USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 406 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-1.7) USER MOD Single : A 21 THR OG1 : rot 40:sc= -0.485 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0227 (180deg=-0.207) USER MOD Single : A 49 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 2.745 -8.041 -12.211 1.00 0.00 N ATOM 90 CA ILE A 10 1.838 -7.085 -11.587 1.00 0.00 C ATOM 91 C ILE A 10 0.554 -7.766 -11.127 1.00 0.00 C ATOM 92 O ILE A 10 -0.031 -8.569 -11.854 1.00 0.00 O ATOM 93 CB ILE A 10 1.481 -5.937 -12.549 1.00 0.00 C ATOM 94 CG1 ILE A 10 2.747 -5.195 -12.985 1.00 0.00 C ATOM 95 CG2 ILE A 10 0.500 -4.979 -11.890 1.00 0.00 C ATOM 96 CD1 ILE A 10 3.699 -4.904 -11.847 1.00 0.00 C ATOM 0 HA ILE A 10 2.359 -6.674 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 10 1.007 -6.360 -13.435 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.265 -5.789 -13.738 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.463 -4.256 -13.459 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.257 -4.173 -12.583 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.411 -5.516 -11.625 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.949 -4.560 -10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.573 -4.377 -12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.198 -4.284 -11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.013 -5.841 -11.387 1.00 0.00 H new ATOM 108 N VAL A 11 0.118 -7.437 -9.915 1.00 0.00 N ATOM 109 CA VAL A 11 -1.100 -8.015 -9.358 1.00 0.00 C ATOM 110 C VAL A 11 -1.960 -6.946 -8.692 1.00 0.00 C ATOM 111 O VAL A 11 -1.444 -5.972 -8.145 1.00 0.00 O ATOM 112 CB VAL A 11 -0.779 -9.115 -8.329 1.00 0.00 C ATOM 113 CG1 VAL A 11 0.000 -8.540 -7.156 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.058 -9.786 -7.851 1.00 0.00 C ATOM 0 H VAL A 11 0.590 -6.774 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.651 -8.455 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.157 -9.869 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.217 -9.333 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.935 -8.110 -7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.593 -7.765 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.813 -10.561 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.706 -9.044 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.573 -10.235 -8.700 1.00 0.00 H new ATOM 124 N SER A 12 -3.274 -7.136 -8.743 1.00 0.00 N ATOM 125 CA SER A 12 -4.207 -6.187 -8.147 1.00 0.00 C ATOM 126 C SER A 12 -4.899 -6.796 -6.931 1.00 0.00 C ATOM 127 O SER A 12 -5.249 -7.975 -6.928 1.00 0.00 O ATOM 128 CB SER A 12 -5.251 -5.751 -9.177 1.00 0.00 C ATOM 129 OG SER A 12 -4.794 -4.640 -9.928 1.00 0.00 O ATOM 0 H SER A 12 -3.717 -7.938 -9.191 1.00 0.00 H new ATOM 0 HA SER A 12 -3.641 -5.314 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.473 -6.581 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.181 -5.493 -8.670 1.00 0.00 H new ATOM 0 HG SER A 12 -5.479 -4.382 -10.580 1.00 0.00 H new ATOM 135 N ALA A 13 -5.093 -5.981 -5.899 1.00 0.00 N ATOM 136 CA ALA A 13 -5.744 -6.437 -4.677 1.00 0.00 C ATOM 137 C ALA A 13 -6.923 -5.540 -4.316 1.00 0.00 C ATOM 138 O ALA A 13 -6.989 -4.386 -4.739 1.00 0.00 O ATOM 139 CB ALA A 13 -4.744 -6.484 -3.532 1.00 0.00 C ATOM 0 H ALA A 13 -4.809 -5.002 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.126 -7.443 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.244 -6.826 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.936 -7.172 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.334 -5.488 -3.366 1.00 0.00 H new ATOM 145 N GLU A 14 -7.852 -6.078 -3.532 1.00 0.00 N ATOM 146 CA GLU A 14 -9.029 -5.325 -3.116 1.00 0.00 C ATOM 147 C GLU A 14 -8.977 -5.014 -1.623 1.00 0.00 C ATOM 148 O GLU A 14 -8.867 -5.916 -0.794 1.00 0.00 O ATOM 149 CB GLU A 14 -10.303 -6.108 -3.441 1.00 0.00 C ATOM 150 CG GLU A 14 -11.579 -5.387 -3.039 1.00 0.00 C ATOM 151 CD GLU A 14 -12.817 -5.999 -3.665 1.00 0.00 C ATOM 152 OE1 GLU A 14 -12.749 -6.402 -4.845 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.854 -6.077 -2.974 1.00 0.00 O ATOM 0 H GLU A 14 -7.812 -7.032 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.039 -4.383 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.332 -6.311 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.266 -7.073 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.677 -5.408 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.508 -4.340 -3.333 1.00 0.00 H new ATOM 160 N ALA A 15 -9.054 -3.730 -1.289 1.00 0.00 N ATOM 161 CA ALA A 15 -9.017 -3.299 0.103 1.00 0.00 C ATOM 162 C ALA A 15 -10.316 -3.649 0.821 1.00 0.00 C ATOM 163 O ALA A 15 -11.338 -2.987 0.635 1.00 0.00 O ATOM 164 CB ALA A 15 -8.752 -1.803 0.185 1.00 0.00 C ATOM 0 H ALA A 15 -9.142 -2.970 -1.964 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.204 -3.828 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.727 -1.495 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.794 -1.577 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.545 -1.264 -0.333 1.00 0.00 H new ATOM 170 N VAL A 16 -10.271 -4.693 1.641 1.00 0.00 N ATOM 171 CA VAL A 16 -11.445 -5.131 2.387 1.00 0.00 C ATOM 172 C VAL A 16 -11.492 -4.484 3.767 1.00 0.00 C ATOM 173 O VAL A 16 -12.568 -4.219 4.303 1.00 0.00 O ATOM 174 CB VAL A 16 -11.468 -6.662 2.550 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.839 -7.333 1.236 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.124 -7.165 3.054 1.00 0.00 C ATOM 0 H VAL A 16 -9.434 -5.252 1.806 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.318 -4.821 1.813 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.226 -6.920 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.850 -8.415 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.827 -6.996 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.106 -7.070 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.159 -8.249 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.345 -6.897 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.904 -6.710 4.020 1.00 0.00 H new ATOM 186 N TRP A 17 -10.319 -4.232 4.336 1.00 0.00 N ATOM 187 CA TRP A 17 -10.225 -3.614 5.654 1.00 0.00 C ATOM 188 C TRP A 17 -9.458 -2.299 5.586 1.00 0.00 C ATOM 189 O TRP A 17 -8.277 -2.276 5.238 1.00 0.00 O ATOM 190 CB TRP A 17 -9.544 -4.566 6.638 1.00 0.00 C ATOM 191 