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 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.307 F(o=-0.95,f=-0.31) 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) 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= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 1.983 -7.729 -12.953 1.00 0.00 N ATOM 90 CA ILE A 10 1.409 -6.822 -11.968 1.00 0.00 C ATOM 91 C ILE A 10 0.057 -7.328 -11.475 1.00 0.00 C ATOM 92 O ILE A 10 -0.880 -7.490 -12.257 1.00 0.00 O ATOM 93 CB ILE A 10 1.234 -5.404 -12.543 1.00 0.00 C ATOM 94 CG1 ILE A 10 2.599 -4.760 -12.795 1.00 0.00 C ATOM 95 CG2 ILE A 10 0.404 -4.547 -11.598 1.00 0.00 C ATOM 96 CD1 ILE A 10 3.184 -5.093 -14.149 1.00 0.00 C ATOM 0 HA ILE A 10 2.107 -6.783 -11.132 1.00 0.00 H new ATOM 0 HB ILE A 10 0.706 -5.477 -13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.503 -3.678 -12.706 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.293 -5.083 -12.019 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.289 -3.548 -12.019 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.579 -4.999 -11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.906 -4.479 -10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.151 -4.603 -14.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.313 -6.172 -14.234 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.510 -4.745 -14.932 1.00 0.00 H new ATOM 108 N VAL A 11 -0.037 -7.576 -10.173 1.00 0.00 N ATOM 109 CA VAL A 11 -1.275 -8.062 -9.574 1.00 0.00 C ATOM 110 C VAL A 11 -2.014 -6.939 -8.855 1.00 0.00 C ATOM 111 O VAL A 11 -1.397 -6.018 -8.320 1.00 0.00 O ATOM 112 CB VAL A 11 -1.005 -9.205 -8.578 1.00 0.00 C ATOM 113 CG1 VAL A 11 -0.195 -8.702 -7.394 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.314 -9.826 -8.114 1.00 0.00 C ATOM 0 H VAL A 11 0.729 -7.448 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.895 -8.439 -10.388 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.423 -9.975 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.014 -9.524 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.758 -8.308 -7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.747 -7.913 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.105 -10.632 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.924 -9.066 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.852 -10.225 -8.974 1.00 0.00 H new ATOM 124 N SER A 12 -3.341 -7.023 -8.845 1.00 0.00 N ATOM 125 CA SER A 12 -4.166 -6.013 -8.194 1.00 0.00 C ATOM 126 C SER A 12 -4.929 -6.611 -7.016 1.00 0.00 C ATOM 127 O SER A 12 -5.408 -7.742 -7.083 1.00 0.00 O ATOM 128 CB SER A 12 -5.149 -5.404 -9.196 1.00 0.00 C ATOM 129 OG SER A 12 -4.477 -4.578 -10.131 1.00 0.00 O ATOM 0 H SER A 12 -3.867 -7.780 -9.281 1.00 0.00 H new ATOM 0 HA SER A 12 -3.508 -5.229 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.677 -6.200 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.900 -4.820 -8.664 1.00 0.00 H new ATOM 0 HG SER A 12 -5.126 -4.202 -10.761 1.00 0.00 H new ATOM 135 N ALA A 13 -5.036 -5.842 -5.937 1.00 0.00 N ATOM 136 CA ALA A 13 -5.742 -6.294 -4.744 1.00 0.00 C ATOM 137 C ALA A 13 -6.864 -5.331 -4.373 1.00 0.00 C ATOM 138 O ALA A 13 -6.844 -4.163 -4.759 1.00 0.00 O ATOM 139 CB ALA A 13 -4.770 -6.449 -3.584 1.00 0.00 C ATOM 0 H ALA A 13 -4.643 -4.904 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.189 -7.264 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.310 -6.787 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.006 -7.182 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.296 -5.490 -3.375 1.00 0.00 H new ATOM 145 N GLU A 14 -7.841 -5.830 -3.622 1.00 0.00 N ATOM 146 CA GLU A 14 -8.972 -5.012 -3.200 1.00 0.00 C ATOM 147 C GLU A 14 -9.004 -4.869 -1.681 1.00 0.00 C ATOM 148 O GLU A 14 -8.995 -5.862 -0.953 1.00 0.00 O ATOM 149 CB GLU A 14 -10.285 -5.625 -3.692 1.00 0.00 C ATOM 150 CG GLU A 14 -11.510 -4.793 -3.355 1.00 0.00 C ATOM 151 CD GLU A 14 -12.806 -5.474 -3.751 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.217 -6.420 -3.047 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.408 -5.061 -4.763 1.00 0.00 O ATOM 0 H GLU A 14 -7.872 -6.795 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.854 -4.021 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.232 -5.757 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.399 -6.617 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.523 -4.590 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.441 -3.830 -3.861 1.00 0.00 H new ATOM 160 N ALA A 15 -9.040 -3.627 -1.210 1.00 0.00 N ATOM 161 CA ALA A 15 -9.074 -3.353 0.221 1.00 0.00 C ATOM 162 C ALA A 15 -10.390 -3.816 0.837 