USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=4 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= -0.139 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.87 F(o=-3!,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.6) USER MOD Single : A 60 SER OG : rot -9:sc= 0.72! USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -1.945 -8.080 -15.072 1.00 0.00 N ATOM 90 CA ILE A 10 -1.998 -7.104 -13.990 1.00 0.00 C ATOM 91 C ILE A 10 -2.831 -7.622 -12.823 1.00 0.00 C ATOM 92 O ILE A 10 -3.962 -8.073 -13.005 1.00 0.00 O ATOM 93 CB ILE A 10 -2.585 -5.763 -14.470 1.00 0.00 C ATOM 94 CG1 ILE A 10 -1.756 -5.203 -15.627 1.00 0.00 C ATOM 95 CG2 ILE A 10 -2.640 -4.768 -13.321 1.00 0.00 C ATOM 96 CD1 ILE A 10 -2.146 -5.764 -16.977 1.00 0.00 C ATOM 0 HA ILE A 10 -0.972 -6.944 -13.658 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.601 -5.935 -14.826 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.863 -4.118 -15.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.703 -5.416 -15.445 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.057 -3.825 -13.676 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.269 -5.166 -12.525 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.634 -4.598 -12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.517 -5.323 -17.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.012 -6.846 -16.974 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.191 -5.528 -17.181 1.00 0.00 H new ATOM 108 N VAL A 11 -2.265 -7.553 -11.622 1.00 0.00 N ATOM 109 CA VAL A 11 -2.956 -8.012 -10.423 1.00 0.00 C ATOM 110 C VAL A 11 -3.201 -6.860 -9.455 1.00 0.00 C ATOM 111 O VAL A 11 -2.274 -6.139 -9.085 1.00 0.00 O ATOM 112 CB VAL A 11 -2.157 -9.114 -9.702 1.00 0.00 C ATOM 113 CG1 VAL A 11 -0.748 -8.635 -9.391 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.875 -9.547 -8.432 1.00 0.00 C ATOM 0 H VAL A 11 -1.329 -7.183 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.913 -8.421 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.083 -9.978 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.199 -9.427 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.238 -8.379 -10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.796 -7.756 -8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.297 -10.326 -7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.981 -8.692 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.862 -9.934 -8.686 1.00 0.00 H new ATOM 124 N SER A 12 -4.454 -6.693 -9.046 1.00 0.00 N ATOM 125 CA SER A 12 -4.822 -5.627 -8.122 1.00 0.00 C ATOM 126 C SER A 12 -5.490 -6.195 -6.874 1.00 0.00 C ATOM 127 O SER A 12 -6.212 -7.190 -6.941 1.00 0.00 O ATOM 128 CB SER A 12 -5.760 -4.631 -8.807 1.00 0.00 C ATOM 129 OG SER A 12 -5.028 -3.617 -9.475 1.00 0.00 O ATOM 0 H SER A 12 -5.232 -7.283 -9.340 1.00 0.00 H new ATOM 0 HA SER A 12 -3.910 -5.110 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.394 -5.156 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.420 -4.179 -8.066 1.00 0.00 H new ATOM 0 HG SER A 12 -5.650 -2.994 -9.906 1.00 0.00 H new ATOM 135 N ALA A 13 -5.243 -5.556 -5.735 1.00 0.00 N ATOM 136 CA ALA A 13 -5.821 -5.996 -4.471 1.00 0.00 C ATOM 137 C ALA A 13 -6.963 -5.081 -4.043 1.00 0.00 C ATOM 138 O ALA A 13 -6.902 -3.867 -4.232 1.00 0.00 O ATOM 139 CB ALA A 13 -4.750 -6.049 -3.392 1.00 0.00 C ATOM 0 H ALA A 13 -4.646 -4.732 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.227 -6.998 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.195 -6.379 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.969 -6.749 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.318 -5.057 -3.260 1.00 0.00 H new ATOM 145 N GLU A 14 -8.004 -5.673 -3.465 1.00 0.00 N ATOM 146 CA GLU A 14 -9.161 -4.910 -3.011 1.00 0.00 C ATOM 147 C GLU A 14 -9.165 -4.782 -1.490 1.00 0.00 C ATOM 148 O GLU A 14 -9.368 -5.762 -0.775 1.00 0.00 O ATOM 149 CB GLU A 14 -10.455 -5.575 -3.481 1.00 0.00 C ATOM 150 CG GLU A 14 -11.680 -4.685 -3.351 1.00 0.00 C ATOM 151 CD GLU A 14 -11.513 -3.356 -4.063 1.00 0.00 C ATOM 152 OE1 GLU A 14 -10.775 -2.493 -3.544 1.00 0.00 O ATOM 153 OE2 GLU A 14 -12.121 -3.181 -5.140 1.00 0.00 O ATOM 0 H GLU A 14 -8.070 -6.677 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.097 -3.911 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.342 -5.873 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.615 -6.486 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.547 -5.205 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.883 -4.505 -2.295 1.00 0.00 H new ATOM 160 N ALA A 15 -8.940 -3.565 -1.004 1.00 0.00 N ATOM 161 CA ALA A 15 -8.919 -3.308 0.430 1.00 0.00 C ATOM 162 C ALA A 15 -10.251 -3.678 1.074 1.00 0.00 C ATOM 163 O ALA A 15 -11.238 -2.955 0.941 1.00 0.00 O ATOM 164 CB ALA A 15 -8.588 -1.847 0.700 1.00 0.00 C ATOM 0 H ALA A 15 -8.770 -2.742 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.144 -3.933 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.576 -1.669 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.609 -1.613 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.342 -1.211 0.236 1.00 0.00 H new ATOM 170 N VAL A 16 -10.272 -4.810 1.771 1.00 0.00 N ATOM 171 CA VAL A 16 -11.483 -5.276 2.435 1.00 0.00 C ATOM 172 C VAL A 16 -11.545 -4.780 3.876 1.00 0.00 C ATOM 173 O VAL A 16 -12.625 -4.658 4.455 1.00 0.00 O ATOM 174 CB VAL A 16 -11.571 -6.813 2.429 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.705 -7.335 1.007 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.355 -7.418 3.115 1.00 0.00 C ATOM 0 H VAL A 16 -9.464 -5.421 1.890 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.326 -4.869 1.877 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.460 -7.111 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.766 -8.423 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.609 -6.928 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.837 -7.029 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.433 -8.505 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.451 -7.113 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.309 -7.070 4.147 1.00 0.00 H new ATOM 186 N TRP A 17 -10.381 -4.495 4.448 1.00 0.00 N ATOM 187 CA TRP A 17 -10.303 -4.012 5.822 1.00 0.00 C ATOM 188 C TRP A 17 -9.710 -2.608 5.872 1.00 0.00 C ATOM 189 O TRP A 17 -8.615 -2.368 5.361 1.00 0.00 O ATOM 190 CB TRP A 17 -9.462 -4.965 6.673 