CG TRP A 17 -10.455 -5.640 7.153 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.244 -6.471 6.410 1.00 0.00 C ATOM 193 CD2 TRP A 17 -10.671 -5.997 8.522 1.00 0.00 C ATOM 194 NE1 TRP A 17 -11.938 -7.323 7.235 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.603 -7.053 8.536 1.00 0.00 C ATOM 196 CE3 TRP A 17 -10.166 -5.529 9.738 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.040 -7.645 9.718 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -10.601 -6.117 10.911 1.00 0.00 C ATOM 199 CH2 TRP A 17 -11.530 -7.166 10.894 1.00 0.00 C ATOM 0 H TRP A 17 -9.419 -4.446 3.906 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.236 -3.404 6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.687 -5.030 6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.159 -3.992 7.480 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.312 -6.460 5.332 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.596 -8.040 6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.448 -4.722 9.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -12.756 -8.453 9.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -10.218 -5.762 11.856 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.850 -7.605 11.827 1.00 0.00 H new ATOM 210 N ASP A 18 -10.135 -1.206 5.920 1.00 0.00 N ATOM 211 CA ASP A 18 -9.515 0.114 5.898 1.00 0.00 C ATOM 212 C ASP A 18 -8.181 0.101 6.638 1.00 0.00 C ATOM 213 O ASP A 18 -8.111 -0.287 7.805 1.00 0.00 O ATOM 214 CB ASP A 18 -10.450 1.151 6.524 1.00 0.00 C ATOM 215 CG ASP A 18 -11.200 0.604 7.722 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.163 -0.164 7.520 1.00 0.00 O ATOM 217 OD2 ASP A 18 -10.824 0.946 8.864 1.00 0.00 O ATOM 0 H ASP A 18 -11.113 -1.208 6.209 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.330 0.384 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.870 2.022 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.165 1.490 5.775 1.00 0.00 H new ATOM 222 N HIS A 19 -7.125 0.526 5.952 1.00 0.00 N ATOM 223 CA HIS A 19 -5.793 0.562 6.544 1.00 0.00 C ATOM 224 C HIS A 19 -5.449 1.970 7.022 1.00 0.00 C ATOM 225 O HIS A 19 -4.746 2.714 6.339 1.00 0.00 O ATOM 226 CB HIS A 19 -4.749 0.085 5.534 1.00 0.00 C ATOM 227 CG HIS A 19 -3.340 0.206 6.026 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.498 1.233 5.653 1.00 0.00 N ATOM 229 CD2 HIS A 19 -2.626 -0.577 6.868 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.326 1.075 6.243 1.00 0.00 C ATOM 231 NE2 HIS A 19 -1.378 -0.016 6.986 1.00 0.00 N ATOM 0 H HIS A 19 -7.166 0.850 4.986 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.787 -0.107 7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.949 -0.956 5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.855 0.661 4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.742 1.995 5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.973 -1.476 7.356 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.471 1.727 6.136 1.00 0.00 H new ATOM 240 N VAL A 20 -5.950 2.328 8.200 1.00 0.00 N ATOM 241 CA VAL A 20 -5.696 3.646 8.770 1.00 0.00 C ATOM 242 C VAL A 20 -4.203 3.953 8.800 1.00 0.00 C ATOM 243 O VAL A 20 -3.392 3.111 9.187 1.00 0.00 O ATOM 244 CB VAL A 20 -6.261 3.758 10.199 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.770 3.571 10.192 1.00 0.00 C ATOM 246 CG2 VAL A 20 -5.594 2.744 11.116 1.00 0.00 C ATOM 0 H VAL A 20 -6.534 1.724 8.778 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.200 4.370 8.130 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.044 4.756 10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.152 3.653 11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.229 4.339 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.013 2.587 9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.005 2.837 12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.778 1.737 10.740 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.520 2.930 11.144 1.00 0.00 H new ATOM 256 N THR A 21 -3.845 5.166 8.389 1.00 0.00 N ATOM 257 CA THR A 21 -2.450 5.585 8.368 1.00 0.00 C ATOM 258 C THR A 21 -2.183 6.661 9.414 1.00 0.00 C ATOM 259 O THR A 21 -2.549 7.822 9.231 1.00 0.00 O ATOM 260 CB THR A 21 -2.045 6.121 6.981 1.00 0.00 C ATOM 261 OG1 THR A 21 -2.895 7.212 6.611 1.00 0.00 O ATOM 262 CG2 THR A 21 -2.132 5.024 5.930 1.00 0.00 C ATOM 0 H THR A 21 -4.503 5.875 8.066 1.00 0.00 H new ATOM 0 HA THR A 21 -1.852 4.703 8.597 1.00 0.00 H new ATOM 0 HB THR A 21 -1.013 6.467 7.036 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.070 7.771 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.842 5.426 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.462 4.208 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.155 4.651 5.877 1.00 0.00 H new ATOM 270 N MET A 22 -1.542 6.268 10.510 1.00 0.00 N ATOM 271 CA MET A 22 -1.225 7.201 11.585 1.00 0.00 C ATOM 272 C MET A 22 0.261 7.150 11.928 1.00 0.00 C ATOM 273 O MET A 22 0.640 7.225 13.096 1.00 0.00 O ATOM 274 CB MET A 22 -2.058 6.883 12.827 1.00 0.00 C ATOM 275 CG MET A 22 -3.448 7.499 12.801 1.00 0.00 C ATOM 276 SD MET A 22 -3.408 9.299 12.691 1.00 0.00 S ATOM 277 CE MET A 22 -3.472 9.745 14.425 1.00 0.00 C ATOM 0 H MET A 22 -1.232 5.311 10.677 1.00 0.00 H new ATOM 0 HA MET A 22 -1.467 8.207 11.243 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.151 5.801 12.925 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.528 7.239 13.711 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.003 7.099 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.988 7.206 13.701 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.455 10.831 14.522 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.389 9.356 14.867 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.611 9.321 14.942 1.00 0.00 H new ATOM 287 N ALA A 23 1.096 7.022 10.902 1.00 0.00 N ATOM 288 CA ALA A 23 2.540 6.962 11.096 1.00 0.00 C ATOM 289 C ALA A 23 3.234 8.140 10.420 1.00 0.00 C ATOM 290 O ALA A 23 3.670 9.080 11.084 1.00 0.00 O ATOM 291 CB ALA A 23 3.090 5.647 10.564 1.00 0.00 C ATOM 0 H ALA A 23 0.798 6.958 9.929 1.00 0.00 H new ATOM 0 HA ALA A 23 2.741 7.021 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.169 5.616 10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.625 4.817 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.871 5.565 9.499 1.00 0.00 H new ATOM 297 N ASN A 24 3.332 8.083 9.096 1.00 0.00 N ATOM 298 CA