USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 446 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 92:sc= 0.161 USER MOD Single : A 19 GLN : amide:sc= -0.852 K(o=-0.85,f=-3.9!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.926 F(o=-1.9!,f=-0.93) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -0.127 (180deg=-0.747) USER MOD Single : A 33 THR OG1 : rot -73:sc= 0.348 USER MOD Single : A 36 ASN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.94! C(o=-7.9!,f=-8.7!) USER MOD Single : A 59 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.078) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 3.474 -7.261 -0.333 1.00 0.00 N ATOM 67 CA ASP A 8 4.398 -6.495 -1.161 1.00 0.00 C ATOM 68 C ASP A 8 5.015 -5.347 -0.368 1.00 0.00 C ATOM 69 O ASP A 8 4.315 -4.436 0.073 1.00 0.00 O ATOM 70 CB ASP A 8 3.677 -5.948 -2.395 1.00 0.00 C ATOM 71 CG ASP A 8 3.696 -6.924 -3.555 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.267 -8.081 -3.364 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.140 -6.530 -4.654 1.00 0.00 O ATOM 0 HA ASP A 8 5.198 -7.162 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.644 -5.716 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.146 -5.013 -2.702 1.00 0.00 H new ATOM 78 N TYR A 9 6.331 -5.399 -0.189 1.00 0.00 N ATOM 79 CA TYR A 9 7.042 -4.366 0.554 1.00 0.00 C ATOM 80 C TYR A 9 7.436 -3.211 -0.360 1.00 0.00 C ATOM 81 O TYR A 9 8.146 -3.400 -1.349 1.00 0.00 O ATOM 82 CB TYR A 9 8.289 -4.954 1.218 1.00 0.00 C ATOM 83 CG TYR A 9 8.042 -5.474 2.616 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.936 -6.265 2.900 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.916 -5.174 3.654 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.707 -6.742 4.176 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.695 -5.647 4.933 1.00 0.00 C ATOM 88 CZ TYR A 9 7.589 -6.430 5.189 1.00 0.00 C ATOM 89 OH TYR A 9 7.364 -6.904 6.461 1.00 0.00 O ATOM 0 H TYR A 9 6.926 -6.145 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 9 6.373 -3.983 1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.671 -5.766 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.065 -4.190 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.243 -6.511 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.783 -4.561 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.842 -7.356 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.385 -5.405 5.728 1.00 0.00 H new ATOM 0 HH TYR A 9 8.078 -6.595 7.056 1.00 0.00 H new ATOM 99 N CYS A 10 6.971 -2.013 -0.023 1.00 0.00 N ATOM 100 CA CYS A 10 7.274 -0.825 -0.813 1.00 0.00 C ATOM 101 C CYS A 10 8.035 0.202 0.019 1.00 0.00 C ATOM 102 O CYS A 10 7.628 0.542 1.130 1.00 0.00 O ATOM 103 CB CYS A 10 5.985 -0.205 -1.355 1.00 0.00 C ATOM 104 SG CYS A 10 5.036 -1.302 -2.435 1.00 0.00 S ATOM 0 H CYS A 10 6.383 -1.839 0.792 1.00 0.00 H new ATOM 0 HA CYS A 10 7.904 -1.127 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.357 0.093 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.234 0.702 -1.905 1.00 0.00 H new ATOM 0 HG CYS A 10 3.964 -0.690 -2.841 1.00 0.00 H new ATOM 110 N LYS A 11 9.144 0.691 -0.525 1.00 0.00 N ATOM 111 CA LYS A 11 9.965 1.679 0.166 1.00 0.00 C ATOM 112 C LYS A 11 9.484 3.094 -0.138 1.00 0.00 C ATOM 113 O LYS A 11 9.311 3.466 -1.299 1.00 0.00 O ATOM 114 CB LYS A 11 11.432 1.529 -0.242 1.00 0.00 C ATOM 115 CG LYS A 11 12.366 2.482 0.484 1.00 0.00 C ATOM 116 CD LYS A 11 13.823 2.168 0.188 1.00 0.00 C ATOM 117 CE LYS A 11 14.747 3.241 0.743 1.00 0.00 C ATOM 118 NZ LYS A 11 16.144 2.747 0.891 1.00 0.00 N ATOM 0 H LYS A 11 9.495 0.419 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 11 9.873 1.505 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.751 0.505 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.520 1.694 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.146 3.507 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.190 2.418 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.084 1.202 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.967 2.084 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.736 4.107 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.375 3.575 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.743 3.507 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.158 1.936 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.508 2.452 -0.037 1.00 0.00 H new ATOM 132 N VAL A 12 9.272 3.881 0.912 1.00 0.00 N ATOM 133 CA VAL A 12 8.814 5.256 0.757 1.00 0.00 C ATOM 134 C VAL A 12 9.986 6.204 0.533 1.00 0.00 C ATOM 135 O VAL A 12 10.755 6.486 1.453 1.00 0.00 O ATOM 136 CB VAL A 12 8.017 5.725 1.990 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.620 7.186 1.845 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.791 4.849 2.196 1.00 0.00 C ATOM 0 H VAL A 12 9.410 3.589 1.880 1.00 0.00 H new ATOM 0 HA VAL A 12 8.163 5.276 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 12 8.654 5.632 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.058 7.499 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.516 7.799 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.001 7.308 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.240 5.194 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.150 4.908 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.103 3.816 2.349 1.00 0.00 H new ATOM 148 N ILE A 13 10.118 6.693 -0.696 1.00 0.00 N ATOM 149 CA ILE A 13 11.196 7.611 -1.040 1.00 0.00 C ATOM 150 C ILE A 13 10.747 9.062 -0.908 1.00 0.00 C ATOM 151 O ILE A 13 11.534 9.937 -0.546 1.00 0.00 O ATOM 152 CB ILE A 13 11.702 7.372 -2.475 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.529 7.349 -3.456 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.487 6.070 -2.549 1.00 0.00 C ATOM 155 CD1 ILE A 13 9.878 5.990 -3.589 1.00 0.00 C ATOM 0 H ILE A 13 9.492 6.469 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 13 12.008 7.419 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 13 12.366 8.191 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.780 8.071 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.879 7.672 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.838 5.914 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.342 6.122 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.844 5.240 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.055 6.049 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.613 5.268 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.497 5.673 -2.618 1.00 0.00 H new ATOM 167 N PHE A 14 9.475 9.311 -1.201 1.00 0.00 N ATOM 168 CA PHE A 14 8.919 10.657 -1.114 1.00 0.00 C ATOM 169 C PHE A 14 8.012 10.793 0.106 1.00 0.00 C ATOM 170 O PHE A 14 7.034 10.063 0.268 1.00 0.00 O ATOM 171 CB PHE A 14 8.136 10.991 -2.386 1.00 0.00 C ATOM 172 CG PHE A 14 9.012 11.297 -3.566 1.00 0.00 C ATOM 173 CD1 PHE A 14 9.556 12.560 -3.734 