR A 77 -4.564 13.812 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.562 15.267 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.923 16.118 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.744 14.981 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.307 15.533 -5.075 1.00 0.00 H new ATOM 1152 N MET A 78 -4.085 10.806 -5.799 1.00 0.00 N ATOM 1153 CA MET A 78 -4.723 9.628 -6.395 1.00 0.00 C ATOM 1154 C MET A 78 -6.188 9.552 -5.919 1.00 0.00 C ATOM 1155 O MET A 78 -6.455 9.334 -4.736 1.00 0.00 O ATOM 1156 CB MET A 78 -3.954 8.347 -6.003 1.00 0.00 C ATOM 1157 CG MET A 78 -4.591 7.028 -6.441 1.00 0.00 C ATOM 1158 SD MET A 78 -3.624 5.605 -5.891 1.00 0.00 S ATOM 1159 CE MET A 78 -4.748 4.270 -6.263 1.00 0.00 C ATOM 0 H MET A 78 -4.387 10.981 -4.841 1.00 0.00 H new ATOM 0 HA MET A 78 -4.704 9.712 -7.482 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.952 8.403 -6.428 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.840 8.331 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.601 6.960 -6.037 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.680 7.010 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.181 3.357 -6.444 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.423 4.117 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.328 4.519 -7.152 1.00 0.00 H new ATOM 1169 N GLY A 79 -7.115 9.775 -6.859 1.00 0.00 N ATOM 1170 CA GLY A 79 -8.551 9.620 -6.621 1.00 0.00 C ATOM 1171 C GLY A 79 -9.112 10.662 -5.665 1.00 0.00 C ATOM 1172 O GLY A 79 -9.620 10.313 -4.593 1.00 0.00 O ATOM 0 H GLY A 79 -6.887 10.069 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.080 9.685 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.741 8.625 -6.218 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.945 11.954 -6.040 1.00 0.00 N ATOM 1177 CA HIS A 80 -9.476 13.137 -5.301 1.00 0.00 C ATOM 1178 C HIS A 80 -8.716 13.407 -3.966 1.00 0.00 C ATOM 1179 O HIS A 80 -8.886 14.460 -3.346 1.00 0.00 O ATOM 1180 CB HIS A 80 -11.015 12.982 -5.088 1.00 0.00 C ATOM 1181 CG HIS A 80 -11.749 14.152 -4.463 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -12.431 15.089 -5.203 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.954 14.489 -3.167 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -13.016 15.948 -4.393 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -12.745 15.606 -3.149 1.00 0.00 N ATOM 0 H HIS A 80 -8.428 12.213 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.300 14.022 -5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.471 12.775 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.183 12.105 -4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.564 13.970 -2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.617 16.792 -4.698 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.070 16.092 -2.313 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.823 12.487 -3.585 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.126 12.487 -2.286 1.00 0.00 C ATOM 1196 C ARG A 81 -5.619 12.651 -2.496 1.00 0.00 C ATOM 1197 O ARG A 81 -5.086 12.249 -3.522 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.437 11.148 -1.534 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.751 11.162 -0.713 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.611 11.964 0.608 1.00 0.00 C ATOM 1201 NE ARG A 81 -7.754 11.252 1.585 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.498 11.596 1.937 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -5.924 12.696 1.477 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.814 10.831 2.761 1.00 0.00 N ATOM 0 H ARG A 81 -7.556 11.703 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.477 13.324 -1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.488 10.340 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.607 10.921 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.549 11.595 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.045 10.138 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.186 12.945 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.598 12.130 1.041 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.150 10.426 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.433 13.308 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.973 12.932 1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.234 9.979 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.864 11.090 3.028 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.956 13.276 -1.521 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.490 13.248 -1.405 1.00 0.00 C ATOM 1220 C TYR A 82 -3.114 11.920 -0.742 1.00 0.00 C ATOM 1221 O TYR A 82 -3.798 11.477 0.184 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.978 