ASN A 24 3.974 9.145 8.330 1.00 0.00 C ATOM 299 C ASN A 24 3.764 8.939 6.833 1.00 0.00 C ATOM 300 O ASN A 24 4.311 8.008 6.242 1.00 0.00 O ATOM 301 CB ASN A 24 5.470 9.196 8.645 1.00 0.00 C ATOM 302 CG ASN A 24 6.087 10.539 8.304 1.00 0.00 C ATOM 303 OD1 ASN A 24 5.914 11.051 7.199 1.00 0.00 O ATOM 304 ND2 ASN A 24 6.812 11.115 9.256 1.00 0.00 N ATOM 0 H ASN A 24 2.975 7.312 8.531 1.00 0.00 H new ATOM 0 HA ASN A 24 3.517 10.093 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.623 8.987 9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.983 8.412 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.252 12.019 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.928 10.653 10.158 1.00 0.00 H new ATOM 311 N ARG A 25 2.970 9.815 6.227 1.00 0.00 N ATOM 312 CA ARG A 25 2.687 9.729 4.799 1.00 0.00 C ATOM 313 C ARG A 25 2.614 8.274 4.345 1.00 0.00 C ATOM 314 O ARG A 25 3.130 7.917 3.287 1.00 0.00 O ATOM 315 CB ARG A 25 3.761 10.470 4.000 1.00 0.00 C ATOM 316 CG ARG A 25 3.447 11.940 3.775 1.00 0.00 C ATOM 317 CD ARG A 25 4.621 12.670 3.141 1.00 0.00 C ATOM 318 NE ARG A 25 4.882 12.209 1.781 1.00 0.00 N ATOM 319 CZ ARG A 25 5.603 12.892 0.899 1.00 0.00 C ATOM 320 NH1 ARG A 25 6.132 14.061 1.234 1.00 0.00 N ATOM 321 NH2 ARG A 25 5.797 12.407 -0.321 1.00 0.00 N ATOM 0 H ARG A 25 2.511 10.592 6.702 1.00 0.00 H new ATOM 0 HA ARG A 25 1.720 10.197 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.713 10.387 4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.885 9.982 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.571 12.032 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.196 12.409 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.418 13.741 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.512 12.522 3.751 1.00 0.00 H new ATOM 0 HE ARG A 25 4.489 11.313 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.986 14.437 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.685 14.584 0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.392 11.508 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.351 12.933 -0.997 1.00 0.00 H new ATOM 335 N GLU A 26 1.970 7.439 5.155 1.00 0.00 N ATOM 336 CA GLU A 26 1.831 6.023 4.837 1.00 0.00 C ATOM 337 C GLU A 26 0.674 5.794 3.868 1.00 0.00 C ATOM 338 O GLU A 26 -0.294 6.555 3.848 1.00 0.00 O ATOM 339 CB GLU A 26 1.610 5.210 6.114 1.00 0.00 C ATOM 340 CG GLU A 26 2.001 3.747 5.980 1.00 0.00 C ATOM 341 CD GLU A 26 3.430 3.567 5.506 1.00 0.00 C ATOM 342 OE1 GLU A 26 4.356 3.773 6.317 1.00 0.00 O ATOM 343 OE2 GLU A 26 3.622 3.220 4.321 1.00 0.00 O ATOM 0 H GLU A 26 1.537 7.719 6.035 1.00 0.00 H new ATOM 0 HA GLU A 26 2.753 5.692 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.185 5.658 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.559 5.272 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.876 3.252 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.325 3.257 5.279 1.00 0.00 H new ATOM 350 N LEU A 27 0.782 4.740 3.066 1.00 0.00 N ATOM 351 CA LEU A 27 -0.254 4.409 2.094 1.00 0.00 C ATOM 352 C LEU A 27 -1.579 4.113 2.790 1.00 0.00 C ATOM 353 O LEU A 27 -1.724 3.093 3.462 1.00 0.00 O ATOM 354 CB LEU A 27 0.174 3.205 1.253 1.00 0.00 C ATOM 355 CG LEU A 27 -0.369 3.158 -0.176 1.00 0.00 C ATOM 356 CD1 LEU A 27 -1.828 2.730 -0.179 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.207 4.512 -0.853 1.00 0.00 C ATOM 0 H LEU A 27 1.576 4.100 3.070 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.393 5.270 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.263 3.187 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.138 2.297 1.769 1.00 0.00 H new ATOM 0 HG LEU A 27 0.205 2.422 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.197 2.702 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.917 1.739 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.417 3.442 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.599 4.460 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.755 5.268 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.849 4.779 -0.885 1.00 0.00 H new ATOM 369 N ALA A 28 -2.544 5.012 2.621 1.00 0.00 N ATOM 370 CA ALA A 28 -3.858 4.845 3.229 1.00 0.00 C ATOM 371 C ALA A 28 -4.901 4.460 2.185 1.00 0.00 C ATOM 372 O ALA A 28 -4.805 4.853 1.023 1.00 0.00 O ATOM 373 CB ALA A 28 -4.273 6.120 3.947 1.00 0.00 C ATOM 0 H ALA A 28 -2.440 5.863 2.068 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.794 4.036 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.256 5.981 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.547 6.351 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.313 6.943 3.233 1.00 0.00 H new ATOM 379 N PHE A 29 -5.896 3.687 2.607 1.00 0.00 N ATOM 380 CA PHE A 29 -6.956 3.247 1.708 1.00 0.00 C ATOM 381 C PHE A 29 -8.181 2.788 2.494 1.00 0.00 C ATOM 382 O PHE A 29 -8.060 2.251 3.595 1.00 0.00 O ATOM 383 CB PHE A 29 -6.456 2.112 0.812 1.00 0.00 C ATOM 384 CG PHE A 29 -5.642 1.084 1.545 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.259 0.032 2.203 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.259 1.170 1.576 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.512 -0.914 2.879 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.507 0.226 2.250 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.134 -0.818 2.901 1.00 0.00 C ATOM 0 H PHE A 29 -5.990 3.352 3.566 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.243 4.093 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.312 1.622 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.854 2.534 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.336 -0.050 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.763 1.984 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.005 -1.728 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.430 0.305 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.548 -1.558 3.426 1.00 0.00 H new ATOM 399 N LYS A 30 -9.360 3.003 1.920 1.00 0.00 N ATOM 400 CA LYS A 30 -10.608 2.612 2.565 1.00 0.00 C ATOM 401 C LYS A 30 -11.197 1.371 1.901 1.00 0.00 C ATOM 402 O LYS A 30 -10.926 1.092 0.734 1.00 0.00 O ATOM 403 CB LYS A 30 -11.617 3.761 2.509 1.00 0.00 C ATOM 404 CG LYS A 30 -12.058 4.114 1.099 1.00 0.00 C ATOM 405 CD LYS A 30 -11.159 5.172 0.482 1.00 0.00 C ATOM 406 CE LYS A 30 -11.918 6.038 -0.512 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.545 7.218 0.146 1.00 0.00 N