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.293 10.321 -4.509 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.363 12.845 -4.820 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.099 10.599 -5.596 1.00 0.00 C ATOM 177 CZ PHE A 14 10.634 11.863 -5.752 1.00 0.00 C ATOM 0 H PHE A 14 8.809 8.599 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 14 9.746 11.359 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.486 10.152 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.490 11.847 -2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.347 13.332 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.877 9.331 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.781 13.834 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.311 9.829 -6.323 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.263 12.083 -6.602 1.00 0.00 H new ATOM 187 N PRO A 15 8.345 11.749 0.985 1.00 0.00 N ATOM 188 CA PRO A 15 7.574 12.004 2.206 1.00 0.00 C ATOM 189 C PRO A 15 6.207 12.612 1.912 1.00 0.00 C ATOM 190 O PRO A 15 6.107 13.651 1.258 1.00 0.00 O ATOM 191 CB PRO A 15 8.448 12.998 2.976 1.00 0.00 C ATOM 192 CG PRO A 15 9.257 13.682 1.928 1.00 0.00 C ATOM 193 CD PRO A 15 9.498 12.655 0.856 1.00 0.00 C ATOM 0 HA PRO A 15 7.364 11.086 2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.840 13.710 3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.085 12.488 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.727 14.547 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.199 14.047 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.543 13.110 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.441 12.129 1.008 1.00 0.00 H new ATOM 201 N TYR A 16 5.158 11.961 2.400 1.00 0.00 N ATOM 202 CA TYR A 16 3.796 12.437 2.188 1.00 0.00 C ATOM 203 C TYR A 16 3.063 12.600 3.516 1.00 0.00 C ATOM 204 O TYR A 16 3.242 11.805 4.437 1.00 0.00 O ATOM 205 CB TYR A 16 3.030 11.469 1.285 1.00 0.00 C ATOM 206 CG TYR A 16 1.561 11.801 1.150 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.138 12.861 0.358 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.596 11.055 1.815 1.00 0.00 C ATOM 209 CE1 TYR A 16 -0.203 13.169 0.232 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.747 11.354 1.694 1.00 0.00 C ATOM 211 CZ TYR A 16 -1.142 12.412 0.901 1.00 0.00 C ATOM 212 OH TYR A 16 -2.479 12.714 0.779 1.00 0.00 O ATOM 0 H TYR A 16 5.224 11.102 2.945 1.00 0.00 H new ATOM 0 HA TYR A 16 3.850 13.411 1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.487 11.470 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.131 10.459 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.870 13.455 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.901 10.227 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.514 13.998 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.484 10.763 2.217 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.865 12.197 0.041 1.00 0.00 H new ATOM 222 N GLU A 17 2.235 13.637 3.604 1.00 0.00 N ATOM 223 CA GLU A 17 1.475 13.905 4.819 1.00 0.00 C ATOM 224 C GLU A 17 -0.018 13.694 4.583 1.00 0.00 C ATOM 225 O GLU A 17 -0.658 14.461 3.863 1.00 0.00 O ATOM 226 CB GLU A 17 1.730 15.334 5.302 1.00 0.00 C ATOM 227 CG GLU A 17 3.101 15.530 5.925 1.00 0.00 C ATOM 228 CD GLU A 17 3.147 16.712 6.874 1.00 0.00 C ATOM 229 OE1 GLU A 17 2.228 16.836 7.711 1.00 0.00 O ATOM 230 OE2 GLU A 17 4.100 17.513 6.780 1.00 0.00 O ATOM 0 H GLU A 17 2.074 14.304 2.849 1.00 0.00 H new ATOM 0 HA GLU A 17 1.807 13.206 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.622 16.018 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.967 15.604 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.384 14.625 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.838 15.674 5.135 1.00 0.00 H new ATOM 237 N ALA A 18 -0.567 12.650 5.195 1.00 0.00 N ATOM 238 CA ALA A 18 -1.984 12.339 5.053 1.00 0.00 C ATOM 239 C ALA A 18 -2.849 13.539 5.423 1.00 0.00 C ATOM 240 O ALA A 18 -3.037 13.840 6.601 1.00 0.00 O ATOM 241 CB ALA A 18 -2.349 11.138 5.914 1.00 0.00 C ATOM 0 H ALA A 18 -0.052 12.005 5.794 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.174 12.095 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.410 10.917 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.762 10.274 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.137 11.362 6.959 1.00 0.00 H new ATOM 247 N GLN A 19 -3.371 14.220 4.408 1.00 0.00 N ATOM 248 CA GLN A 19 -4.215 15.389 4.628 1.00 0.00 C ATOM 249 C GLN A 19 -5.394 15.047 5.532 1.00 0.00 C ATOM 250 O GLN A 19 -5.735 15.806 6.438 1.00 0.00 O ATOM 251 CB GLN A 19 -4.723 15.935 3.292 1.00 0.00 C ATOM 252 CG GLN A 19 -5.710 17.082 3.440 1.00 0.00 C ATOM 253 CD GLN A 19 -5.076 18.324 4.035 1.00 0.00 C ATOM 254 OE1 GLN A 19 -4.449 18.269 5.093 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.237 19.454 3.357 1.00 0.00 N ATOM 0 H GLN A 19 -3.225 13.983 3.427 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.613 16.153 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.872 16.273 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.198 15.127 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.128 17.325 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.539 16.764 4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.764 19.454 2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.833 20.322 3.709 1.00 0.00 H new ATOM 264 N ASN A 20 -6.014 13.899 5.279 1.00 0.00 N ATOM 265 CA ASN A 20 -7.157 13.456 6.070 1.00 0.00 C ATOM 266 C ASN A 20 -6.931 12.047 6.611 1.00 0.00 C ATOM 267 O ASN A 20 -5.953 11.386 6.261 1.00 0.00 O ATOM 268 CB ASN A 20 -8.433 13.492 5.227 1.00 0.00 C ATOM 269 CG ASN A 20 -8.841 14.905 4.856 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.299 15.407 3.752 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 -9.633 15.537 5.554 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.744 13.258 4.532 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.268 14.137 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.281 12.910 4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.243 13.016 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.025 15.111 6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.898 16.487 5.293 1.00 0.00 H new ATOM 278 N ASP A 21 -7.842 11.595 7.466 1.00 0.00 N ATOM 279 CA ASP A 21 -7.744 10.264 8.054 1.00 0.00 C ATOM 280 C ASP A 21 -7.584 9.202 6.971 1.00 0.00 C ATOM 281 O ASP A 21 -6.728 8.323 7.070 1.00 0.00 O ATOM 282 CB ASP A 21 -8.982 9.965 8.901 1.00 0.00 C ATOM 283 CG ASP A 21 -8.907 10.595 10.278 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.180 11.599 10.433 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.576 10.085 11.201 1.00 0.00 O ATOM 0 H ASP A 21 -8.656 12.130 7.767 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.862 10.240 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.869 10.332 