14.444 -0.566 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.072 15.803 -1.276 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.279 16.502 -1.362 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.945 16.381 -1.870 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.359 17.721 -2.014 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -2.020 17.595 -2.521 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.225 18.264 -2.591 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.292 19.482 -3.240 1.00 0.00 O ATOM 0 H TYR A 82 -5.416 13.816 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.028 13.331 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.548 14.492 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.939 14.262 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.167 16.083 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.997 15.866 -1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.302 18.245 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.137 18.021 -2.975 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.406 19.717 -3.586 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.054 11.273 -1.220 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.644 9.965 -0.713 1.00 0.00 C ATOM 1241 C VAL A 83 -0.477 10.147 0.261 1.00 0.00 C ATOM 1242 O VAL A 83 0.538 10.736 -0.099 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.239 9.008 -1.887 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.688 7.656 -1.376 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.432 8.778 -2.845 1.00 0.00 C ATOM 0 H VAL A 83 -1.459 11.637 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.484 9.507 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.436 9.500 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.421 7.027 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.196 7.832 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.450 7.155 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.128 8.111 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.259 8.329 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.751 9.732 -3.264 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.652 9.662 1.497 1.00 0.00 N ATOM 1256 CA GLU A 84 0.399 9.651 2.517 1.00 0.00 C ATOM 1257 C GLU A 84 1.081 8.268 2.473 1.00 0.00 C ATOM 1258 O GLU A 84 0.434 7.242 2.694 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.199 9.918 3.940 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.908 11.283 4.156 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.316 11.401 3.527 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -3.192 10.604 3.896 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -2.562 12.313 2.709 1.00 0.00 O ATOM 0 H GLU A 84 -1.535 9.264 1.817 1.00 0.00 H new ATOM 0 HA GLU A 84 1.122 10.441 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.913 9.125 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.607 9.835 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.990 11.466 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.277 12.071 3.745 1.00 0.00 H new ATOM 1270 N VAL A 85 2.391 8.261 2.191 1.00 0.00 N ATOM 1271 CA VAL A 85 3.184 7.027 2.050 1.00 0.00 C ATOM 1272 C VAL A 85 4.199 6.961 3.204 1.00 0.00 C ATOM 1273 O VAL A 85 5.090 7.814 3.307 1.00 0.00 O ATOM 1274 CB VAL A 85 3.932 6.938 0.669 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.634 5.565 0.519 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.973 7.224 -0.520 1.00 0.00 C ATOM 0 H VAL A 85 2.935 9.113 2.053 1.00 0.00 H new ATOM 0 HA VAL A 85 2.499 6.180 2.087 1.00 0.00 H new ATOM 0 HB VAL A 85 4.699 7.712 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.146 5.521 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.359 5.437 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.891 4.769 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.525 7.154 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.164 6.493 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.556 8.226 -0.419 1.00 0.00 H new ATOM 1286 N PHE A 86 4.024 5.970 4.081 1.00 0.00 N ATOM 1287 CA PHE A 86 4.808 5.796 5.310 1.00 0.00 C ATOM 1288 C PHE A 86 5.840 4.678 5.130 1.00 0.00 C ATOM 1289 O PHE A 86 5.808 3.937 4.141 1.00 0.00 O ATOM 1290 CB PHE A 86 3.850 5.420 6.473 1.00 0.00 C ATOM 1291 CG PHE A 86 2.743 6.435 6.730 1.00 0.00 C ATOM 1292 CD1 PHE A 86 1.532 6.365 6.039 1.00 0.00 C ATOM 1293 CD2 PHE A 86 2.917 7.462 7.653 1.00 0.00 C ATOM 1294 CE1 PHE A 86 0.536 7.285 6.265 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.916 8.381 7.878 1.00 0.00 C ATOM 1296 CZ PHE A 86 0.729 8.294 7.181 1.00 0.00 C ATOM 0 H PHE A 86 3.316 5.247 3.955 1.00 