ATOM 0 H LYS A 30 -9.477 3.446 1.009 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.392 2.378 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.494 3.493 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.177 4.643 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.046 3.218 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.086 4.475 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.742 5.800 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.320 4.690 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.237 6.377 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.689 5.441 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.053 7.783 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.214 6.895 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.807 7.801 0.589 1.00 0.00 H new ATOM 421 N ALA A 31 -12.004 0.630 2.654 1.00 0.00 N ATOM 422 CA ALA A 31 -12.634 -0.578 2.137 1.00 0.00 C ATOM 423 C ALA A 31 -13.368 -0.299 0.830 1.00 0.00 C ATOM 424 O ALA A 31 -14.431 0.320 0.823 1.00 0.00 O ATOM 425 CB ALA A 31 -13.591 -1.157 3.168 1.00 0.00 C ATOM 0 H ALA A 31 -12.236 0.845 3.624 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.850 -1.308 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.054 -2.059 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.041 -1.403 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.364 -0.424 3.399 1.00 0.00 H new ATOM 431 N GLY A 32 -12.793 -0.760 -0.277 1.00 0.00 N ATOM 432 CA GLY A 32 -13.406 -0.549 -1.575 1.00 0.00 C ATOM 433 C GLY A 32 -12.430 0.005 -2.594 1.00 0.00 C ATOM 434 O GLY A 32 -12.572 -0.234 -3.794 1.00 0.00 O ATOM 0 H GLY A 32 -11.913 -1.276 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.811 -1.493 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.245 0.138 -1.470 1.00 0.00 H new ATOM 438 N ASP A 33 -11.438 0.750 -2.117 1.00 0.00 N ATOM 439 CA ASP A 33 -10.435 1.340 -2.996 1.00 0.00 C ATOM 440 C ASP A 33 -9.567 0.260 -3.633 1.00 0.00 C ATOM 441 O ASP A 33 -9.096 -0.653 -2.955 1.00 0.00 O ATOM 442 CB ASP A 33 -9.559 2.322 -2.217 1.00 0.00 C ATOM 443 CG ASP A 33 -10.114 3.733 -2.235 1.00 0.00 C ATOM 444 OD1 ASP A 33 -11.331 3.890 -2.465 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.330 4.681 -2.017 1.00 0.00 O ATOM 0 H ASP A 33 -11.307 0.959 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.954 1.878 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.468 1.984 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.555 2.324 -2.641 1.00 0.00 H new ATOM 450 N VAL A 34 -9.360 0.370 -4.942 1.00 0.00 N ATOM 451 CA VAL A 34 -8.549 -0.598 -5.671 1.00 0.00 C ATOM 452 C VAL A 34 -7.091 -0.156 -5.733 1.00 0.00 C ATOM 453 O VAL A 34 -6.789 0.969 -6.132 1.00 0.00 O ATOM 454 CB VAL A 34 -9.073 -0.802 -7.105 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.203 -1.800 -7.854 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.524 -1.260 -7.081 1.00 0.00 C ATOM 0 H VAL A 34 -9.743 1.119 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.618 -1.541 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.025 0.152 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.588 -1.932 -8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.180 -1.427 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.217 -2.757 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.878 -1.399 -8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.599 -2.203 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.135 -0.506 -6.584 1.00 0.00 H new ATOM 466 N ILE A 35 -6.191 -1.050 -5.336 1.00 0.00 N ATOM 467 CA ILE A 35 -4.764 -0.753 -5.348 1.00 0.00 C ATOM 468 C ILE A 35 -4.019 -1.672 -6.310 1.00 0.00 C ATOM 469 O ILE A 35 -4.385 -2.835 -6.484 1.00 0.00 O ATOM 470 CB ILE A 35 -4.148 -0.891 -3.943 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.975 -0.108 -2.921 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.706 -0.407 -3.947 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.909 -0.683 -1.524 1.00 0.00 C ATOM 0 H ILE A 35 -6.425 -1.985 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.660 0.279 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.157 -1.944 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.626 0.924 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.015 -0.086 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.285 -0.511 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.124 -1.003 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.675 0.640 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.518 -0.078 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.286 -1.706 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.875 -0.680 -1.178 1.00 0.00 H new ATOM 485 N LYS A 36 -2.970 -1.145 -6.931 1.00 0.00 N ATOM 486 CA LYS A 36 -2.170 -1.918 -7.874 1.00 0.00 C ATOM 487 C LYS A 36 -0.809 -2.264 -7.277 1.00 0.00 C ATOM 488 O LYS A 36 0.103 -1.437 -7.265 1.00 0.00 O ATOM 489 CB LYS A 36 -1.983 -1.137 -9.177 1.00 0.00 C ATOM 490 CG LYS A 36 -1.577 -2.007 -10.354 1.00 0.00 C ATOM 491 CD LYS A 36 -1.703 -1.258 -11.670 1.00 0.00 C ATOM 492 CE LYS A 36 -0.471 -0.410 -11.950 1.00 0.00 C ATOM 493 NZ LYS A 36 0.710 -1.247 -12.297 1.00 0.00 N ATOM 0 H LYS A 36 -2.653 -0.185 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.701 -2.846 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.913 -0.623 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.225 -0.369 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.548 -2.342 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.202 -2.899 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.848 -1.970 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.587 -0.620 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.682 0.278 -12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.241 0.197 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.426 -0.658 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.113 -1.655 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.417 -2.013 -12.936 1.00 0.00 H new ATOM 507 N VAL A 37 -0.679 -3.491 -6.783 1.00 0.00 N ATOM 508 CA VAL A 37 0.571 -3.947 -6.187 1.00 0.00 C ATOM 509 C VAL A 37 1.677 -4.038 -7.232 1.00 0.00 C ATOM 510 O VAL A 37 1.420 -4.333 -8.400 1.00 0.00 O ATOM 511 CB VAL A 37 0.403 -5.321 -5.512 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.719 -5.784 -4.907 