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.096 8.886 9.004 1.00 0.00 H new ATOM 290 N ASP A 22 -8.416 9.288 5.938 1.00 0.00 N ATOM 291 CA ASP A 22 -8.368 8.334 4.836 1.00 0.00 C ATOM 292 C ASP A 22 -6.927 8.068 4.410 1.00 0.00 C ATOM 293 O ASP A 22 -6.481 6.922 4.380 1.00 0.00 O ATOM 294 CB ASP A 22 -9.177 8.854 3.647 1.00 0.00 C ATOM 295 CG ASP A 22 -10.508 9.446 4.067 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.496 8.687 4.144 1.00 0.00 O ATOM 297 OD2 ASP A 22 -10.561 10.669 4.318 1.00 0.00 O ATOM 0 H ASP A 22 -9.131 10.009 5.841 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.805 7.397 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.596 9.611 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.351 8.039 2.945 1.00 0.00 H new ATOM 302 N GLU A 23 -6.206 9.135 4.081 1.00 0.00 N ATOM 303 CA GLU A 23 -4.817 9.016 3.654 1.00 0.00 C ATOM 304 C GLU A 23 -3.938 8.517 4.798 1.00 0.00 C ATOM 305 O GLU A 23 -4.280 8.669 5.971 1.00 0.00 O ATOM 306 CB GLU A 23 -4.298 10.364 3.149 1.00 0.00 C ATOM 307 CG GLU A 23 -4.812 10.734 1.767 1.00 0.00 C ATOM 308 CD GLU A 23 -3.925 10.209 0.655 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.222 9.202 0.881 1.00 0.00 O ATOM 310 OE2 GLU A 23 -3.934 10.805 -0.442 1.00 0.00 O ATOM 0 H GLU A 23 -6.561 10.091 4.102 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.774 8.291 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.586 11.143 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.208 10.340 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.820 10.338 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.883 11.819 1.688 1.00 0.00 H new ATOM 317 N LEU A 24 -2.804 7.920 4.447 1.00 0.00 N ATOM 318 CA LEU A 24 -1.875 7.397 5.442 1.00 0.00 C ATOM 319 C LEU A 24 -0.615 8.253 5.513 1.00 0.00 C ATOM 320 O LEU A 24 -0.176 8.816 4.510 1.00 0.00 O ATOM 321 CB LEU A 24 -1.505 5.950 5.113 1.00 0.00 C ATOM 322 CG LEU A 24 -0.341 5.357 5.908 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.846 4.697 7.182 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.432 4.359 5.058 1.00 0.00 C ATOM 0 H LEU A 24 -2.506 7.786 3.481 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.367 7.427 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.384 5.326 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.262 5.891 4.052 1.00 0.00 H new ATOM 0 HG LEU A 24 0.334 6.167 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.004 4.281 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.354 5.438 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.543 3.898 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.257 3.947 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.233 3.552 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.827 4.862 4.175 1.00 0.00 H new ATOM 336 N THR A 25 -0.034 8.345 6.706 1.00 0.00 N ATOM 337 CA THR A 25 1.177 9.130 6.908 1.00 0.00 C ATOM 338 C THR A 25 2.425 8.285 6.682 1.00 0.00 C ATOM 339 O THR A 25 2.655 7.300 7.385 1.00 0.00 O ATOM 340 CB THR A 25 1.227 9.731 8.325 1.00 0.00 C ATOM 341 OG1 THR A 25 0.056 10.519 8.565 1.00 0.00 O ATOM 342 CG2 THR A 25 2.469 10.591 8.505 1.00 0.00 C ATOM 0 H THR A 25 -0.383 7.885 7.547 1.00 0.00 H new ATOM 0 HA THR A 25 1.154 9.940 6.179 1.00 0.00 H new ATOM 0 HB THR A 25 1.265 8.911 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.095 10.896 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.482 11.005 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.359 9.981 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.457 11.404 7.779 1.00 0.00 H new ATOM 350 N ILE A 26 3.228 8.675 5.698 1.00 0.00 N ATOM 351 CA ILE A 26 4.455 7.954 5.381 1.00 0.00 C ATOM 352 C ILE A 26 5.659 8.889 5.382 1.00 0.00 C ATOM 353 O ILE A 26 5.575 10.027 4.920 1.00 0.00 O ATOM 354 CB ILE A 26 4.360 7.257 4.011 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.153 8.291 2.902 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.229 6.239 4.011 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.235 7.708 1.509 1.00 0.00 C ATOM 0 H ILE A 26 3.051 9.487 5.106 1.00 0.00 H new ATOM 0 HA ILE A 26 4.586 7.198 6.155 1.00 0.00 H new ATOM 0 HB ILE A 26 5.296 6.731 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.179 8.762 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.903 9.076 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.175 5.755 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.415 5.488 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.285 6.744 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.079 8.498 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.218 7.262 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.467 6.944 1.389 1.00 0.00 H new ATOM 369 N LYS A 27 6.780 8.401 5.902 1.00 0.00 N ATOM 370 CA LYS A 27 8.004 9.191 5.960 1.00 0.00 C ATOM 371 C LYS A 27 9.087 8.582 5.075 1.00 0.00 C ATOM 372 O LYS A 27 9.043 7.395 4.754 1.00 0.00 O ATOM 373 CB LYS A 27 8.505 9.288 7.403 1.00 0.00 C ATOM 374 CG LYS A 27 7.547 10.015 8.331 1.00 0.00 C ATOM 375 CD LYS A 27 7.452 11.492 7.987 1.00 0.00 C ATOM 376 CE LYS A 27 7.140 12.332 9.216 1.00 0.00 C ATOM 377 NZ LYS A 27 8.213 12.231 10.244 1.00 0.00 N ATOM 0 H LYS A 27 6.866 7.461 6.290 1.00 0.00 H new ATOM 0 HA LYS A 27 7.779 10.192 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.678 8.283 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.466 9.802 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.559 9.560 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.881 9.901 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.392 11.825 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.677 11.643 7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.016 13.374 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.193 12.008 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.227 13.098 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.029 11.412 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.133 12.112 9.775 1.00 0.00 H new ATOM 391 N GLU A 28 10.058 9.403 4.686 1.00 0.00 N ATOM 392 CA GLU A 28 11.152 8.943 3.839 1.00 0.00 C ATOM 393 C GLU A 28 11.996 7.896 4.560 1.00 0.00 C ATOM 394 O GLU A 28 12.510 8.141 5.650 1.00 0.00 O ATOM 395 CB GLU A 28 12.032 10.123 3.419 1.00 0.00 C ATOM 396 CG GLU A 28 12.924 9.822 2.227 1.00 0.00 C ATOM 397 CD GLU A 28 14.246 9.198 2.630 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.081 9.911 3.226 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.446 7.998 2.349 1.00 0.00 O ATOM 0 H GLU A 28 10.109 10.389 4.944 1.00 0.00 H new ATOM 0 HA GLU A 28 10.720 8.486 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.394 10.974 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.655 10.419 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.401 9.149 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.114 10.744 1.678 1.00 0.00 H new ATOM 406 N