0.00 H new ATOM 0 HA PHE A 86 5.329 6.727 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.396 4.453 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.435 5.300 7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.376 5.577 5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.846 7.539 8.198 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.397 7.216 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.061 9.170 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.052 9.020 7.355 1.00 0.00 H new ATOM 1306 N LYS A 87 6.728 4.540 6.122 1.00 0.00 N ATOM 1307 CA LYS A 87 7.760 3.504 6.157 1.00 0.00 C ATOM 1308 C LYS A 87 7.257 2.349 7.012 1.00 0.00 C ATOM 1309 O LYS A 87 7.208 2.453 8.237 1.00 0.00 O ATOM 1310 CB LYS A 87 9.070 4.088 6.737 1.00 0.00 C ATOM 1311 CG LYS A 87 9.750 5.106 5.813 1.00 0.00 C ATOM 1312 CD LYS A 87 11.059 5.699 6.390 1.00 0.00 C ATOM 1313 CE LYS A 87 12.106 4.628 6.748 1.00 0.00 C ATOM 1314 NZ LYS A 87 12.353 3.670 5.648 1.00 0.00 N ATOM 0 H LYS A 87 6.748 5.156 6.935 1.00 0.00 H new ATOM 0 HA LYS A 87 7.969 3.143 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.853 4.565 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.764 3.272 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.969 4.627 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.053 5.919 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.489 6.389 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.824 6.280 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.043 5.118 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.772 4.082 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.136 3.037 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.495 3.107 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.602 4.191 4.783 1.00 0.00 H new ATOM 1328 N SER A 88 6.859 1.267 6.348 1.00 0.00 N ATOM 1329 CA SER A 88 6.285 0.084 7.005 1.00 0.00 C ATOM 1330 C SER A 88 7.315 -1.072 7.009 1.00 0.00 C ATOM 1331 O SER A 88 8.486 -0.882 6.642 1.00 0.00 O ATOM 1332 CB SER A 88 4.971 -0.305 6.283 1.00 0.00 C ATOM 1333 OG SER A 88 4.283 -1.338 6.962 1.00 0.00 O ATOM 0 H SER A 88 6.924 1.180 5.334 1.00 0.00 H new ATOM 0 HA SER A 88 6.048 0.305 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.326 0.571 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.197 -0.626 5.266 1.00 0.00 H new ATOM 0 HG SER A 88 3.319 -1.241 6.815 1.00 0.00 H new ATOM 1339 N ASN A 89 6.856 -2.261 7.424 1.00 0.00 N ATOM 1340 CA ASN A 89 7.679 -3.475 7.568 1.00 0.00 C ATOM 1341 C ASN A 89 6.832 -4.698 7.193 1.00 0.00 C ATOM 1342 O ASN A 89 5.606 -4.611 7.142 1.00 0.00 O ATOM 1343 CB ASN A 89 8.214 -3.624 9.029 1.00 0.00 C ATOM 1344 CG ASN A 89 9.104 -2.464 9.475 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.625 -1.502 10.078 1.00 0.00 O ATOM 1346 ND2 ASN A 89 10.394 -2.519 9.156 1.00 0.00 N ATOM 0 H ASN A 89 5.879 -2.411 7.675 1.00 0.00 H new ATOM 0 HA ASN A 89 8.540 -3.398 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.367 -3.705 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.777 -4.554 9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.016 -1.751 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.762 -3.329 8.656 1.00 0.00 H new ATOM 1353 N ASN A 90 7.504 -5.832 6.937 1.00 0.00 N ATOM 1354 CA ASN A 90 6.856 -7.140 6.656 1.00 0.00 C ATOM 1355 C ASN A 90 6.008 -7.587 7.860 1.00 0.00 C ATOM 1356 O ASN A 90 4.905 -8.133 7.712 1.00 0.00 O ATOM 1357 CB ASN A 90 7.960 -8.192 6.358 1.00 0.00 C ATOM 1358 CG ASN A 90 7.438 -9.565 5.943 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.380 -9.685 5.333 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.181 -10.616 6.276 1.00 0.00 N ATOM 0 H ASN A 90 8.523 -5.876 6.917 1.00 0.00 H new ATOM 0 HA ASN A 90 6.197 -7.043 5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.604 -7.809 5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.581 -8.308 7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.876 -11.556 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.056 -10.482 6.783 1.00 0.00 H new ATOM 1367 N VAL A 91 6.559 -7.310 9.054 1.00 0.00 N ATOM 1368 CA VAL A 91 5.937 -7.634 10.340 1.00 0.00 C ATOM 1369 C VAL A 91 4.678 -6.776 10.562 1.00 0.00 C ATOM 1370 O VAL A 91 3.605 -7.308 10.845 1.00 0.00 O ATOM 1371 CB VAL A 91 6.954 -7.427 11.520 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.318 -7.798 12.890 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.259 -8.231 11.265 1.00 0.00 C ATOM 0 H VAL A 91 7.463 -6.847 9.149 1.00 0.00 H new ATOM 0 HA VAL A 91 5.644 -8.684 10.320 1.00 0.00 H new ATOM 0 HB VAL A 91 7.212 -6.369 11.561 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.048 -7.643 13.684 