1.00 0.00 C ATOM 191 CG TRP A 17 -10.135 -6.279 6.932 1.00 0.00 C ATOM 192 CD1 TRP A 17 -9.923 -7.453 6.268 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.129 -6.552 7.926 1.00 0.00 C ATOM 194 NE1 TRP A 17 -10.725 -8.440 6.788 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.474 -7.912 7.807 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.759 -5.780 8.905 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.422 -8.514 8.631 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -12.700 -6.379 9.722 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.023 -7.735 9.581 1.00 0.00 C ATOM 0 H TRP A 17 -9.479 -4.590 3.982 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.315 -3.974 6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.511 -5.144 6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.236 -4.487 7.626 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.227 -7.586 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -10.758 -9.408 6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.515 -4.734 9.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -12.674 -9.559 8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -13.194 -5.792 10.482 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.761 -8.174 10.236 1.00 0.00 H new ATOM 210 N ASP A 18 -10.437 -1.685 6.490 1.00 0.00 N ATOM 211 CA ASP A 18 -9.981 -0.304 6.608 1.00 0.00 C ATOM 212 C ASP A 18 -8.573 -0.245 7.192 1.00 0.00 C ATOM 213 O ASP A 18 -8.335 -0.695 8.314 1.00 0.00 O ATOM 214 CB ASP A 18 -10.944 0.500 7.483 1.00 0.00 C ATOM 215 CG ASP A 18 -12.397 0.228 7.147 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.886 -0.873 7.477 1.00 0.00 O ATOM 217 OD2 ASP A 18 -13.045 1.116 6.555 1.00 0.00 O ATOM 0 H ASP A 18 -11.345 -1.867 6.917 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.959 0.133 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.765 0.259 8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.739 1.564 7.361 1.00 0.00 H new ATOM 222 N HIS A 19 -7.642 0.311 6.424 1.00 0.00 N ATOM 223 CA HIS A 19 -6.257 0.429 6.865 1.00 0.00 C ATOM 224 C HIS A 19 -5.891 1.887 7.124 1.00 0.00 C ATOM 225 O HIS A 19 -5.158 2.502 6.349 1.00 0.00 O ATOM 226 CB HIS A 19 -5.314 -0.167 5.819 1.00 0.00 C ATOM 227 CG HIS A 19 -3.935 -0.434 6.338 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.516 -1.122 7.426 1.00 0.00 N flip ATOM 229 CD2 HIS A 19 -2.795 0.033 5.719 1.00 0.00 C flip ATOM 230 CE1 HIS A 19 -2.145 -1.061 7.444 1.00 0.00 C flip ATOM 231 NE2 HIS A 19 -1.734 -0.359 6.403 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.821 0.687 5.493 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.151 -0.125 7.798 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.740 -1.099 5.447 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.248 0.514 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.772 0.626 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.506 -1.513 8.188 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.763 -0.154 6.167 1.00 0.00 H new ATOM 240 N VAL A 20 -6.407 2.436 8.219 1.00 0.00 N ATOM 241 CA VAL A 20 -6.135 3.822 8.581 1.00 0.00 C ATOM 242 C VAL A 20 -4.883 3.928 9.445 1.00 0.00 C ATOM 243 O VAL A 20 -4.537 2.998 10.174 1.00 0.00 O ATOM 244 CB VAL A 20 -7.322 4.448 9.336 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.578 4.417 8.479 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.551 3.730 10.658 1.00 0.00 C ATOM 0 H VAL A 20 -7.016 1.942 8.871 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.978 4.368 7.651 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.084 5.490 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.406 4.864 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.407 4.980 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.823 3.385 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.394 4.186 11.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.767 2.679 10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.657 3.811 11.276 1.00 0.00 H new ATOM 256 N THR A 21 -4.207 5.070 9.360 1.00 0.00 N ATOM 257 CA THR A 21 -2.993 5.299 10.133 1.00 0.00 C ATOM 258 C THR A 21 -2.659 6.784 10.205 1.00 0.00 C ATOM 259 O THR A 21 -2.662 7.481 9.190 1.00 0.00 O ATOM 260 CB THR A 21 -1.793 4.543 9.532 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.579 5.246 9.818 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.952 4.385 8.027 1.00 0.00 C ATOM 0 H THR A 21 -4.480 5.851 8.763 1.00 0.00 H new ATOM 0 HA THR A 21 -3.183 4.923 11.138 1.00 0.00 H new ATOM 0 HB THR A 21 -1.753 3.551 9.983 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.180 4.759 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.093 3.848 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.862 3.824 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.015 5.369 7.562 1.00 0.00 H new ATOM 270 N MET A 22 -2.371 7.264 11.410 1.00 0.00 N ATOM 271 CA MET A 22 -2.033 8.668 11.613 1.00 0.00 C ATOM 272 C MET A 22 -0.866 9.080 10.721 1.00 0.00 C ATOM 273 O MET A 22 -0.874 10.163 10.136 1.00 0.00 O ATOM 274 CB MET A 22 -1.683 8.923 13.081 1.00 0.00 C ATOM 275 CG MET A 22 -1.339 10.373 13.380 1.00 0.00 C ATOM 276 SD MET A 22 -1.443 10.763 15.137 1.00 0.00 S ATOM 277 CE MET A 22 -3.106 11.421 15.241 1.00 0.00 C ATOM 0 H MET A 22 -2.365 6.701 12.261 1.00 0.00 H new ATOM 0 HA MET A 22 -2.902 9.268 11.345 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.525 8.622 13.704 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.838 8.293 13.360 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.331 10.584 13.024 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.015 11.024 12.826 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.320 11.708 16.270 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.193 12.295 14.595 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.819 10.661 14.921 1.00 0.00 H new ATOM 287 N ALA A 23 0.134 8.211 10.622 1.00 0.00 N ATOM 288 CA ALA A 23 1.306 8.485 9.800 1.00 0.00 C ATOM 289 C ALA A 23 0.901 8.945 8.404 1.00 0.00 C ATOM 290 O ALA A 23 -0.267 8.863 8.027 1.00 0.00 O ATOM 291 CB ALA A 23 2.191 7.251 9.715 1.00 0.00 C ATOM 0 H ALA A 23 0.156 7.311 11.101 1.00 0.00 H new ATOM 0 HA ALA A 23 1.869 9.291 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.062 7.470 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.517 6.967 