GLY A 29 12.132 6.726 3.942 1.00 0.00 N ATOM 407 CA GLY A 29 12.914 5.659 4.539 1.00 0.00 C ATOM 408 C GLY A 29 12.069 4.723 5.381 1.00 0.00 C ATOM 409 O GLY A 29 12.482 4.307 6.464 1.00 0.00 O ATOM 0 H GLY A 29 11.715 6.499 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.407 5.089 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.700 6.091 5.159 1.00 0.00 H new ATOM 413 N ASP A 30 10.882 4.392 4.884 1.00 0.00 N ATOM 414 CA ASP A 30 9.976 3.500 5.598 1.00 0.00 C ATOM 415 C ASP A 30 9.259 2.565 4.629 1.00 0.00 C ATOM 416 O ASP A 30 8.746 2.999 3.597 1.00 0.00 O ATOM 417 CB ASP A 30 8.953 4.309 6.396 1.00 0.00 C ATOM 418 CG ASP A 30 9.578 5.029 7.575 1.00 0.00 C ATOM 419 OD1 ASP A 30 9.677 4.418 8.660 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.968 6.204 7.413 1.00 0.00 O ATOM 0 H ASP A 30 10.525 4.728 3.990 1.00 0.00 H new ATOM 0 HA ASP A 30 10.567 2.897 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.478 5.038 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.168 3.644 6.755 1.00 0.00 H new ATOM 425 N ILE A 31 9.228 1.281 4.967 1.00 0.00 N ATOM 426 CA ILE A 31 8.573 0.285 4.127 1.00 0.00 C ATOM 427 C ILE A 31 7.123 0.078 4.549 1.00 0.00 C ATOM 428 O ILE A 31 6.817 -0.014 5.738 1.00 0.00 O ATOM 429 CB ILE A 31 9.309 -1.067 4.180 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.705 -0.937 3.566 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.504 -2.136 3.457 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.720 -0.316 4.499 1.00 0.00 C ATOM 0 H ILE A 31 9.649 0.905 5.817 1.00 0.00 H new ATOM 0 HA ILE A 31 8.601 0.665 3.106 1.00 0.00 H new ATOM 0 HB ILE A 31 9.418 -1.365 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.055 -1.925 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.640 -0.334 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.037 -3.086 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.530 -2.243 3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.368 -1.846 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.686 -0.255 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.393 0.685 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.814 -0.930 5.395 1.00 0.00 H new ATOM 444 N VAL A 32 6.231 0.005 3.565 1.00 0.00 N ATOM 445 CA VAL A 32 4.812 -0.195 3.833 1.00 0.00 C ATOM 446 C VAL A 32 4.294 -1.452 3.144 1.00 0.00 C ATOM 447 O VAL A 32 4.416 -1.603 1.928 1.00 0.00 O ATOM 448 CB VAL A 32 3.978 1.014 3.367 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.494 0.747 3.567 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.407 2.273 4.105 1.00 0.00 C ATOM 0 H VAL A 32 6.467 0.081 2.576 1.00 0.00 H new ATOM 0 HA VAL A 32 4.706 -0.307 4.912 1.00 0.00 H new ATOM 0 HB VAL A 32 4.155 1.167 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.920 1.611 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.201 -0.129 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.296 0.567 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.808 3.117 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.261 2.134 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.460 2.471 3.905 1.00 0.00 H new ATOM 460 N THR A 33 3.714 -2.354 3.929 1.00 0.00 N ATOM 461 CA THR A 33 3.177 -3.600 3.395 1.00 0.00 C ATOM 462 C THR A 33 1.898 -3.353 2.604 1.00 0.00 C ATOM 463 O THR A 33 0.866 -2.990 3.170 1.00 0.00 O ATOM 464 CB THR A 33 2.885 -4.613 4.519 1.00 0.00 C ATOM 465 OG1 THR A 33 4.093 -4.928 5.220 1.00 0.00 O ATOM 466 CG2 THR A 33 2.274 -5.886 3.954 1.00 0.00 C ATOM 0 H THR A 33 3.604 -2.245 4.937 1.00 0.00 H new ATOM 0 HA THR A 33 3.937 -4.013 2.732 1.00 0.00 H new ATOM 0 HB THR A 33 2.172 -4.162 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.654 -5.506 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.077 -6.586 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.340 -5.647 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.967 -6.339 3.245 1.00 0.00 H new ATOM 474 N LEU A 34 1.971 -3.552 1.293 1.00 0.00 N ATOM 475 CA LEU A 34 0.817 -3.351 0.423 1.00 0.00 C ATOM 476 C LEU A 34 -0.340 -4.256 0.836 1.00 0.00 C ATOM 477 O LEU A 34 -0.308 -5.465 0.603 1.00 0.00 O ATOM 478 CB LEU A 34 1.198 -3.624 -1.033 1.00 0.00 C ATOM 479 CG LEU A 34 0.429 -2.827 -2.088 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.736 -1.343 -1.965 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.765 -3.329 -3.485 1.00 0.00 C ATOM 0 H LEU A 34 2.817 -3.852 0.809 1.00 0.00 H new ATOM 0 HA LEU A 34 0.496 -2.314 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.261 -3.418 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.054 -4.686 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.638 -2.971 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.180 -0.792 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.444 -0.992 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.804 -1.179 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.209 -2.751 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.834 -3.215 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.493 -4.381 -3.569 1.00 0.00 H new ATOM 493 N ILE A 35 -1.359 -3.662 1.447 1.00 0.00 N ATOM 494 CA ILE A 35 -2.527 -4.414 1.888 1.00 0.00 C ATOM 495 C ILE A 35 -3.381 -4.849 0.702 1.00 0.00 C ATOM 496 O ILE A 35 -3.563 -6.042 0.460 1.00 0.00 O ATOM 497 CB ILE A 35 -3.396 -3.588 2.856 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.607 -3.253 4.124 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.669 -4.345 3.202 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.158 -4.474 4.896 1.00 0.00 C ATOM 0 H ILE A 35 -1.400 -2.663 1.648 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.156 -5.297 2.409 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.674 -2.655 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.732 -2.663 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.223 -2.630 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.272 -3.749 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.237 -4.538 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.412 -5.292 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.605 -4.161 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.030 -5.054 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.515 -5.087 4.265 1.00 0.00 H new ATOM 512 N ASN A 36 -3.902 -3.874 -0.035 1.00 0.00 N ATOM 513 CA ASN A 36 -4.736 -4.156 -1.198 1.00 0.00 C ATOM 514 C ASN A 36 -4.445 -3.173 -2.328 1.00 0.00 C ATOM 515 O ASN A 36 -4.246 -1.981 -2.093 1.00 0.00 O ATOM 516 CB ASN A 36 -6.216 -4.089 -0.817 1.00 0.00 C ATOM 517 CG ASN A 36 -7.119 -4.625 -1.912 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.978 -3.910 -2.429 1.00 0.00 O ATOM 519 ND2 ASN A 36 -6.929 -5.889 -2.270 1.00 0.00 N ATOM 0 H ASN A 36 -3.762 -2.881 0.152 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.502 -5.162 -1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.379 -4.660 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.486 -3.056 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.507 -6.304 -3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.205 -6.445 -1.814 1.00 0.00 H new ATOM 526 N LYS A 37 -4.421 -3.682 -3.555 1.00 0.00 N ATOM 527 CA LYS A 37 -4.157 -2.850 -4.723 1.00 0.00 C ATOM 528 C LYS A 37 -5.277 -1.837 -4.935 1.00 0.00 C ATOM 529 O LYS A 37 -6.356 -1.960 -4.355 1.00 0.00 O ATOM 530 CB LYS A 37 -4.002 -3.722 -5.971 1.00 0.00 C ATOM 531 CG LYS A 37 -2.631 -4.365 -6.097 1.00 0.00 C ATOM 532 CD LYS A 37 -2.234 -4.551 -7.552 1.00 0.00 C ATOM 533 CE LYS A 37 -1.475 -3.344 -8.081 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.629 -3.692 -9.256 1.00 0.00 N ATOM 0 H LYS A 37 -4.581 -4.667 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.228 -2.307 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.761 -4.504 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.191 -3.113 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.890 -3.745 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.634 -5.332 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.615 -5.443 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.127 -4.714 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.183 -2.564 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.847 -2.935 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.128 -2.843 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.064 -4.418 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.231 -4.059 -10.021 1.00 0.00 H new ATOM 548 N ASP A 38 -5.014 -0.837 -5.769 1.00 0.00 N ATOM 549 CA ASP A 38 -6.001 0.197 -6.059 1.00 0.00 C ATOM 550 C ASP A 38 -6.803 -0.153 -7.309 1.00 0.00 C ATOM 551 O ASP A 38 -6.389 -0.992 -8.110 1.00 0.00 O ATOM 552 CB ASP A 38 -5.315 1.551 -6.242 1.00 0.00 C ATOM 553 CG ASP A 38 -6.298 2.661 -6.558 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.057 3.058 -5.649 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.308 3.133 -7.713 1.00 0.00 O ATOM 0 H ASP A 38 -4.126 -0.720 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.686 0.257 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.767 1.803 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.583 1.478 -7.046 1.00 0.00 H new ATOM 560 N CYS A 39 -7.953 0.493 -7.468 1.00 0.00 N ATOM 561 CA CYS A 39 -8.814 0.249 -8.620 1.00 0.00 C ATOM 562 C CYS A 39 -8.030 0.373 -9.922 1.00 0.00 C ATOM 563 O CYS A 39 -6.936 0.938 -9.947 1.00 0.00 O ATOM 564 CB CYS A 39 -9.988 1.230 -8.622 1.00 0.00 C ATOM 565 SG CYS A 39 -11.227 0.900 -7.347 1.00 0.00 S ATOM 0 H CYS A 39 -8.311 1.189 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.199 -0.768 -8.545 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.603 2.241 -8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.471 1.201 -9.599 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.178 1.783 -7.427 1.00 0.00 H new ATOM 571 N ILE A 40 -8.595 -0.160 -10.999 1.00 0.00 N ATOM 572 CA ILE A 40 -7.948 -0.109 -12.305 1.00 0.00 C ATOM 573 C ILE A 40 -7.122 1.163 -12.460 1.00 0.00 C ATOM 574 O ILE A 40 -6.094 1.170 -13.138 1.00 0.00 O ATOM 575 CB ILE A 40 -8.978 -0.182 -13.447 1.00 0.00 C ATOM 576 CG1 ILE A 40 -9.791 -1.475 -13.349 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.281 -0.090 -14.796 1.00 0.00 C ATOM 578 CD1 ILE A 40 -8.973 -2.723 -13.596 1.00 0.00 C ATOM 0 H ILE A 40 -9.499 -0.632 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.290 -0.976 -12.365 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.661 0.662 -13.354 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.243 -1.536 -12.359 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.607 -1.437 -14.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.023 -0.143 -15.593 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.743 0.855 -14.864 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.578 -0.916 -14.899 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.614 -3.601 -13.511 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.543 -2.684 -14.597 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.172 -2.785 -12.859 1.00 0.00 H new ATOM 590 N ASP A 41 -7.578 2.238 -11.826 1.00 0.00 N ATOM 591 CA ASP A 41 -6.880 3.517 -11.891 1.00 0.00 C ATOM 592 C ASP A 41 -5.550 3.448 -11.147 1.00 0.00 C ATOM 593 O ASP A 41 -5.503 3.098 -9.968 1.00 0.00 O ATOM 594 CB ASP A 41 -7.751 4.628 -11.302 1.00 0.00 C ATOM 595 CG ASP A 41 -9.049 4.810 -12.064 1.00 0.00 C ATOM 596 OD1 ASP A 41 -9.004 4.858 -13.311 1.00 0.00 O ATOM 597 OD2 ASP A 41 -10.111 4.906 -11.412 1.00 0.00 O ATOM 0 H ASP A 41 -8.427 2.249 -11.261 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.679 3.741 -12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.974 4.398 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.194 5.565 -11.309 1.00 0.00 H new ATOM 602 N VAL A 42 -4.469 3.784 -11.845 1.00 0.00 N ATOM 603 CA VAL A 42 -3.138 3.761 -11.251 1.00 0.00 C ATOM 604 C VAL A 42 -2.800 5.101 -10.606 1.00 0.00 C ATOM 605 O VAL A 42 -3.286 6.147 -11.033 1.00 0.00 O ATOM 606 CB VAL A 42 -2.061 3.423 -12.299 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.684 3.378 -11.655 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.381 2.102 -12.984 1.00 0.00 C ATOM 0 H VAL A 42 -4.490 4.075 -12.822 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.147 2.985 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.056 4.208 -13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.064 3.138 -12.411 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.456 4.349 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.671 2.615 -10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.610 1.878 -13.721 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.414 1.305 -12.241 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.348 2.175 -13.481 1.00 0.00 H new ATOM 618 N GLY A 43 -1.963 5.060 -9.573 1.00 0.00 N ATOM 619 CA GLY A 43 -1.574 6.278 -8.886 1.00 0.00 C ATOM 620 C GLY A 43 -1.921 6.247 -7.411 1.00 0.00 C ATOM 621 O GLY A 43 -1.415 7.053 -6.630 1.00 0.00 O ATOM 0 H GLY A 43 -1.548 4.206 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.501 6.429 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.068 7.129 -9.355 1.00 0.00 H new ATOM 625 N TRP A 44 -2.788 5.316 -7.028 1.00 0.00 N ATOM 626 CA TRP A 44 -3.204 5.184 -5.637 1.00 0.00 C ATOM 627 C TRP A 44 -2.988 3.760 -5.136 1.00 0.00 C ATOM 628 O TRP A 44 -2.954 2.815 -5.923 1.00 0.00 O ATOM 629 CB TRP A 44 -4.675 5.575 -5.483 1.00 0.00 C ATOM 630 CG TRP A 44 -4.995 6.921 -6.061 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.460 7.184 -7.317 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.871 8.187 -5.403 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.634 8.537 -7.481 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.280 9.174 -6.321 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.458 8.582 -4.128 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.285 10.530 -6.002 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.463 9.928 -3.814 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.874 10.888 -4.747 1.00 0.00 C ATOM 0 H TRP A 44 -3.216 4.641 -7.662 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.592 5.857 -5.036 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.296 4.822 -5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.936 5.570 -4.425 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.662 6.438 -8.071 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.972 8.993 -8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.141 7.849 -3.