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.447 -7.167 13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.012 -8.844 12.878 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.950 -8.075 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.023 -9.292 11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.721 -7.891 10.338 1.00 0.00 H new ATOM 1383 N GLU A 92 4.820 -5.449 10.362 1.00 0.00 N ATOM 1384 CA GLU A 92 3.711 -4.492 10.576 1.00 0.00 C ATOM 1385 C GLU A 92 2.571 -4.755 9.574 1.00 0.00 C ATOM 1386 O GLU A 92 1.399 -4.767 9.949 1.00 0.00 O ATOM 1387 CB GLU A 92 4.197 -3.022 10.457 1.00 0.00 C ATOM 1388 CG GLU A 92 3.081 -1.971 10.685 1.00 0.00 C ATOM 1389 CD GLU A 92 3.574 -0.517 10.663 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.648 0.090 9.570 1.00 0.00 O ATOM 1391 OE2 GLU A 92 3.878 0.035 11.744 1.00 0.00 O ATOM 0 H GLU A 92 5.690 -5.015 10.053 1.00 0.00 H new ATOM 0 HA GLU A 92 3.337 -4.642 11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.994 -2.854 11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.628 -2.871 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.317 -2.096 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.603 -2.167 11.645 1.00 0.00 H new ATOM 1398 N MET A 93 2.954 -5.010 8.312 1.00 0.00 N ATOM 1399 CA MET A 93 2.024 -5.324 7.216 1.00 0.00 C ATOM 1400 C MET A 93 1.080 -6.473 7.590 1.00 0.00 C ATOM 1401 O MET A 93 -0.144 -6.298 7.602 1.00 0.00 O ATOM 1402 CB MET A 93 2.826 -5.683 5.941 1.00 0.00 C ATOM 1403 CG MET A 93 1.985 -6.197 4.759 1.00 0.00 C ATOM 1404 SD MET A 93 2.963 -6.469 3.276 1.00 0.00 S ATOM 1405 CE MET A 93 4.068 -7.769 3.815 1.00 0.00 C ATOM 0 H MET A 93 3.932 -5.004 8.021 1.00 0.00 H new ATOM 0 HA MET A 93 1.411 -4.443 7.026 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.377 -4.800 5.617 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.564 -6.443 6.198 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.498 -7.130 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.195 -5.478 4.541 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.088 -7.387 3.854 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.771 -8.111 4.806 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.019 -8.602 3.114 1.00 0.00 H new ATOM 1415 N ASP A 94 1.677 -7.622 7.953 1.00 0.00 N ATOM 1416 CA ASP A 94 0.925 -8.855 8.216 1.00 0.00 C ATOM 1417 C ASP A 94 0.019 -8.718 9.453 1.00 0.00 C ATOM 1418 O ASP A 94 -1.156 -9.065 9.396 1.00 0.00 O ATOM 1419 CB ASP A 94 1.882 -10.064 8.370 1.00 0.00 C ATOM 1420 CG ASP A 94 1.134 -11.413 8.350 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.796 -11.891 7.244 1.00 0.00 O ATOM 1422 OD2 ASP A 94 0.849 -11.984 9.427 1.00 0.00 O ATOM 0 H ASP A 94 2.686 -7.719 8.071 1.00 0.00 H new ATOM 0 HA ASP A 94 0.281 -9.032 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.617 -10.047 7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.433 -9.971 9.306 1.00 0.00 H new ATOM 1427 N TRP A 95 0.574 -8.165 10.544 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.108 -8.097 11.852 1.00 0.00 C ATOM 1429 C TRP A 95 -1.306 -7.123 11.845 1.00 0.00 C ATOM 1430 O TRP A 95 -2.376 -7.475 12.346 1.00 0.00 O ATOM 1431 CB TRP A 95 0.904 -7.768 12.992 1.00 0.00 C ATOM 1432 CG TRP A 95 1.729 -8.973 13.435 1.00 0.00 C ATOM 1433 CD1 TRP A 95 2.825 -9.506 12.815 1.00 0.00 C ATOM 1434 CD2 TRP A 95 1.488 -9.803 14.583 1.00 0.00 C ATOM 1435 NE1 TRP A 95 3.283 -10.597 13.512 1.00 0.00 N ATOM 1436 CE2 TRP A 95 2.481 -10.801 14.601 1.00 0.00 C ATOM 1437 CE3 TRP A 95 0.526 -9.793 15.601 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 2.543 -11.779 15.596 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 0.588 -10.760 16.589 1.00 0.00 C ATOM 1440 CH2 TRP A 95 1.587 -11.746 16.577 1.00 0.00 C ATOM 0 H TRP A 95 1.507 -7.752 10.547 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.524 -9.085 12.050 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.577 -6.980 12.654 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.359 -7.375 13.850 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.267 -9.124 11.907 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.092 -11.164 13.258 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.251 -9.043 15.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.316 -12.533 15.