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.629 6.430 9.270 1.00 0.00 H new ATOM 297 N ASN A 24 1.875 9.430 7.640 1.00 0.00 N ATOM 298 CA ASN A 24 1.619 9.905 6.285 1.00 0.00 C ATOM 299 C ASN A 24 2.209 8.948 5.253 1.00 0.00 C ATOM 300 O ASN A 24 1.540 8.563 4.295 1.00 0.00 O ATOM 301 CB ASN A 24 2.206 11.304 6.093 1.00 0.00 C ATOM 302 CG ASN A 24 1.615 12.316 7.056 1.00 0.00 C ATOM 303 OD1 ASN A 24 0.408 12.327 7.298 1.00 0.00 O ATOM 304 ND2 ASN A 24 2.465 13.173 7.610 1.00 0.00 N ATOM 0 H ASN A 24 2.848 9.504 7.936 1.00 0.00 H new ATOM 0 HA ASN A 24 0.540 9.948 6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.287 11.264 6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.027 11.633 5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.125 13.877 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.458 13.127 7.380 1.00 0.00 H new ATOM 311 N ARG A 25 3.467 8.568 5.457 1.00 0.00 N ATOM 312 CA ARG A 25 4.147 7.658 4.545 1.00 0.00 C ATOM 313 C ARG A 25 3.383 6.343 4.419 1.00 0.00 C ATOM 314 O ARG A 25 3.065 5.903 3.315 1.00 0.00 O ATOM 315 CB ARG A 25 5.573 7.387 5.030 1.00 0.00 C ATOM 316 CG ARG A 25 6.573 8.448 4.601 1.00 0.00 C ATOM 317 CD ARG A 25 7.990 8.075 5.009 1.00 0.00 C ATOM 318 NE ARG A 25 8.284 8.464 6.385 1.00 0.00 N ATOM 319 CZ ARG A 25 9.515 8.558 6.875 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.561 8.293 6.105 1.00 0.00 N ATOM 321 NH2 ARG A 25 9.702 8.919 8.138 1.00 0.00 N ATOM 0 H ARG A 25 4.035 8.877 6.246 1.00 0.00 H new ATOM 0 HA ARG A 25 4.188 8.130 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.571 7.320 6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.899 6.418 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.527 8.577 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.304 9.405 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.127 6.999 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.700 8.557 4.337 1.00 0.00 H new ATOM 0 HE ARG A 25 7.501 8.675 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.422 8.016 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.505 8.366 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.900 9.125 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.648 8.991 8.513 1.00 0.00 H new ATOM 335 N GLU A 26 3.094 5.721 5.558 1.00 0.00 N ATOM 336 CA GLU A 26 2.369 4.456 5.574 1.00 0.00 C ATOM 337 C GLU A 26 1.135 4.524 4.678 1.00 0.00 C ATOM 338 O GLU A 26 0.115 5.105 5.051 1.00 0.00 O ATOM 339 CB GLU A 26 1.956 4.097 7.003 1.00 0.00 C ATOM 340 CG GLU A 26 3.121 3.685 7.887 1.00 0.00 C ATOM 341 CD GLU A 26 4.360 4.526 7.650 1.00 0.00 C ATOM 342 OE1 GLU A 26 5.048 4.295 6.633 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.642 5.415 8.480 1.00 0.00 O ATOM 0 H GLU A 26 3.351 6.072 6.481 1.00 0.00 H new ATOM 0 HA GLU A 26 3.033 3.682 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.454 4.953 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.231 3.284 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.825 3.767 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.358 2.637 7.704 1.00 0.00 H new ATOM 350 N LEU A 27 1.236 3.928 3.496 1.00 0.00 N ATOM 351 CA LEU A 27 0.129 3.922 2.545 1.00 0.00 C ATOM 352 C LEU A 27 -1.198 3.675 3.257 1.00 0.00 C ATOM 353 O LEU A 27 -1.485 2.558 3.686 1.00 0.00 O ATOM 354 CB LEU A 27 0.355 2.850 1.477 1.00 0.00 C ATOM 355 CG LEU A 27 -0.408 3.040 0.165 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.064 4.381 -0.463 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.101 1.903 -0.799 1.00 0.00 C ATOM 0 H LEU A 27 2.073 3.442 3.172 1.00 0.00 H new ATOM 0 HA LEU A 27 0.087 4.900 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.421 2.808 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.080 1.883 1.897 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.476 3.028 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.616 4.498 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.335 5.184 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.006 4.423 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.652 2.054 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.968 1.884 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.399 0.955 -0.350 1.00 0.00 H new ATOM 369 N ALA A 28 -2.003 4.725 3.376 1.00 0.00 N ATOM 370 CA ALA A 28 -3.301 4.622 4.031 1.00 0.00 C ATOM 371 C ALA A 28 -4.436 4.681 3.014 1.00 0.00 C ATOM 372 O ALA A 28 -4.355 5.404 2.021 1.00 0.00 O ATOM 373 CB ALA A 28 -3.460 5.725 5.066 1.00 0.00 C ATOM 0 H ALA A 28 -1.779 5.657 3.027 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.349 3.657 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.434 5.635 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.675 5.635 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.385 6.696 4.577 1.00 0.00 H new ATOM 379 N PHE A 29 -5.492 3.916 3.267 1.00 0.00 N ATOM 380 CA PHE A 29 -6.643 3.880 2.372 1.00 0.00 C ATOM 381 C PHE A 29 -7.909 3.490 3.129 1.00 0.00 C ATOM 382 O PHE A 29 -7.882 3.283 4.342 1.00 0.00 O ATOM 383 CB PHE A 29 -6.396 2.896 1.228 1.00 0.00 C ATOM 384 CG PHE A 29 -5.833 1.579 1.681 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.668 0.580 2.155 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.469 1.340 1.632 1.00 0.00 C ATOM 387 CE1 PHE A 29 -6.152 -0.632 2.574 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.948 0.130 2.049 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.790 -0.858 2.519 1.00 0.00 C ATOM 0 H PHE A 29 -5.575 3.312 4.085 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.781 4.879 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.334 2.719 0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.710 3.348 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.734 0.750 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.805 2.108 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.813 -1.402 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.883 -0.043 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.385 -1.805 2.843 1.00 0.00 H new ATOM 399 N LYS A 30 -9.018 3.392 2.404 1.00 0.00 N ATOM 400 CA LYS A 30 -10.296 3.027 3.005 1.00 0.00 C ATOM 401 C LYS A 30 -10.899 1.814 2.303 1.00 0.00 C ATOM 402 O LYS A 30 -10.928 1.746 1.075 1.00 0.00 O ATOM 403 CB LYS A 30 -11.270 4.205 2.938 1.00 0.00 C ATOM 404 CG LYS A 30 -10.918 5.340 3.883 1.00 0.00 C ATOM 405 CD LYS A 30 -12.158 6.089 4.342 1.00 0.00 C ATOM 406 CE LYS A 30 -11.802 7.437 4.951 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.359 7.306 6.366 1.00 0.00 N ATOM 0 H LYS A 30 -9.058 3.560 1.399 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.118 2.770 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.295 4.588 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.274 3.849 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.390 4.942 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.238 6.031 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.829 6.237 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.697 5.488 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.010 7.903 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.667 8.098 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.126 8.246 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.123 6.885 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.518 6.696 6.411 1.00 0.00 H new ATOM 421 N ALA A 31 -11.382 0.859 3.092 1.00 0.00 N ATOM 422 CA ALA A 31 -11.988 -0.349 2.547 1.00 0.00 C ATOM 423 C ALA A 31 -12.725 -0.053 1.245 1.00 0.00 C ATOM 424 O ALA A 31 -13.796 0.551 1.250 1.00 0.00 O ATOM 425 CB ALA A 31 -12.935 -0.969 3.563 1.00 0.00 C ATOM 0 H ALA A 31 -11.365 0.899 4.111 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.191 -1.060 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.380 -1.871 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.382 -1.225 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.722 -0.256 3.809 1.00 0.00 H new ATOM 431 N GLY A 32 -12.143 -0.484 0.129 1.00 0.00 N ATOM 432 CA GLY A 32 -12.759 -0.255 -1.165 1.00 0.00 C ATOM 433 C GLY A 32 -11.776 0.277 -2.188 1.00 0.00 C ATOM 434 O GLY A 32 -11.929 0.041 -3.387 1.00 0.00 O ATOM 0 H GLY A 32 -11.256 -0.987 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.189 -1.188 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.581 0.452 -1.053 1.00 0.00 H new ATOM 438 N ASP A 33 -10.765 0.999 -1.717 1.00 0.00 N ATOM 439 CA ASP A 33 -9.753 1.567 -2.600 1.00 0.00 C ATOM 440 C ASP A 33 -8.993 0.467 -3.333 1.00 0.00 C ATOM 441 O ASP A 33 -8.640 -0.556 -2.746 1.00 0.00 O ATOM 442 CB ASP A 33 -8.778 2.434 -1.802 1.00 0.00 C ATOM 443 CG ASP A 33 -9.427 3.698 -1.274 1.00 0.00 C ATOM 444 OD1 ASP A 33 -9.458 4.703 -2.015 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.901 3.684 -0.119 1.00 0.00 O ATOM 0 H ASP A 33 -10.625 1.205 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.258 2.189 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.382 1.856 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.932 2.701 -2.435 1.00 0.00 H new ATOM 450 N VAL A 34 -8.743 0.684 -4.621 1.00 0.00 N ATOM 451 CA VAL A 34 -8.024 -0.289 -5.435 1.00 0.00 C ATOM 452 C VAL A 34 -6.534 0.027 -5.480 1.00 0.00 C ATOM 453 O VAL A 34 -6.137 1.158 -5.765 1.00 0.00 O ATOM 454 CB VAL A 34 -8.573 -0.332 -6.873 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.834 -1.377 -7.696 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.069 -0.610 -6.864 1.00 0.00 C ATOM 0 H VAL A 34 -9.028 1.525 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.172 -1.263 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.410 0.642 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.236 -1.393 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.773 -1.130 -7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.963 -2.358 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.440 -0.637 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.258 -1.570 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.582 0.178 -6.313 1.00 0.00 H new ATOM 466 N ILE A 35 -5.712 -0.978 -5.199 1.00 0.00 N ATOM 467 CA ILE A 35 -4.264 -0.807 -5.210 1.00 0.00 C ATOM 468 C ILE A 35 -3.602 -1.788 -6.172 1.00 0.00 C ATOM 469 O ILE A 35 -3.709 -3.004 -6.008 1.00 0.00 O ATOM 470 CB ILE A 35 -3.664 -0.999 -3.805 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.416 -0.143 -2.784 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.184 -0.650 -3.809 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.435 -0.737 -1.393 1.00 0.00 C ATOM 0 H ILE A 35 -6.024 -1.920 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.069 0.212 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.770 -2.046 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.957 0.845 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.442 -0.004 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.774 -0.791 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.659 -1.298 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.056 0.390 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.985 -0.076 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.921 -1.712 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.413 -0.851 -1.032 1.00 0.00 H new ATOM 485 N LYS A 36 -2.916 -1.253 -7.175 1.00 0.00 N ATOM 486 CA LYS A 36 -2.232 -2.079 -8.163 1.00 0.00 C ATOM 487 C LYS A 36 -0.998 -2.741 -7.558 1.00 0.00 C ATOM 488 O LYS A 36 -0.155 -2.074 -6.958 1.00 0.00 O ATOM 489 CB LYS A 36 -1.830 -1.235 -9.374 1.00 0.00 C ATOM 490 CG LYS A 36 -2.891 -1.185 -10.460 1.00 0.00 C ATOM 491 CD LYS A 36 -2.828 0.117 -11.241 1.00 0.00 C ATOM 492 CE LYS A 36 -1.873 0.014 -12.421 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.854 1.263 -13.231 1.00 0.00 N ATOM 0 H LYS A 36 -2.818 -0.249 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.920 -2.860 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.613 -0.219 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.909 -1.636 -9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.756 -2.026 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.878 -1.294 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.824 0.376 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.507 0.923 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.868 -0.198 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.166 -0.824 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.191 1.152 -14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.808 1.452 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.550 2.059 -12.635 1.00 0.00 H new ATOM 507 N VAL A 37 -0.898 -4.056 -7.721 1.00 0.00 N ATOM 508 CA VAL A 37 0.235 -4.808 -7.194 1.00 0.00 C ATOM 509 C VAL A 37 1.315 -4.991 -8.254 1.00 0.00 C ATOM 510 O VAL