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.602 11.272 -6.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.144 10.245 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.866 11.932 -4.470 1.00 0.00 H new ATOM 649 N TRP A 45 -2.844 3.615 -3.824 1.00 0.00 N ATOM 650 CA TRP A 45 -2.632 2.305 -3.219 1.00 0.00 C ATOM 651 C TRP A 45 -2.855 2.358 -1.712 1.00 0.00 C ATOM 652 O TRP A 45 -2.800 3.428 -1.106 1.00 0.00 O ATOM 653 CB TRP A 45 -1.219 1.803 -3.521 1.00 0.00 C ATOM 654 CG TRP A 45 -1.105 1.107 -4.843 1.00 0.00 C ATOM 655 CD1 TRP A 45 -2.117 0.525 -5.552 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.087 0.919 -5.613 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.625 -0.014 -6.716 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.276 0.215 -6.778 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.426 1.278 -5.432 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.653 -0.136 -7.754 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.346 0.929 -6.402 1.00 0.00 C ATOM 662 CH2 TRP A 45 1.956 0.228 -7.552 1.00 0.00 C ATOM 0 H TRP A 45 -2.870 4.388 -3.159 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.355 1.613 -3.650 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.530 2.647 -3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.907 1.120 -2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.151 0.493 -5.243 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.175 -0.505 -7.420 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.736 1.818 -4.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.355 -0.677 -8.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.383 1.201 -6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.699 -0.030 -8.293 1.00 0.00 H new ATOM 673 N GLU A 46 -3.106 1.198 -1.113 1.00 0.00 N ATOM 674 CA GLU A 46 -3.338 1.116 0.324 1.00 0.00 C ATOM 675 C GLU A 46 -2.297 0.221 0.992 1.00 0.00 C ATOM 676 O GLU A 46 -1.957 -0.844 0.479 1.00 0.00 O ATOM 677 CB GLU A 46 -4.743 0.581 0.607 1.00 0.00 C ATOM 678 CG GLU A 46 -5.347 1.109 1.897 1.00 0.00 C ATOM 679 CD GLU A 46 -6.691 0.481 2.211 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.454 0.204 1.262 1.00 0.00 O ATOM 681 OE2 GLU A 46 -6.980 0.268 3.408 1.00 0.00 O ATOM 0 H GLU A 46 -3.154 0.303 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.250 2.120 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.397 0.844 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.706 -0.507 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.659 0.918 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.464 2.190 1.823 1.00 0.00 H new ATOM 688 N GLY A 47 -1.795 0.664 2.141 1.00 0.00 N ATOM 689 CA GLY A 47 -0.798 -0.107 2.861 1.00 0.00 C ATOM 690 C GLY A 47 -0.875 0.102 4.360 1.00 0.00 C ATOM 691 O GLY A 47 -1.485 1.062 4.828 1.00 0.00 O ATOM 0 H GLY A 47 -2.061 1.543 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.931 -1.166 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.196 0.171 2.509 1.00 0.00 H new ATOM 695 N GLU A 48 -0.255 -0.800 5.115 1.00 0.00 N ATOM 696 CA GLU A 48 -0.258 -0.710 6.570 1.00 0.00 C ATOM 697 C GLU A 48 1.083 -0.199 7.087 1.00 0.00 C ATOM 698 O GLU A 48 2.141 -0.702 6.706 1.00 0.00 O ATOM 699 CB GLU A 48 -0.568 -2.076 7.187 1.00 0.00 C ATOM 700 CG GLU A 48 -1.276 -1.991 8.528 1.00 0.00 C ATOM 701 CD GLU A 48 -1.818 -3.331 8.987 1.00 0.00 C ATOM 702 OE1 GLU A 48 -1.092 -4.339 8.865 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.970 -3.371 9.469 1.00 0.00 O ATOM 0 H GLU A 48 0.255 -1.601 4.743 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.034 -0.002 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.187 -2.646 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.363 -2.629 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.583 -1.608 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.096 -1.276 8.457 1.00 0.00 H new ATOM 710 N LEU A 49 1.032 0.805 7.955 1.00 0.00 N ATOM 711 CA LEU A 49 2.243 1.387 8.525 1.00 0.00 C ATOM 712 C LEU A 49 2.019 1.797 9.977 1.00 0.00 C ATOM 713 O LEU A 49 1.095 2.550 10.284 1.00 0.00 O ATOM 714 CB LEU A 49 2.686 2.599 7.703 1.00 0.00 C ATOM 715 CG LEU A 49 3.930 3.332 8.206 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.186 2.733 7.593 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.837 4.818 7.890 1.00 0.00 C ATOM 0 H LEU A 49 0.165 1.233 8.280 1.00 0.00 H new ATOM 0 HA LEU A 49 3.028 0.631 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.871 2.271 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.860 3.309 7.666 1.00 0.00 H new ATOM 0 HG LEU A 49 3.986 3.213 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.061 3.267 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.260 1.681 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.139 2.821 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.731 5.324 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.756 4.956 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.957 5.239 8.377 1.00 0.00 H new ATOM 729 N ASN A 50 2.872 1.298 10.866 1.00 0.00 N ATOM 730 CA ASN A 50 2.768 1.614 12.286 1.00 0.00 C ATOM 731 C ASN A 50 1.356 1.349 12.800 1.00 0.00 C ATOM 732 O ASN A 50 0.873 2.035 13.700 1.00 0.00 O ATOM 733 CB ASN A 50 3.147 3.076 12.533 1.00 0.00 C ATOM 734 CG ASN A 50 2.057 4.037 12.100 1.00 0.00 C ATOM 735 OD1 ASN A 50 1.080 4.249 12.817 1.00 0.00 O ATOM 736 ND2 ASN A 50 2.221 4.624 10.920 1.00 0.00 N ATOM 0 H ASN A 50 3.643 0.673 10.628 1.00 0.00 H new ATOM 0 HA ASN A 50 3.460 0.969 12.828 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.355 3.220 13.593 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.066 3.306 11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.521 5.281 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.047 4.418 10.359 1.00 0.00 H new ATOM 743 N GLY A 51 0.700 0.348 12.222 1.00 0.00 N ATOM 744 CA GLY A 51 -0.650 0.009 12.635 1.00 0.00 C ATOM 745 C GLY A 51 -1.677 1.005 12.134 1.00 0.00 C ATOM 746 O GLY A 51 -2.535 1.457 12.892 1.00 0.00 O ATOM 0 H GLY A 51 1.079 -0.234 11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.901 -0.985 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.693 -0.036 13.723 1.00 0.00 H new ATOM 750 N ARG A 52 -1.589 1.350 10.853 1.00 0.00 N ATOM 751 CA ARG A 52 -2.516 2.301 10.252 1.00 0.00 C ATOM 752 C ARG A 52 -2.854 1.900 8.819 1.00 0.00 C ATOM 753 O ARG A 52 -1.965 1.600 8.022 1.00 0.00 O ATOM 754 CB ARG A 52 -1.919 3.709 10.272 1.00 0.00 C ATOM 755 CG ARG A 52 -1.828 4.313 11.664 1.00 0.00 C ATOM 756 CD ARG A 52 -1.633 5.820 11.605 1.00 0.00 C ATOM 757 NE ARG A 52 -1.841 6.450 12.906 1.00 0.00 N ATOM 758 CZ ARG A 52 -1.450 7.686 13.196 1.00 0.00 C ATOM 759 NH1 ARG A 52 -0.833 8.421 12.281 1.00 0.00 N ATOM 760 NH2 ARG A 52 -1.676 8.189 14.403 1.00 0.00 N ATOM 0 H ARG A 52 -0.885 0.985 10.212 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.435 2.295 10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.922 3.678 9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.525 4.360 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.736 4.084 12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.998 3.858 12.206 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.626 6.042 11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.326 6.247 10.880 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.313 5.911 13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.658 8.038 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.534 9.370 12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.150 7.626 15.109 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.375 9.138 14.624 1.00 0.00 H new ATOM 774 N ARG A 53 -4.144 1.897 8.500 1.00 0.00 N ATOM 775 CA ARG A 53 -4.600 1.531 7.164 1.00 0.00 C ATOM 776 C ARG A 53 -5.142 2.749 6.422 1.00 0.00 C ATOM 777 O ARG A 53 -6.187 3.292 6.780 1.00 0.00 O ATOM 778 CB ARG A 53 -5.678 0.449 7.248 1.00 0.00 C ATOM 779 CG ARG A 53 -5.120 -0.961 7.342 1.00 0.00 C ATOM 780 CD ARG A 53 -6.227 -1.987 7.526 1.00 0.00 C ATOM 781 NE ARG A 53 -7.095 -2.072 6.354 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.811 -3.148 6.047 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.764 -4.223 6.821 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.578 -3.149 4.964 1.00 0.00 N ATOM 0 H ARG A 53 -4.892 2.144 9.148 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.746 1.140 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.306 0.641 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.320 0.519 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.556 -1.191 6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.423 -1.023 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.786 -2.964 7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.823 -1.725 8.400 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.154 -1.261 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.177 -4.226 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.315 -5.048 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.618 -2.323 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.127 -3.976 4.729 1.00 0.00 H new ATOM 798 N GLY A 54 -4.424 3.174 5.387 1.00 0.00 N ATOM 799 CA GLY A 54 -4.849 4.324 4.612 1.00 0.00 C ATOM 800 C GLY A 54 -4.288 4.314 3.203 1.00 0.00 C ATOM 801 O GLY A 54 -3.330 3.597 2.914 1.00 0.00 O ATOM 0 H GLY A 54 -3.555 2.742 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.938 4.345 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.534 5.236 5.119 1.00 0.00 H new ATOM 805 N VAL A 55 -4.887 5.110 2.323 1.00 0.00 N ATOM 806 CA VAL A 55 -4.442 5.190 0.937 1.00 0.00 C ATOM 807 C VAL A 55 -3.233 6.108 0.800 1.00 0.00 C ATOM 808 O VAL A 55 -2.919 6.878 1.708 1.00 0.00 O ATOM 809 CB VAL A 55 -5.566 5.698 0.015 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.715 4.702 -0.026 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.051 7.066 0.471 1.00 0.00 C ATOM 0 H VAL A 55 -5.682 5.709 2.546 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.164 4.180 0.635 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.167 5.797 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.500 5.078 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.354 3.745 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.116 4.568 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.845 7.410 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.433 6.996 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.223 7.774 0.442 1.00 0.00 H new ATOM 821 N PHE A 56 -2.557 6.021 -0.340 1.00 0.00 N ATOM 822 CA PHE A 56 -1.381 6.844 -0.597 1.00 0.00 C ATOM 823 C PHE A 56 -0.987 6.786 -2.070 1.00 0.00 C ATOM 824 O PHE A 56 -1.252 5.810 -2.772 1.00 0.00 O ATOM 825 CB PHE A 56 -0.210 6.383 0.274 1.00 0.00 C ATOM 826 CG PHE A 56 0.242 4.981 -0.022 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.816 4.668 -1.244 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.092 3.977 0.921 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.233 3.379 -1.519 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.507 2.687 0.651 1.00 0.00 C ATOM 831 CZ PHE A 56 1.078 2.387 -0.571 1.00 0.00 C ATOM 0 H PHE A 56 -2.803 5.388 -1.101 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.629 7.875 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.629 7.064 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.500 6.449 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.939 5.440 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.354 4.205 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.680 3.148 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.385 1.913 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.402 1.379 -0.784 1.00 0.00 H new ATOM 841 N PRO A 57 -0.340 7.858 -2.551 1.00 0.00 N ATOM 842 CA PRO A 57 0.104 7.955 -3.945 1.00 0.00 C ATOM 843 C PRO A 57 1.252 7.000 -4.255 1.00 0.00 C ATOM 844 O PRO A 57 2.341 7.120 -3.694 1.00 0.00 O ATOM 845 CB PRO A 57 0.570 9.408 -4.069 1.00 0.00 C ATOM 846 CG PRO A 57 0.943 9.806 -2.683 1.00 0.00 C ATOM 847 CD PRO A 57 0.009 9.057 -1.772 1.00 0.00 C ATOM 0 HA PRO A 57 -0.687 7.686 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.418 9.495 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.221 10.045 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.982 9.553 -2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.842 10.883 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.490 8.797 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.874 9.648 -1.527 1.00 0.00 H new ATOM 855 N ASP A 58 1.001 6.052 -5.152 1.00 0.00 N ATOM 856 CA ASP A 58 2.014 5.077 -5.538 1.00 0.00 C ATOM 857 C ASP A 58 3.305 5.772 -5.958 1.00 0.00 C ATOM 858 O ASP A 58 4.400 5.259 -5.732 1.00 0.00 O ATOM 859 CB ASP A 58 1.499 4.199 -6.679 1.00 0.00 C ATOM 860 CG ASP A 58 2.623 3.578 -7.485 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.684 3.283 -6.895 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.442 3.386 -8.706 1.00 0.00 O ATOM 0 H ASP A 58 0.105 5.938 