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.145 -10.756 17.383 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.602 -12.493 17.356 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.133 -5.917 11.263 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.233 -4.917 11.140 1.00 0.00 C ATOM 1453 C VAL A 96 -3.361 -5.457 10.236 1.00 0.00 C ATOM 1454 O VAL A 96 -4.544 -5.325 10.559 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.725 -3.537 10.572 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -2.888 -2.526 10.394 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.624 -2.927 11.462 1.00 0.00 C ATOM 0 H VAL A 96 -0.245 -5.606 10.869 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.616 -4.748 12.146 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.298 -3.742 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.497 -1.588 10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.621 -2.934 9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.364 -2.345 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.299 -1.977 11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.017 -2.762 12.465 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.223 -3.611 11.512 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.971 -6.091 9.120 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.920 -6.627 8.119 1.00 0.00 C ATOM 1469 C LEU A 97 -4.726 -7.812 8.724 1.00 0.00 C ATOM 1470 O LEU A 97 -5.931 -7.937 8.496 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.145 -7.074 6.837 1.00 0.00 C ATOM 1472 CG LEU A 97 -3.837 -6.870 5.445 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -2.910 -7.361 4.316 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -5.229 -7.537 5.348 1.00 0.00 C ATOM 0 H LEU A 97 -1.992 -6.249 8.882 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.626 -5.845 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.195 -6.539 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.912 -8.134 6.941 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.011 -5.800 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.400 -7.215 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.978 -6.796 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.695 -8.420 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.651 -7.357 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.130 -8.610 5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.888 -7.115 6.106 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.039 -8.645 9.525 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.636 -9.835 10.181 1.00 0.00 C ATOM 1488 C LYS A 98 -5.454 -9.400 11.425 1.00 0.00 C ATOM 1489 O LYS A 98 -6.307 -10.141 11.915 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.516 -10.881 10.545 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.724 -12.335 10.021 1.00 0.00 C ATOM 1492 CD LYS A 98 -4.798 -13.155 10.794 1.00 0.00 C ATOM 1493 CE LYS A 98 -6.243 -12.958 10.289 1.00 0.00 C ATOM 1494 NZ LYS A 98 -7.231 -13.645 11.150 1.00 0.00 N ATOM 0 H LYS A 98 -3.050 -8.517 9.740 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.322 -10.324 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.566 -10.512 10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.425 -10.919 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.007 -12.291 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.773 -12.866 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.545 -14.213 10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.755 -12.882 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.472 -11.893 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.325 -13.336 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.188 -13.487 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.029 -14.665 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.171 -13.267 12.117 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.178 -8.179 11.916 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.964 -7.540 12.996 1.00 0.00 C ATOM 1510 C HIS A 99 -7.113 -6.702 12.368 1.00 0.00 C ATOM 1511 O HIS A 99 -7.938 -6.127 13.088 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.033 -6.650 13.878 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.566 -6.360 15.263 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.602 -5.485 15.517 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.213 -6.873 16.468 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.863 -5.479 16.812 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -6.033 -6.308 17.410 1.00 0.00 N ATOM 0 H HIS A 99 -4.406 -7.605 11.578 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.402 -8.305 13.637 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.065 -7.141 13.971 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.862 -5.704 13.363 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.090 -4.929 14.815 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.430 -7.594 16.651 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.629 -4.893 17.298 1.00 0.00 H new