A 37 1.234 -5.894 -9.088 1.00 0.00 O ATOM 511 CB VAL A 37 -0.201 -6.191 -6.676 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.003 -6.983 -6.189 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.236 -6.044 -5.571 1.00 0.00 C ATOM 0 H VAL A 37 -1.588 -4.623 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 37 0.640 -4.229 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.658 -6.741 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.675 -7.957 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.706 -7.119 -7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.492 -6.441 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.533 -7.031 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.808 -5.476 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.110 -5.520 -5.958 1.00 0.00 H new ATOM 523 N LEU A 38 2.325 -4.130 -8.217 1.00 0.00 N ATOM 524 CA LEU A 38 3.423 -4.197 -9.175 1.00 0.00 C ATOM 525 C LEU A 38 4.136 -5.543 -9.093 1.00 0.00 C ATOM 526 O LEU A 38 4.570 -6.089 -10.108 1.00 0.00 O ATOM 527 CB LEU A 38 4.419 -3.063 -8.920 1.00 0.00 C ATOM 528 CG LEU A 38 3.888 -1.644 -9.127 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.887 -0.620 -8.613 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.580 -1.400 -10.597 1.00 0.00 C ATOM 0 H LEU A 38 2.407 -3.377 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 38 3.006 -4.088 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.781 -3.148 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.278 -3.207 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 38 2.964 -1.536 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.492 0.384 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.058 -0.781 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.828 -0.727 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.203 -0.385 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.489 -1.527 -11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.827 -2.112 -10.934 1.00 0.00 H new ATOM 542 N ASP A 39 4.251 -6.073 -7.881 1.00 0.00 N ATOM 543 CA ASP A 39 4.908 -7.357 -7.667 1.00 0.00 C ATOM 544 C ASP A 39 4.705 -7.839 -6.234 1.00 0.00 C ATOM 545 O ASP A 39 5.142 -7.192 -5.283 1.00 0.00 O ATOM 546 CB ASP A 39 6.403 -7.247 -7.974 1.00 0.00 C ATOM 547 CG ASP A 39 7.026 -8.588 -8.307 1.00 0.00 C ATOM 548 OD1 ASP A 39 6.452 -9.623 -7.909 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.088 -8.602 -8.965 1.00 0.00 O ATOM 0 H ASP A 39 3.898 -5.633 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 39 4.459 -8.084 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.550 -6.564 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.916 -6.814 -7.115 1.00 0.00 H new ATOM 554 N ALA A 40 4.038 -8.979 -6.088 1.00 0.00 N ATOM 555 CA ALA A 40 3.777 -9.549 -4.772 1.00 0.00 C ATOM 556 C ALA A 40 4.829 -10.590 -4.406 1.00 0.00 C ATOM 557 O ALA A 40 4.553 -11.530 -3.661 1.00 0.00 O ATOM 558 CB ALA A 40 2.386 -10.163 -4.729 1.00 0.00 C ATOM 0 H ALA A 40 3.668 -9.526 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 40 3.830 -8.745 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.205 -10.585 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.642 -9.394 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.313 -10.951 -5.479 1.00 0.00 H new ATOM 611 N ASP A 44 5.332 -10.739 3.169 1.00 0.00 N ATOM 612 CA ASP A 44 3.936 -10.421 3.448 1.00 0.00 C ATOM 613 C ASP A 44 3.599 -9.005 2.990 1.00 0.00 C ATOM 614 O ASP A 44 2.488 -8.739 2.530 1.00 0.00 O ATOM 615 CB ASP A 44 3.645 -10.570 4.942 1.00 0.00 C ATOM 616 CG ASP A 44 3.541 -12.021 5.370 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.619 -12.716 4.893 1.00 0.00 O ATOM 618 OD2 ASP A 44 4.382 -12.461 6.180 1.00 0.00 O ATOM 0 HA ASP A 44 3.312 -11.121 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.434 -10.081 5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.714 -10.056 5.181 1.00 0.00 H new ATOM 623 N TRP A 45 4.564 -8.102 3.120 1.00 0.00 N ATOM 624 CA TRP A 45 4.369 -6.713 2.720 1.00 0.00 C ATOM 625 C TRP A 45 4.817 -6.493 1.280 1.00 0.00 C ATOM 626 O TRP A 45 6.009 -6.534 0.978 1.00 0.00 O ATOM 627 CB TRP A 45 5.139 -5.779 3.655 1.00 0.00 C ATOM 628 CG TRP A 45 4.673 -5.847 5.078 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.268 -6.524 6.104 1.00 0.00 C ATOM 630 CD2 TRP A 45 3.513 -5.215 5.631 1.00 0.00 C ATOM 631 NE1 TRP A 45 4.548 -6.351 7.262 1.00 0.00 N ATOM 632 CE2 TRP A 45 3.468 -5.552 6.998 1.00 0.00 C ATOM 633 CE3 TRP A 45 2.510 -4.397 5.106 1.00 0.00 C ATOM 634 CZ2 TRP A 45 2.458 -5.098 7.843 1.00 0.00 C ATOM 635 CZ3 TRP A 45 1.509 -3.948 5.945 1.00 0.00 C ATOM 636 CH2 TRP A 45 1.489 -4.298 7.302 1.00 0.00 C ATOM 0 H TRP A 45 5.489 -8.306 3.499 1.00 0.00 H new ATOM 0 HA TRP A 45 3.305 -6.487 2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.199 -6.029 3.615 1.00 0.00 H new ATOM 0 HB3 TRP A 45 5.040 -4.755 3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.172 -7.109 6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.781 -6.753 8.170 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.517 -4.120 4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.440 -5.368 8.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.728 -3.316 5.548 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.694 -3.929 7.933 1.00 0.00 H new ATOM 647 N TRP A 46 3.854 -6.259 0.395 1.00 0.00 N ATOM 648 CA TRP A 46 4.151 -6.032 -1.015 1.00 0.00 C ATOM 649 C TRP A 46 4.028 -4.553 -1.366 1.00 0.00 C ATOM 650 O TRP A 46 3.469 -3.769 -0.600 1.00 0.00 O ATOM 651 CB TRP A 46 3.212 -6.858 -1.895 1.00 0.00 C ATOM 652 CG TRP A 46 3.112 -8.293 -1.474 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.128 -9.088 -1.027 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.931 -9.103 -1.462 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.650 -10.344 -0.738 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.305 -10.378 -0.996 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.594 -8.874 -1.798 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.390 -11.418 -0.860 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.313 -9.907 -1.663 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.088 -11.166 -1.196 1.00 0.00 C ATOM 0 H TRP A 46 2.862 -6.222 0.629 1.00 0.00 H new ATOM 0 HA TRP A 46 5.179 -6.345 -1.199 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.218 -6.411 -1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.560 -6.813 -2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.156 -8.776 -0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.206 -11.124 -0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.276 -7.906 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.697 -12.390 -0.