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 58 2.226 4.448 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.870 3.409 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.871 4.797 -7.339 1.00 0.00 H new ATOM 867 N ASN A 59 3.168 6.943 -6.572 1.00 0.00 N ATOM 868 CA ASN A 59 4.324 7.709 -7.025 1.00 0.00 C ATOM 869 C ASN A 59 5.254 8.031 -5.859 1.00 0.00 C ATOM 870 O ASN A 59 6.448 8.264 -6.050 1.00 0.00 O ATOM 871 CB ASN A 59 3.871 9.003 -7.703 1.00 0.00 C ATOM 872 CG ASN A 59 5.002 10.000 -7.861 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.974 9.746 -8.573 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.881 11.142 -7.194 1.00 0.00 N ATOM 0 H ASN A 59 2.268 7.382 -6.767 1.00 0.00 H new ATOM 0 HA ASN A 59 4.871 7.102 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.456 8.770 -8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.071 9.456 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.611 11.851 -7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.058 11.310 -6.616 1.00 0.00 H new ATOM 881 N PHE A 60 4.699 8.041 -4.652 1.00 0.00 N ATOM 882 CA PHE A 60 5.478 8.335 -3.455 1.00 0.00 C ATOM 883 C PHE A 60 6.129 7.069 -2.905 1.00 0.00 C ATOM 884 O PHE A 60 6.800 7.100 -1.873 1.00 0.00 O ATOM 885 CB PHE A 60 4.589 8.971 -2.385 1.00 0.00 C ATOM 886 CG PHE A 60 4.305 10.425 -2.627 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.634 10.833 -3.769 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.708 11.386 -1.714 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.372 12.171 -3.995 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.449 12.725 -1.934 1.00 0.00 C ATOM 891 CZ PHE A 60 3.779 13.118 -3.076 1.00 0.00 C ATOM 0 H PHE A 60 3.713 7.849 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 60 6.265 9.038 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.645 8.428 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.069 8.860 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.312 10.097 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.231 11.084 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.849 12.476 -4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.770 13.463 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.574 14.164 -3.250 1.00 0.00 H new ATOM 901 N VAL A 61 5.925 5.956 -3.602 1.00 0.00 N ATOM 902 CA VAL A 61 6.492 4.678 -3.185 1.00 0.00 C ATOM 903 C VAL A 61 6.962 3.868 -4.388 1.00 0.00 C ATOM 904 O VAL A 61 6.722 4.242 -5.536 1.00 0.00 O ATOM 905 CB VAL A 61 5.472 3.846 -2.386 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.067 4.575 -1.114 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.253 3.533 -3.242 1.00 0.00 C ATOM 0 H VAL A 61 5.372 5.913 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 61 7.346 4.903 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 61 5.941 2.904 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.346 3.972 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.948 4.743 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.616 5.533 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.542 2.944 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.781 4.464 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.561 2.966 -4.121 1.00 0.00 H new ATOM 917 N LYS A 62 7.635 2.754 -4.116 1.00 0.00 N ATOM 918 CA LYS A 62 8.139 1.887 -5.175 1.00 0.00 C ATOM 919 C LYS A 62 7.884 0.420 -4.845 1.00 0.00 C ATOM 920 O LYS A 62 7.809 0.040 -3.675 1.00 0.00 O ATOM 921 CB LYS A 62 9.637 2.121 -5.384 1.00 0.00 C ATOM 922 CG LYS A 62 10.516 1.282 -4.472 1.00 0.00 C ATOM 923 CD LYS A 62 11.907 1.879 -4.336 1.00 0.00 C ATOM 924 CE LYS A 62 12.731 1.663 -5.596 1.00 0.00 C ATOM 925 NZ LYS A 62 14.182 1.901 -5.357 1.00 0.00 N ATOM 0 H LYS A 62 7.844 2.431 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 62 7.607 2.132 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.889 1.901 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.858 3.175 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.054 1.206 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.591 0.269 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.828 2.946 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.416 1.427 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.584 0.645 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.377 2.332 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.710 1.744 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.325 2.880 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.526 1.245 -4.627 1.00 0.00 H new ATOM 939 N LEU A 63 7.752 -0.400 -5.881 1.00 0.00 N ATOM 940 CA LEU A 63 7.506 -1.827 -5.701 1.00 0.00 C ATOM 941 C LEU A 63 8.819 -2.603 -5.646 1.00 0.00 C ATOM 942 O LEU A 63 9.480 -2.797 -6.667 1.00 0.00 O ATOM 943 CB LEU A 63 6.631 -2.362 -6.836 1.00 0.00 C ATOM 944 CG LEU A 63 5.124 -2.358 -6.580 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.759 -3.389 -5.524 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.658 -0.972 -6.158 1.00 0.00 C ATOM 0 H LEU A 63 7.811 -0.102 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 63 6.984 -1.964 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.829 -1.771 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.939 -3.384 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 63 4.617 -2.623 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.682 -3.371 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.057 -4.380 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.276 -3.155 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.583 -0.988 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.173 -0.678 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.884 -0.256 -6.948 1.00 0.00 H new ATOM 958 N LEU A 64 9.189 -3.046 -4.450 1.00 0.00 N ATOM 959 CA LEU A 64 10.422 -3.803 -4.262 1.00 0.00 C ATOM 960 C LEU A 64 10.249 -5.247 -4.723 1.00 0.00 C ATOM 961 O LEU A 64 9.283 -5.915 -4.356 1.00 0.00 O ATOM 962 CB LEU A 64 10.844 -3.772 -2.793 1.00 0.00 C ATOM 963 CG LEU A 64 10.746 -2.415 -2.095 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.065 -2.551 -0.614 1.00 0.00 C ATOM 965 CD2 LEU A 64 11.678 -1.408 -2.753 1.00 0.00 C ATOM 0 H LEU A 64 8.653 -2.894 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 64 11.201 -3.338 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.230 -4.486 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.875 -4.120 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 64 9.723 -2.051 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.990 -1.575 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.357 -3.238 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.077 -2.937 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.595 -0.448 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.705 -1.766 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.402 -1.287 -3.801 1.00 0.00 H new