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.689 -5.265 -4.455 1.00 0.00 C ATOM 0 H VAL A 37 -1.424 -4.187 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 37 0.848 -3.211 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 37 0.106 -6.045 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.580 -6.756 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.471 -5.866 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.050 -5.062 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.794 -6.244 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.424 -4.528 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.633 -4.982 -4.921 1.00 0.00 H new ATOM 523 N LEU A 38 2.909 -3.784 -6.806 1.00 0.00 N ATOM 524 CA LEU A 38 4.057 -3.838 -7.705 1.00 0.00 C ATOM 525 C LEU A 38 5.033 -4.930 -7.277 1.00 0.00 C ATOM 526 O LEU A 38 5.520 -5.700 -8.105 1.00 0.00 O ATOM 527 CB LEU A 38 4.769 -2.485 -7.736 1.00 0.00 C ATOM 528 CG LEU A 38 3.870 -1.257 -7.886 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.709 0.001 -8.053 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.925 -1.429 -9.066 1.00 0.00 C ATOM 0 H LEU A 38 3.139 -3.538 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 38 3.693 -4.073 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.345 -2.379 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.482 -2.491 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 38 3.273 -1.154 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.053 0.865 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.345 0.133 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.331 -0.092 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.293 -0.546 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.504 -1.557 -9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.300 -2.308 -8.906 1.00 0.00 H new ATOM 542 N ASP A 39 5.312 -4.991 -5.980 1.00 0.00 N ATOM 543 CA ASP A 39 6.227 -5.990 -5.441 1.00 0.00 C ATOM 544 C ASP A 39 5.461 -7.104 -4.734 1.00 0.00 C ATOM 545 O ASP A 39 5.301 -7.083 -3.514 1.00 0.00 O ATOM 546 CB ASP A 39 7.215 -5.338 -4.471 1.00 0.00 C ATOM 547 CG ASP A 39 8.469 -4.846 -5.166 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.350 -3.993 -6.071 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.569 -5.312 -4.805 1.00 0.00 O ATOM 0 H ASP A 39 4.918 -4.360 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 39 6.780 -6.426 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.729 -4.501 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.489 -6.057 -3.699 1.00 0.00 H new ATOM 554 N ALA A 40 4.989 -8.075 -5.509 1.00 0.00 N ATOM 555 CA ALA A 40 4.241 -9.197 -4.957 1.00 0.00 C ATOM 556 C ALA A 40 4.856 -10.527 -5.378 1.00 0.00 C ATOM 557 O ALA A 40 4.306 -11.238 -6.220 1.00 0.00 O ATOM 558 CB ALA A 40 2.785 -9.125 -5.393 1.00 0.00 C ATOM 0 H ALA A 40 5.112 -8.107 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 40 4.287 -9.133 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.237 -9.969 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.344 -8.194 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.729 -9.161 -6.481 1.00 0.00 H new ATOM 611 N ASP A 44 5.337 -10.863 2.437 1.00 0.00 N ATOM 612 CA ASP A 44 4.252 -10.504 3.343 1.00 0.00 C ATOM 613 C ASP A 44 3.711 -9.115 3.021 1.00 0.00 C ATOM 614 O ASP A 44 2.505 -8.930 2.857 1.00 0.00 O ATOM 615 CB ASP A 44 4.733 -10.555 4.794 1.00 0.00 C ATOM 616 CG ASP A 44 5.455 -11.847 5.120 1.00 0.00 C ATOM 617 OD1 ASP A 44 4.773 -12.845 5.436 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.702 -11.861 5.058 1.00 0.00 O ATOM 0 HA ASP A 44 3.447 -11.226 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.399 -9.713 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.878 -10.442 5.461 1.00 0.00 H new ATOM 623 N TRP A 45 4.611 -8.142 2.933 1.00 0.00 N ATOM 624 CA TRP A 45 4.223 -6.768 2.632 1.00 0.00 C ATOM 625 C TRP A 45 4.654 -6.378 1.222 1.00 0.00 C ATOM 626 O TRP A 45 5.835 -6.452 0.882 1.00 0.00 O ATOM 627 CB TRP A 45 4.839 -5.808 3.651 1.00 0.00 C ATOM 628 CG TRP A 45 4.207 -5.896 5.007 1.00 0.00 C ATOM 629 CD1 TRP A 45 3.955 -7.032 5.722 1.00 0.00 C ATOM 630 CD2 TRP A 45 3.745 -4.804 5.810 1.00 0.00 C ATOM 631 NE1 TRP A 45 3.364 -6.712 6.921 1.00 0.00 N ATOM 632 CE2 TRP A 45 3.225 -5.352 6.999 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.721 -3.417 5.641 1.00 0.00 C ATOM 634 CZ2 TRP A 45 2.689 -4.560 8.011 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.188 -2.633 6.646 1.00 0.00 C ATOM 636 CH2 TRP A 45 2.678 -3.205 7.819 1.00 0.00 C ATOM 0 H TRP A 45 5.613 -8.278 3.066 1.00 0.00 H new ATOM 0 HA TRP A 45 3.137 -6.701 2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 45 5.905 -6.019 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.746 -4.787 3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.186 -8.035 5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.076 -7.379 7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.112 -2.966 4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.296 -5.000 8.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.164 -1.560 6.525 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.268 -2.565 8.586 1.00 0.00 H new ATOM 647 N TRP A 46 3.691 -5.962 0.408 1.00 0.00 N ATOM 648 CA TRP A 46 3.972 -5.559 -0.965 1.00 0.00 C ATOM 649 C TRP A 46 3.861 -4.047 -1.123 1.00 0.00 C ATOM 650 O TRP A 46 3.470 -3.344 -0.191 1.00 0.00 O ATOM 651 CB TRP A 46 3.012 -6.257 -1.930 1.00 0.00 C ATOM 652 CG TRP A 46 2.948 -7.742 -1.733 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.000 -8.589 -1.538 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.768 -8.553 -1.716 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.547 -9.879 -1.400 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.181 -9.883 -1.504 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.404 -8.286 -1.856 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.278 -10.940 -1.431 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.492 -9.336 -1.783 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.052 -10.650 -1.572 1.00 0.00 C ATOM 0 H TRP A 46 2.709 -5.895 0.675 1.00 0.00 H new ATOM 0 HA TRP A 46 4.994 -5.856 -1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.014 -5.838 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.320 -6.046 -2.954 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.037 -8.289 -1.498 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.132 -10.700 -1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.056 -7.277 -2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.615 -11.953 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.549 -9.141 -1.890 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.777 -11.449 -1.520 1.00 0.00 H new ATOM 671 N TRP A 47 4.206 -3.553 -2.306 1.00 0.00 N ATOM 672 CA TRP A 47 4.144 -2.123 -2.585 1.00 0.00 C ATOM 673 C TRP A 47 2.864 -1.769 -3.334 1.00 0.00 C ATOM 674 O TRP A 47 2.607 -2.285 -4.421 1.00 0.00 O ATOM 675 CB TRP A 47 5.363 -1.688 -3.400 1.00 0.00 C ATOM 676 CG TRP A 47 5.374 -0.223 -3.716 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.907 0.374 -4.853 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.879 0.829 -2.887 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.091 1.734 -4.779 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.685 2.038 -3.583 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.474 0.868 -1.623 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.066 3.270 -3.057 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.853 2.091 -1.102 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.647 3.278 -1.817 1.00 0.00 C ATOM 0 H TRP A 47 4.532 -4.121 -3.088 1.00 0.00 H new ATOM 0 HA TRP A 47 4.144 -1.592 -1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.269 -1.940 -2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.389 -2.254 -4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.459 -0.146 -5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.828 2.408 -5.498 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.635 -0.041 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.909 4.186 -3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.316 2.132 -0.127 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.952 4.218 -1.382 1.00 0.00 H new ATOM 695 N GLY A 48 2.063 -0.886 -2.745 1.00 0.00 N ATOM 696 CA GLY A 48 0.820 -0.478 -3.372 1.00 0.00 C ATOM 697 C GLY A 48 0.975 0.776 -4.209 1.00 0.00 C ATOM 698 O GLY A 48 1.729 1.679 -3.849 1.00 0.00 O ATOM 0 H GLY A 48 2.253 -0.446 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.452 -1.288 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.068 -0.306 -2.602 1.00 0.00 H new ATOM 702 N GLN A 49 0.262 0.830 -5.329 1.00 0.00 N ATOM 703 CA GLN A 49 0.327 1.982 -6.220 1.00 0.00 C ATOM 704 C GLN A 49 -1.071 2.442 -6.619 1.00 0.00 C ATOM 705 O GLN A 49 -1.811 1.709 -7.277 1.00 0.00 O ATOM 706 CB GLN A 49 1.141 1.642 -7.470 1.00 0.00 C ATOM 707 CG GLN A 49 1.307 2.812 -8.426 1.00 0.00 C ATOM 708 CD GLN A 49 2.186 2.476 -9.614 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.115 1.375 -10.162 1.00 0.00 O ATOM 710 NE2 GLN A 49 3.023 3.424 -10.019 1.00 0.00 N ATOM 0 H GLN A 49 -0.367 0.090 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 49 0.818 2.795 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.127 1.289 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.656 0.820 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.326 3.127 -8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.737 3.657 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.049 4.322 -9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.640 3.254 -10.813 1.00 0.00 H new ATOM 719 N ILE A 50 -1.426 3.657 -6.217 1.00 0.00 N ATOM 720 CA ILE A 50 -2.736 4.214 -6.534 1.00 0.00 C ATOM 721 C ILE A 50 -2.613 5.407 -7.475 1.00 0.00 C ATOM 722 O ILE A 50 -1.581 6.077 -7.514 1.00 0.00 O ATOM 723 CB ILE A 50 -3.483 4.653 -5.261 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.641 3.471 -4.302 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.842 5.236 -5.620 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.393 3.817 -3.036 1.00 0.00 C ATOM 0 H ILE A 50 -0.826 4.275 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.305 3.424 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.898 5.425 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.163 2.664 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.653 3.094 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.359 5.542 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.707 6.101 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.436 4.483 -6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.467 2.932 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.861 4.603 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.394 4.166 -3.291 1.00 0.00 H new ATOM 738 N ASP A 51 -3.673 5.668 -8.232 1.00 0.00 N ATOM 739 CA ASP A 51 -3.686 6.783 -9.172 1.00 0.00 C ATOM 740 C ASP A 51 -2.856 7.949 -8.643 1.00 0.00 C ATOM 741 O ASP A 51 -1.855 8.334 -9.246 1.00 0.00 O ATOM 742 CB ASP A 51 -5.122 7.240 -9.434 1.00 0.00 C ATOM 743 CG ASP A 51 -5.985 6.135 -10.011 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.792 5.788 -11.196 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.853 5.617 -9.278 1.00 0.00 O ATOM 0 H ASP A 51 -4.535 5.123 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.245 6.442 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.564 7.593 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.111 8.085 -10.122 1.00 0.00 H new ATOM 750 N ASP A 52 -3.281 8.506 -7.515 1.00 0.00 N ATOM 751 CA ASP A 52 -2.577 9.629 -6.905 1.00 0.00 C ATOM 752 C ASP A 52 -1.750 9.166 -5.709 1.00 0.00 C ATOM 753 O ASP A 52 -0.605 9.583 -5.537 1.00 0.00 O ATOM 754 CB ASP A 52 -3.572 10.705 -6.467 1.00 0.00 C ATOM 755 CG ASP A 52 -4.687 10.907 -7.474 1.00 0.00 C ATOM 756 OD1 ASP A 52 -5.705 10.188 -7.385 1.00 0.00 O ATOM 757 OD2 ASP A 52 -4.542 11.784 -8.351 1.00 0.00 O ATOM 0 H ASP A 52 -4.109 8.199 -7.004 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.902 10.051 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.002 10.428 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.043 11.647 -6.321 1.00 0.00 H new ATOM 762 N GLU A 53 -2.339 8.304 -4.887 1.00 0.00 N ATOM 763 CA GLU A 53 -1.656 7.787 -3.706 1.00 0.00 C ATOM 764 C GLU A 53 -0.633 6.723 -4.092 1.00 0.00 C ATOM 765 O GLU A 53 -0.807 6.011 -5.080 1.00 0.00 O ATOM 766 CB GLU A 53 -2.669 7.203 -2.719 1.00 0.00 C ATOM 767 CG GLU A 53 -3.410 8.257 -1.912 1.00 0.00 C ATOM 768 CD GLU A 53 -4.143 7.671 -0.721 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.321 7.288 -0.880 1.00 0.00 O ATOM 770 OE2 GLU A 53 -3.539 7.594 