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.348 -9.742 -1.922 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.645 -11.953 -1.099 1.00 0.00 H new ATOM 671 N TRP A 47 4.553 -4.180 -2.528 1.00 0.00 N ATOM 672 CA TRP A 47 4.501 -2.794 -2.980 1.00 0.00 C ATOM 673 C TRP A 47 3.317 -2.571 -3.915 1.00 0.00 C ATOM 674 O TRP A 47 3.211 -3.210 -4.961 1.00 0.00 O ATOM 675 CB TRP A 47 5.803 -2.417 -3.687 1.00 0.00 C ATOM 676 CG TRP A 47 5.971 -0.940 -3.876 1.00 0.00 C ATOM 677 CD1 TRP A 47 5.794 -0.237 -5.033 1.00 0.00 C ATOM 678 CD2 TRP A 47 6.350 0.014 -2.878 1.00 0.00 C ATOM 679 NE1 TRP A 47 6.041 1.097 -4.814 1.00 0.00 N ATOM 680 CE2 TRP A 47 6.383 1.277 -3.500 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.662 -0.075 -1.519 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.717 2.439 -2.809 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.994 1.079 -0.834 1.00 0.00 C ATOM 684 CH2 TRP A 47 7.019 2.322 -1.479 1.00 0.00 C ATOM 0 H TRP A 47 5.019 -4.817 -3.174 1.00 0.00 H new ATOM 0 HA TRP A 47 4.374 -2.157 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.645 -2.800 -3.111 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.834 -2.906 -4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.503 -0.666 -5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.980 1.834 -5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.644 -1.029 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 6.737 3.398 -3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.238 1.021 0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 47 7.282 3.205 -0.916 1.00 0.00 H new ATOM 695 N GLY A 48 2.429 -1.659 -3.531 1.00 0.00 N ATOM 696 CA GLY A 48 1.264 -1.368 -4.347 1.00 0.00 C ATOM 697 C GLY A 48 1.363 -0.023 -5.039 1.00 0.00 C ATOM 698 O GLY A 48 2.245 0.777 -4.729 1.00 0.00 O ATOM 0 H GLY A 48 2.495 -1.117 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.144 -2.151 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.372 -1.386 -3.721 1.00 0.00 H new ATOM 702 N GLN A 49 0.456 0.225 -5.979 1.00 0.00 N ATOM 703 CA GLN A 49 0.447 1.482 -6.718 1.00 0.00 C ATOM 704 C GLN A 49 -0.951 2.091 -6.738 1.00 0.00 C ATOM 705 O GLN A 49 -1.885 1.506 -7.287 1.00 0.00 O ATOM 706 CB GLN A 49 0.941 1.260 -8.148 1.00 0.00 C ATOM 707 CG GLN A 49 1.409 2.533 -8.835 1.00 0.00 C ATOM 708 CD GLN A 49 1.817 2.303 -10.276 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.960 1.944 -10.560 1.00 0.00 O ATOM 710 NE2 GLN A 49 0.882 2.509 -11.197 1.00 0.00 N ATOM 0 H GLN A 49 -0.281 -0.427 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 49 1.118 2.177 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.762 0.543 -8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.139 0.814 -8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.610 3.274 -8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.253 2.949 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.053 2.806 -10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.099 2.370 -12.184 1.00 0.00 H new ATOM 719 N ILE A 50 -1.087 3.268 -6.137 1.00 0.00 N ATOM 720 CA ILE A 50 -2.371 3.956 -6.088 1.00 0.00 C ATOM 721 C ILE A 50 -2.412 5.114 -7.079 1.00 0.00 C ATOM 722 O ILE A 50 -1.376 5.667 -7.447 1.00 0.00 O ATOM 723 CB ILE A 50 -2.668 4.493 -4.675 1.00 0.00 C ATOM 724 CG1 ILE A 50 -2.854 3.333 -3.694 1.00 0.00 C ATOM 725 CG2 ILE A 50 -3.903 5.380 -4.695 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.262 3.776 -2.306 1.00 0.00 C ATOM 0 H ILE A 50 -0.324 3.765 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.132 3.224 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.820 5.092 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.610 2.653 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.923 2.770 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.100 5.752 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.736 6.222 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.760 4.803 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.376 2.902 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.496 4.432 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.209 4.313 -2.359 1.00 0.00 H new ATOM 738 N ASP A 51 -3.617 5.477 -7.505 1.00 0.00 N ATOM 739 CA ASP A 51 -3.795 6.572 -8.452 1.00 0.00 C ATOM 740 C ASP A 51 -2.724 7.641 -8.254 1.00 0.00 C ATOM 741 O ASP A 51 -1.915 7.896 -9.146 1.00 0.00 O ATOM 742 CB ASP A 51 -5.185 7.190 -8.294 1.00 0.00 C ATOM 743 CG ASP A 51 -6.288 6.257 -8.752 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.572 6.225 -9.968 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.868 5.559 -7.895 1.00 0.00 O ATOM 0 H ASP A 51 -4.485 5.029 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.698 6.168 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.346 7.453 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.235 8.116 -8.867 1.00 0.00 H new ATOM 750 N ASP A 52 -2.727 8.263 -7.080 1.00 0.00 N ATOM 751 CA ASP A 52 -1.756 9.305 -6.765 1.00 0.00 C ATOM 752 C ASP A 52 -1.108 9.050 -5.407 1.00 0.00 C ATOM 753 O ASP A 52 -0.621 9.976 -4.759 1.00 0.00 O ATOM 754 CB ASP A 52 -2.428 10.678 -6.774 1.00 0.00 C ATOM 755 CG ASP A 52 -2.506 11.276 -8.165 1.00 0.00 C ATOM 756 OD1 ASP A 52 -1.440 11.561 -8.748 1.00 0.00 O ATOM 757 OD2 ASP A 52 -3.634 11.459 -8.670 1.00 0.00 O ATOM 0 H ASP A 52 -3.390 8.064 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.978 9.286 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.434 10.590 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.875 11.354 -6.122 1.00 0.00 H new ATOM 762 N GLU A 53 -1.107 7.790 -4.984 1.00 0.00 N ATOM 763 CA GLU A 53 -0.521 7.416 -3.703 1.00 0.00 C ATOM 764 C GLU A 53 0.453 6.252 -3.869 1.00 0.00 C ATOM 765 O GLU A 53 0.300 5.426 -4.768 1.00 0.00 O ATOM 766 CB GLU A 53 -1.618 7.038 -2.705 1.00 0.00 C ATOM 767 CG GLU A 53 -2.118 8.210 -1.877 1.00 0.00 C ATOM 768 CD GLU A 53 -1.202 8.535 -0.714 1.00 0.00 C ATOM 769 OE1 GLU A 53 -0.902 7.617 0.079 1.00 0.00 O ATOM 770 OE2 GLU A 53 -0.784 9.706 -0.596 1.00 0.00 O ATOM 0 H GLU A 53 -1.505 7.012 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 53 0.028 8.276 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.457 6.603 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.238 6.267 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.213 9.088 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.114 7.983 -1.498 1.00 0.00 H new ATOM 777 N GLU A 54 1.453 6.196 -2.995 1.00 0.00 N ATOM 778 CA GLU A 54 2.452 5.135 -3.046 1.00 0.00 C ATOM 779 C GLU A 54 2.982 4.818 -1.651 1.00 0.00 C ATOM 780 O GLU A 54 2.978 5.672 -0.765 1.00 0.00 O ATOM 781 CB GLU A 54 3.609 5.538 -3.963 1.00 0.00 C ATOM 782 CG GLU A 54 3.174 5.879 -5.378 1.00 0.00 C ATOM 783 CD GLU A 54 2.422 7.193 -5.457 1.00 0.00 C ATOM 784 OE1 GLU A 54 2.779 8.128 -4.710 1.00 0.00 O ATOM 785 OE2 GLU A 54 1.474 7.286 -6.265 1.00 0.00 O ATOM 0 H GLU A 54 1.593 6.872 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 54 1.974 4.241 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.120 6.399 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.332 4.723 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.052 5.928 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.541 5.079 -5.762 1.00 0.00 H new ATOM 792 N GLY A 55 3.436 3.583 -1.462 1.00 0.00 N ATOM 793 CA GLY A 55 3.961 3.174 -0.173 1.00 0.00 C ATOM 794 C GLY A 55 3.925 1.671 0.017 1.00 0.00 C ATOM 795 O GLY A 55 4.416 0.920 -0.825 1.00 0.00 O ATOM 0 H GLY A 55 3.449 2.858 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.988 3.525 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.384 3.651 0.619 1.00 0.00 H new ATOM 799 N TRP A 56 3.344 1.231 1.128 1.00 0.00 N ATOM 800 CA TRP A 56 3.247 -0.194 1.427 1.00 0.00 C ATOM 801 C TRP A 56 1.878 -0.537 2.003 1.00 0.00 C ATOM 802 O TRP A 56 1.428 0.080 2.969 1.00 0.00 O ATOM 803 CB TRP A 56 4.346 -0.605 2.408 1.00 0.00 C ATOM 804 CG TRP A 56 4.020 -0.280 3.835 1.00 0.00 C ATOM 805 CD1 TRP A 56 3.451 0.869 4.304 1.00 0.00 C ATOM 806 CD2 TRP A 56 4.246 -1.113 4.977 1.00 0.00 C ATOM 807 NE1 TRP A 56 3.310 0.801 5.669 1.00 0.00 N ATOM 808 CE2 TRP A 56 3.789 -0.406 6.106 1.00 0.00 C ATOM 809 CE3 TRP A 56 4.788 -2.389 5.155 1.00 0.00 C ATOM 810 CZ2 TRP A 56 3.860 -0.933 7.393 1.00 0.00 C ATOM 811 CZ3 TRP A 56 4.857 -2.910 6.433 1.00 0.00 C ATOM 812 CH2 TRP A 56 4.395 -2.184 7.538 1.00 0.00 C ATOM 0 H TRP A 56 2.933 1.840 1.836 1.00 0.00 H new ATOM 0 HA TRP A 56 3.376 -0.746 0.496 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.521 -1.677 2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.275 -0.106 2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.155 1.708 3.692 1.00 0.00 H new ATOM 0 HE1 TRP A 56 2.913 1.531 6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.146 -2.957 4.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.505 -0.374 8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.275 -3.895 6.582 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.462 -2.620 8.524 1.00 0.00 H new ATOM 823 N PHE A 57 1.220 -1.526 1.406 1.00 0.00 N ATOM 824 CA PHE A 57 -0.098 -1.951 1.861 1.00 0.00 C ATOM 825 C PHE A 57 -0.057 -3.383 2.386 1.00 0.00 C ATOM 826 O PHE A 57 0.672 -4.236 1.879 1.00 0.00 O ATOM 827 CB PHE A 57 -1.114 -1.842 0.721 1.00 0.00 C ATOM 828 CG PHE A 57 -0.916 -2.868 -0.357 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.001 -2.656 -1.375 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.646 -4.046 -0.353 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.182 -3.599 -2.369 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.467 -4.993 -1.344 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.552 -4.769 -2.353 1.00 0.00 C ATOM 0 H PHE A 57 1.578 -2.048 0.606 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.403 -1.293 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.119 -1.945 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.049 -0.847 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.576 -1.743 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.363 -4.226 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.898 -3.421 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.042 -5.907 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.410 -5.507 -3.128 1.00 0.00 H new ATOM 843 N PRO A 58 -0.858 -3.654 3.427 1.00 0.00 N ATOM 844 CA PRO A 58 -0.932 -4.982 4.043 1.00 0.00 C ATOM 845 C PRO A 58 -1.603 -6.007 3.135 1.00 0.00 C ATOM 846 O PRO A 58 -2.691 -5.769 2.613 1.00 0.00 O ATOM 847 CB PRO A 58 -1.778 -4.744 5.297 1.00 0.00 C ATOM 848 CG PRO A 58 -2.604 -3.546 4.975 1.00 0.00 C ATOM 849 CD PRO A 58 -1.754 -2.686 4.081 1.00 0.00 C ATOM 0 HA PRO A 58 0.057 -5.391 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.404 -5.608 5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.150 -4.569 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.530 -3.833 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.884 -3.010 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.358 -2.143 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.196 -1.943 4.651 1.00 0.00 H new ATOM 857 N ALA A 59 -0.945 -7.147 2.951 1.00 0.00 N ATOM 858 CA ALA A 59 -1.479 -8.209 2.107 1.00 0.00 C ATOM 859 C ALA A 59 -2.490 -9.059 2.869 1.00 0.00 C ATOM 860 O ALA A 59 -3.341 -9.716 2.268 1.00 0.00 O ATOM 861 CB ALA A 59 -0.350 -9.079 1.575 1.00 0.00 C ATOM 0 H ALA A 59 -0.042 -7.359 3.375 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.993 -7.746 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.764 -9.868 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.334 -8.468 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.189 -9.526 2.410 1.00 0.00 H new ATOM 867 N SER A 60 -2.390 -9.044 4.194 1.00 0.00 N ATOM 868 CA SER A 60 -3.294 -9.817 5.038 1.00 0.00 C ATOM 869 C SER A 60 -4.583 -9.046 5.304 1.00 0.00 C ATOM 870 O SER A 60 -5.523 -9.572 5.901 1.00 0.00 O ATOM 871 CB SER A 60 -2.613 -10.169 6.362 1.00 0.00 C ATOM 872 OG SER A 60 -3.547 -10.689 7.293 1.00 0.00 O ATOM 0 H SER A 60 -1.692 -8.505 4.707 1.00 0.00 H new ATOM 0 HA SER A 60 -3.545 -10.737 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.824 -10.901 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.137 -9.281 6.777 1.00 0.00 H new ATOM 0 HG SER A 60 -4.455 -10.577 6.943 1.00 0.00 H new ATOM 878 N PHE A 61 -4.619 -7.795 4.858 1.00 0.00 N ATOM 879 CA PHE A 61 -5.791 -6.949 5.048 1.00 