0.369 1.00 0.00 O ATOM 0 H GLU A 53 -3.286 7.949 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.131 8.615 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.394 6.602 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.151 6.531 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.701 9.008 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.124 8.768 -2.558 1.00 0.00 H new ATOM 777 N GLU A 54 0.433 6.622 -3.304 1.00 0.00 N ATOM 778 CA GLU A 54 1.484 5.646 -3.564 1.00 0.00 C ATOM 779 C GLU A 54 2.210 5.272 -2.275 1.00 0.00 C ATOM 780 O GLU A 54 2.468 6.124 -1.425 1.00 0.00 O ATOM 781 CB GLU A 54 2.483 6.198 -4.583 1.00 0.00 C ATOM 782 CG GLU A 54 1.936 6.260 -5.999 1.00 0.00 C ATOM 783 CD GLU A 54 2.903 6.908 -6.970 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.170 8.119 -6.821 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.393 6.206 -7.879 1.00 0.00 O ATOM 0 H GLU A 54 0.591 7.204 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 54 1.018 4.749 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.787 7.199 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.378 5.576 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.706 5.251 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.999 6.817 -5.999 1.00 0.00 H new ATOM 792 N GLY A 55 2.537 3.990 -2.136 1.00 0.00 N ATOM 793 CA GLY A 55 3.229 3.525 -0.949 1.00 0.00 C ATOM 794 C GLY A 55 3.070 2.034 -0.732 1.00 0.00 C ATOM 795 O GLY A 55 2.564 1.324 -1.601 1.00 0.00 O ATOM 0 H GLY A 55 2.335 3.266 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.289 3.766 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.848 4.058 -0.078 1.00 0.00 H new ATOM 799 N TRP A 56 3.504 1.557 0.430 1.00 0.00 N ATOM 800 CA TRP A 56 3.408 0.139 0.757 1.00 0.00 C ATOM 801 C TRP A 56 2.197 -0.134 1.643 1.00 0.00 C ATOM 802 O TRP A 56 1.532 0.793 2.105 1.00 0.00 O ATOM 803 CB TRP A 56 4.684 -0.331 1.458 1.00 0.00 C ATOM 804 CG TRP A 56 4.776 0.114 2.886 1.00 0.00 C ATOM 805 CD1 TRP A 56 3.903 -0.180 3.894 1.00 0.00 C ATOM 806 CD2 TRP A 56 5.798 0.934 3.464 1.00 0.00 C ATOM 807 NE1 TRP A 56 4.320 0.408 5.064 1.00 0.00 N ATOM 808 CE2 TRP A 56 5.480 1.096 4.827 1.00 0.00 C ATOM 809 CE3 TRP A 56 6.951 1.545 2.964 1.00 0.00 C ATOM 810 CZ2 TRP A 56 6.274 1.845 5.692 1.00 0.00 C ATOM 811 CZ3 TRP A 56 7.737 2.287 3.823 1.00 0.00 C ATOM 812 CH2 TRP A 56 7.397 2.432 5.175 1.00 0.00 C ATOM 0 H TRP A 56 3.925 2.131 1.160 1.00 0.00 H new ATOM 0 HA TRP A 56 3.287 -0.416 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.731 -1.419 1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.549 0.044 0.912 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.015 -0.786 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.843 0.343 5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.222 1.439 1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.013 1.959 6.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.630 2.764 3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.033 3.018 5.821 1.00 0.00 H new ATOM 823 N PHE A 57 1.916 -1.412 1.876 1.00 0.00 N ATOM 824 CA PHE A 57 0.784 -1.807 2.706 1.00 0.00 C ATOM 825 C PHE A 57 0.763 -3.319 2.913 1.00 0.00 C ATOM 826 O PHE A 57 1.215 -4.093 2.069 1.00 0.00 O ATOM 827 CB PHE A 57 -0.528 -1.350 2.067 1.00 0.00 C ATOM 828 CG PHE A 57 -0.914 -2.147 0.853 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.279 -3.478 0.970 1.00 0.00 C ATOM 830 CD2 PHE A 57 -0.910 -1.565 -0.404 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.634 -4.214 -0.145 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.264 -2.295 -1.522 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.626 -3.622 -1.392 1.00 0.00 C ATOM 0 H PHE A 57 2.457 -2.192 1.502 1.00 0.00 H new ATOM 0 HA PHE A 57 0.893 -1.326 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.326 -1.419 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.441 -0.300 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.286 -3.946 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.627 -0.528 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.917 -5.251 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.258 -1.829 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.902 -4.195 -2.265 1.00 0.00 H new ATOM 843 N PRO A 58 0.226 -3.750 4.064 1.00 0.00 N ATOM 844 CA PRO A 58 0.132 -5.172 4.410 1.00 0.00 C ATOM 845 C PRO A 58 -0.881 -5.913 3.545 1.00 0.00 C ATOM 846 O PRO A 58 -2.066 -5.580 3.537 1.00 0.00 O ATOM 847 CB PRO A 58 -0.324 -5.152 5.871 1.00 0.00 C ATOM 848 CG PRO A 58 -1.033 -3.851 6.029 1.00 0.00 C ATOM 849 CD PRO A 58 -0.332 -2.884 5.116 1.00 0.00 C ATOM 0 HA PRO A 58 1.076 -5.694 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.983 -5.991 6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.524 -5.226 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.086 -3.946 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.995 -3.509 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.022 -2.147 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.449 -2.332 5.639 1.00 0.00 H new ATOM 857 N ALA A 59 -0.408 -6.921 2.819 1.00 0.00 N ATOM 858 CA ALA A 59 -1.274 -7.711 1.953 1.00 0.00 C ATOM 859 C ALA A 59 -2.376 -8.395 2.755 1.00 0.00 C ATOM 860 O ALA A 59 -3.494 -8.567 2.270 1.00 0.00 O ATOM 861 CB ALA A 59 -0.457 -8.742 1.189 1.00 0.00 C ATOM 0 H ALA A 59 0.570 -7.210 2.814 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.746 -7.036 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.116 -9.325 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.290 -8.235 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.042 -9.406 1.895 1.00 0.00 H new ATOM 867 N SER A 60 -2.052 -8.784 3.985 1.00 0.00 N ATOM 868 CA SER A 60 -3.014 -9.454 4.852 1.00 0.00 C ATOM 869 C SER A 60 -4.259 -8.593 5.050 1.00 0.00 C ATOM 870 O SER A 60 -5.289 -9.072 5.525 1.00 0.00 O ATOM 871 CB SER A 60 -2.377 -9.768 6.207 1.00 0.00 C ATOM 872 OG SER A 60 -1.907 -8.589 6.836 1.00 0.00 O ATOM 0 H SER A 60 -1.132 -8.647 4.403 1.00 0.00 H new ATOM 0 HA SER A 60 -3.311 -10.387 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.107 -10.260 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.550 -10.465 6.071 1.00 0.00 H new ATOM 0 HG SER A 60 -1.506 -8.817 7.701 1.00 0.00 H new ATOM 878 N PHE A 61 -4.155 -7.321 4.682 1.00 0.00 N ATOM 879 CA PHE A 61 -5.271 -6.392 4.819 1.00 0.00 