0.00 C ATOM 880 C PHE A 61 -6.488 -6.678 3.718 1.00 0.00 C ATOM 881 O PHE A 61 -7.546 -6.050 3.675 1.00 0.00 O ATOM 882 CB PHE A 61 -5.391 -5.626 5.705 1.00 0.00 C ATOM 883 CG PHE A 61 -5.436 -5.666 7.206 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.353 -6.871 7.884 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.560 -4.497 7.939 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.394 -6.910 9.265 1.00 0.00 C ATOM 887 CE2 PHE A 61 -5.602 -4.529 9.321 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.518 -5.737 9.984 1.00 0.00 C ATOM 0 H PHE A 61 -3.850 -7.345 4.362 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.486 -7.476 5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.383 -5.361 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.055 -4.838 5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.255 -7.791 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.625 -3.549 7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.329 -7.856 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.700 -3.611 9.881 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.549 -5.765 11.063 1.00 0.00 H new ATOM 898 N VAL A 62 -5.887 -7.156 2.633 1.00 0.00 N ATOM 899 CA VAL A 62 -6.448 -6.966 1.301 1.00 0.00 C ATOM 900 C VAL A 62 -6.733 -8.305 0.629 1.00 0.00 C ATOM 901 O VAL A 62 -6.004 -9.278 0.826 1.00 0.00 O ATOM 902 CB VAL A 62 -5.502 -6.146 0.404 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.232 -4.782 1.021 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.203 -6.901 0.169 1.00 0.00 C ATOM 0 H VAL A 62 -5.011 -7.678 2.651 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.382 -6.419 1.427 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.985 -5.993 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.562 -4.216 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.171 -4.241 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.769 -4.910 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.547 -6.307 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.712 -7.087 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.418 -7.852 -0.319 1.00 0.00 H new ATOM 914 N ARG A 63 -7.798 -8.347 -0.165 1.00 0.00 N ATOM 915 CA ARG A 63 -8.180 -9.567 -0.866 1.00 0.00 C ATOM 916 C ARG A 63 -7.741 -9.516 -2.326 1.00 0.00 C ATOM 917 O ARG A 63 -8.174 -8.647 -3.085 1.00 0.00 O ATOM 918 CB ARG A 63 -9.693 -9.775 -0.784 1.00 0.00 C ATOM 919 CG ARG A 63 -10.146 -10.459 0.495 1.00 0.00 C ATOM 920 CD ARG A 63 -9.816 -11.944 0.480 1.00 0.00 C ATOM 921 NE ARG A 63 -9.584 -12.466 1.824 1.00 0.00 N ATOM 922 CZ ARG A 63 -9.001 -13.635 2.068 1.00 0.00 C ATOM 923 NH1 ARG A 63 -8.593 -14.398 1.063 1.00 0.00 N ATOM 924 NH2 ARG A 63 -8.825 -14.042 3.318 1.00 0.00 N ATOM 0 H ARG A 63 -8.411 -7.551 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.678 -10.406 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.189 -8.808 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.016 -10.370 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.665 -9.987 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.221 -10.325 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.635 -12.493 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.930 -12.112 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.886 -11.903 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.726 -14.088 0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.146 -15.295 1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.137 -13.458 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.377 -14.939 3.504 1.00 0.00 H new ATOM 938 N LEU A 64 -6.879 -10.450 -2.713 1.00 0.00 N ATOM 939 CA LEU A 64 -6.381 -10.511 -4.083 1.00 0.00 C ATOM 940 C LEU A 64 -7.534 -10.552 -5.081 1.00 0.00 C ATOM 941 O LEU A 64 -8.616 -11.051 -4.773 1.00 0.00 O ATOM 942 CB LEU A 64 -5.488 -11.739 -4.267 1.00 0.00 C ATOM 943 CG LEU A 64 -4.079 -11.638 -3.682 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.282 -10.556 -4.393 1.00 0.00 C ATOM 945 CD2 LEU A 64 -4.141 -11.363 -2.187 1.00 0.00 C ATOM 0 H LEU A 64 -6.510 -11.175 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.795 -9.611 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.987 -12.597 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.403 -11.945 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.574 -12.592 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.282 -10.499 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.208 -10.796 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.784 -9.596 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.129 -11.294 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.665 -10.424 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.673 -12.174 -1.690 1.00 0.00 H new ATOM 957 N TRP A 65 -7.293 -10.026 -6.276 1.00 0.00 N ATOM 958 CA TRP A 65 -8.311 -10.005 -7.321 1.00 0.00 C ATOM 959 C TRP A 65 -8.468 -11.382 -7.957 1.00 0.00 C ATOM 960 O TRP A 65 -9.563 -11.944 -7.982 1.00 0.00 O ATOM 961 CB TRP A 65 -7.952 -8.973 -8.391 1.00 0.00 C ATOM 962 CG TRP A 65 -8.504 -7.609 -8.110 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.861 -7.104 -6.892 1.00 0.00 C ATOM 964 CD2 TRP A 65 -8.765 -6.576 -9.066 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.327 -5.819 -7.034 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.278 -5.472 -8.358 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.613 -6.475 -10.452 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.640 -4.285 -8.990 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.974 -5.297 -11.078 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.481 -4.215 -10.347 1.00 0.00 C ATOM 0 H TRP A 65 -6.402 -9.608 -6.546 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.260 -9.727 -6.863 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.867 -8.908 -8.473 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.325 -9.316 -9.356 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.788 -7.636 -5.955 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.656 -5.221 -6.276 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.220 -7.303 -11.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.032 -3.450 -8.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -8.863 -5.209 -12.149 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -9.752 -3.307 -10.865 1.00 0.00 H new