C ATOM 880 C PHE A 61 -6.120 -6.371 3.552 1.00 0.00 C ATOM 881 O PHE A 61 -7.326 -6.126 3.602 1.00 0.00 O ATOM 882 CB PHE A 61 -4.755 -4.984 5.124 1.00 0.00 C ATOM 883 CG PHE A 61 -4.453 -4.758 6.578 1.00 0.00 C ATOM 884 CD1 PHE A 61 -3.587 -5.599 7.258 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.035 -3.704 7.264 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.308 -5.394 8.596 1.00 0.00 C ATOM 887 CE2 PHE A 61 -4.759 -3.494 8.603 1.00 0.00 C ATOM 888 CZ PHE A 61 -3.894 -4.339 9.269 1.00 0.00 C ATOM 0 H PHE A 61 -3.310 -6.909 4.287 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.894 -6.731 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.852 -4.802 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.497 -4.255 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.125 -6.424 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.712 -3.039 6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.633 -6.058 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.220 -2.670 9.127 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.676 -4.176 10.314 1.00 0.00 H new ATOM 898 N VAL A 62 -5.482 -6.630 2.414 1.00 0.00 N ATOM 899 CA VAL A 62 -6.178 -6.641 1.133 1.00 0.00 C ATOM 900 C VAL A 62 -6.191 -8.041 0.528 1.00 0.00 C ATOM 901 O VAL A 62 -5.194 -8.762 0.584 1.00 0.00 O ATOM 902 CB VAL A 62 -5.528 -5.667 0.133 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.455 -4.267 0.722 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.145 -6.159 -0.268 1.00 0.00 C ATOM 0 H VAL A 62 -4.485 -6.835 2.354 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.202 -6.322 1.325 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.148 -5.626 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.993 -3.593 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.461 -3.917 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.859 -4.287 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.700 -5.459 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.513 -6.231 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.229 -7.141 -0.734 1.00 0.00 H new ATOM 914 N ARG A 63 -7.326 -8.418 -0.051 1.00 0.00 N ATOM 915 CA ARG A 63 -7.469 -9.732 -0.667 1.00 0.00 C ATOM 916 C ARG A 63 -7.228 -9.656 -2.172 1.00 0.00 C ATOM 917 O ARG A 63 -7.740 -8.764 -2.850 1.00 0.00 O ATOM 918 CB ARG A 63 -8.863 -10.299 -0.391 1.00 0.00 C ATOM 919 CG ARG A 63 -9.988 -9.326 -0.702 1.00 0.00 C ATOM 920 CD ARG A 63 -11.352 -9.972 -0.510 1.00 0.00 C ATOM 921 NE ARG A 63 -11.488 -10.580 0.810 1.00 0.00 N ATOM 922 CZ ARG A 63 -12.385 -11.518 1.098 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.219 -11.952 0.164 1.00 0.00 N ATOM 924 NH2 ARG A 63 -12.447 -12.023 2.324 1.00 0.00 N ATOM 0 H ARG A 63 -8.160 -7.833 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.722 -10.394 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.002 -11.203 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.926 -10.591 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.904 -8.452 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.892 -8.974 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.131 -9.222 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.505 -10.732 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.861 -10.268 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.174 -11.566 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.906 -12.672 0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.806 -11.691 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.135 -12.743 2.545 1.00 0.00 H new ATOM 938 N LEU A 64 -6.445 -10.597 -2.688 1.00 0.00 N ATOM 939 CA LEU A 64 -6.135 -10.638 -4.113 1.00 0.00 C ATOM 940 C LEU A 64 -7.411 -10.670 -4.948 1.00 0.00 C ATOM 941 O LEU A 64 -8.490 -10.972 -4.437 1.00 0.00 O ATOM 942 CB LEU A 64 -5.271 -11.859 -4.433 1.00 0.00 C ATOM 943 CG LEU A 64 -3.768 -11.698 -4.203 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.133 -10.923 -5.347 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.504 -11.004 -2.875 1.00 0.00 C ATOM 0 H LEU A 64 -6.013 -11.342 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.581 -9.733 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.623 -12.696 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.431 -12.129 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.316 -12.689 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.063 -10.818 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.292 -11.460 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.588 -9.935 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.429 -10.898 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.969 -10.018 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.925 -11.598 -2.064 1.00 0.00 H new ATOM 957 N TRP A 65 -7.280 -10.359 -6.232 1.00 0.00 N ATOM 958 CA TRP A 65 -8.423 -10.355 -7.138 1.00 0.00 C ATOM 959 C TRP A 65 -8.660 -11.744 -7.722 1.00 0.00 C ATOM 960 O TRP A 65 -9.140 -11.881 -8.848 1.00 0.00 O ATOM 961 CB TRP A 65 -8.204 -9.345 -8.265 1.00 0.00 C ATOM 962 CG TRP A 65 -8.709 -7.972 -7.938 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.635 -7.337 -6.732 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.369 -7.067 -8.831 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.209 -6.091 -6.820 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.665 -5.901 -8.098 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.735 -7.127 -10.178 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.312 -4.808 -8.668 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.377 -6.042 -10.743 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.659 -4.894 -9.989 1.00 0.00 C ATOM 0 H TRP A 65 -6.394 -10.106 -6.670 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.306 -10.066 -6.567 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.139 -9.289 -8.491 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.702 -9.703 -9.166 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.191 -7.752 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.283 -5.417 -6.058 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.520 -8.006 -10.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.532 -3.924 -8.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.667 -6.079 -11.783 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.160 -4.061 -10.460 1.00 0.00 H new