1.00 0.00 C ATOM 163 O ALA A 15 -11.467 -3.382 0.426 1.00 0.00 O ATOM 164 CB ALA A 15 -8.861 -1.869 0.480 1.00 0.00 C ATOM 0 H ALA A 15 -9.046 -2.794 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.266 -3.912 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.889 -1.679 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.892 -1.566 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.649 -1.297 -0.010 1.00 0.00 H new ATOM 170 N VAL A 16 -10.298 -4.699 1.826 1.00 0.00 N ATOM 171 CA VAL A 16 -11.481 -5.221 2.499 1.00 0.00 C ATOM 172 C VAL A 16 -11.555 -4.728 3.940 1.00 0.00 C ATOM 173 O VAL A 16 -12.642 -4.551 4.491 1.00 0.00 O ATOM 174 CB VAL A 16 -11.498 -6.761 2.493 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.644 -7.287 1.073 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.239 -7.310 3.148 1.00 0.00 C ATOM 0 H VAL A 16 -9.415 -5.068 2.179 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.347 -4.854 1.947 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.358 -7.101 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.654 -8.377 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.577 -6.921 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.806 -6.940 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.268 -8.400 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.363 -6.964 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.183 -6.961 4.179 1.00 0.00 H new ATOM 186 N TRP A 17 -10.393 -4.509 4.545 1.00 0.00 N ATOM 187 CA TRP A 17 -10.326 -4.036 5.923 1.00 0.00 C ATOM 188 C TRP A 17 -9.738 -2.631 5.988 1.00 0.00 C ATOM 189 O TRP A 17 -8.533 -2.444 5.823 1.00 0.00 O ATOM 190 CB TRP A 17 -9.488 -4.993 6.772 1.00 0.00 C ATOM 191 CG TRP A 17 -10.152 -6.316 7.006 1.00 0.00 C ATOM 192 CD1 TRP A 17 -9.919 -7.480 6.330 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.157 -6.610 7.982 1.00 0.00 C ATOM 194 NE1 TRP A 17 -10.720 -8.480 6.827 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.488 -7.972 7.842 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.809 -5.856 8.961 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.442 -8.592 8.644 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -12.756 -6.473 9.756 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.065 -7.830 9.595 1.00 0.00 C ATOM 0 H TRP A 17 -9.485 -4.651 4.103 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.341 -4.003 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.529 -5.158 6.281 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.278 -4.525 7.734 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.210 -7.597 5.524 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -10.740 -9.444 6.494 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.577 -4.810 9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -12.682 -9.638 8.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -13.267 -5.899 10.515 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.809 -8.283 10.233 1.00 0.00 H new ATOM 210 N ASP A 18 -10.596 -1.646 6.230 1.00 0.00 N ATOM 211 CA ASP A 18 -10.161 -0.257 6.318 1.00 0.00 C ATOM 212 C ASP A 18 -8.796 -0.157 6.993 1.00 0.00 C ATOM 213 O ASP A 18 -8.646 -0.497 8.167 1.00 0.00 O ATOM 214 CB ASP A 18 -11.187 0.573 7.091 1.00 0.00 C ATOM 215 CG ASP A 18 -11.469 0.009 8.470 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.101 -1.064 8.553 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.058 0.642 9.465 1.00 0.00 O ATOM 0 H ASP A 18 -11.597 -1.784 6.369 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.076 0.136 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.824 1.596 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.116 0.617 6.523 1.00 0.00 H new ATOM 222 N HIS A 19 -7.803 0.309 6.242 1.00 0.00 N ATOM 223 CA HIS A 19 -6.450 0.453 6.767 1.00 0.00 C ATOM 224 C HIS A 19 -6.141 1.914 7.079 1.00 0.00 C ATOM 225 O HIS A 19 -5.680 2.660 6.215 1.00 0.00 O ATOM 226 CB HIS A 19 -5.431 -0.094 5.767 1.00 0.00 C ATOM 227 CG HIS A 19 -4.021 -0.063 6.271 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.425 -0.748 7.275 1.00 0.00 N flip ATOM 229 CD2 HIS A 19 -3.046 0.747 5.729 1.00 0.00 C flip ATOM 230 CE1 HIS A 19 -2.113 -0.345 7.320 1.00 0.00 C flip ATOM 231 NE2 HIS A 19 -1.910 0.557 6.377 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.910 0.593 5.268 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.383 -0.120 7.692 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.696 -1.121 5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.492 0.485 4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.188 1.430 4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.368 -0.707 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.026 1.027 6.182 1.00 0.00 H new ATOM 240 N VAL A 20 -6.398 2.317 8.320 1.00 0.00 N ATOM 241 CA VAL A 20 -6.147 3.689 8.746 1.00 0.00 C ATOM 242 C VAL A 20 -4.741 3.838 9.316 1.00 0.00 C ATOM 243 O VAL A 20 -4.238 2.946 10.001 1.00 0.00 O ATOM 244 CB VAL A 20 -7.170 4.144 9.803 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.575 4.149 9.220 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.097 3.252 11.033 1.00 0.00 C ATOM 0 H VAL A 20 -6.780 1.713 9.048 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.246 4.319 7.862 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.925 5.162 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.284 4.473 9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.615 4.833 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.834 3.144 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.827 3.588 11.770 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.315 2.222 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.097 3.306 11.463 1.00 0.00 H new ATOM 256 N THR A 21 -4.110 4.973 9.031 1.00 0.00 N ATOM 257 CA THR A 21 -2.762 5.240 9.515 1.00 0.00 C ATOM 258 C THR A 21 -2.487 6.738 9.578 1.00 0.00 C ATOM 259 O THR A 21 -3.009 7.509 8.772 1.00 0.00 O ATOM 260 CB THR A 21 -1.701 4.572 8.620 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.388 4.913 9.079 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.866 5.005 7.171 1.00 0.00 C ATOM 0 H THR A 21 -4.512 5.722 8.467 1.00 0.00 H new ATOM 0 HA THR A 21 -2.697 4.819 10.518 1.00 0.00 H new ATOM 0 HB THR A 21 -1.836 3.492 8.678 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.281 4.483 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.106 4.521 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.856 4.718 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.755 6.087 7.100 1.00 0.00 H new ATOM 270 N MET A 22 -1.664 7.144 10.539 1.00 0.00 N ATOM 271 CA MET A 22 -1.318 8.552 10.704 1.00 0.00 C ATOM 272 C MET A 22 0.156 8.789 10.395 1.00 0.00 C ATOM 273 O MET A 22 0.840 9.521 11.110 1.00 0.00 O ATOM 274 CB MET A 22 -1.633 9.012 12.129 1.00 0.00 C ATOM 275 CG MET A 22 -3.042 9.557 12.294 1.00 0.00 C ATOM 276 SD MET A 22 -4.307 8.387 11.761 1.00 0.00 S ATOM 277 CE MET A 22 -4.434 7.342 13.210 1.00 0.00 C ATOM 0 H MET A 22 -1.224 6.519 11.215 1.00 0.00 H new ATOM 0 HA MET A 22 -1.916 9.133 10.002 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.494 8.174 12.812 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.918 9.782 12.420 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.208 9.814 13.340 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.140 10.479 11.720 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.180 6.566 13.035 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.468 6.878 13.410 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.732 7.945 14.068 1.00 0.00 H new ATOM 287 N ALA A 23 0.640 8.166 9.326 1.00 0.00 N ATOM 288 CA ALA A 23 2.033 8.312 8.921 1.00 0.00 C ATOM 289 C ALA A 23 2.151 9.143 7.648 1.00 0.00 C ATOM 290 O ALA A 23 1.163 9.376 6.954 1.00 0.00 O ATOM 291 CB ALA A 23 2.670 6.944 8.722 1.00 0.00 C ATOM 0 H ALA A 23 0.088 7.555 8.724 1.00 0.00 H new ATOM 0 HA ALA A 23 2.564 8.836 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.710 7.067 8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.628 6.384 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.129 6.400 7.948 1.00 0.00 H new ATOM 297 N ASN A 24 3.367 9.589 7.349 1.00 0.00 N ATOM 298 CA ASN A 24 3.614 10.396 6.160 1.00 0.00 C ATOM 299 C ASN A 24 3.806 9.511 4.932 1.00 0.00 C ATOM 300 O ASN A 24 3.210 9.750 3.882 1.00 0.00 O ATOM 301 CB ASN A 24 4.846 11.279 6.364 1.00 0.00 C ATOM 302 CG ASN A 24 4.906 12.426 5.374 1.00 0.00 C ATOM 303 OD1 ASN A 24 5.576 12.339 4.345 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.204 13.510 5.682 1.00 0.00 N ATOM 0 H ASN A 24 4.196 9.405 7.914 1.00 0.00 H new ATOM 0 HA ASN A 24 2.744 11.031 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.840 11.678 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.745 10.671 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.206 14.314 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.663 13.539 6.546 1.00 0.00 H new ATOM 311 N ARG A 25 4.642 8.487 5.072 1.00 0.00 N ATOM 312 CA ARG A 25 4.914 7.566 3.975 1.00 0.00 C ATOM 313 C ARG A 25 4.272 6.207 4.235 1.00 0.00 C ATOM 314 O ARG A 25 4.800 5.395 4.994 1.00 0.00 O ATOM 315 CB ARG A 25 6.422 7.401 3.781 1.00 0.00 C ATOM 316 CG ARG A 25 7.074 8.567 3.056 1.00 0.00 C ATOM 317 CD ARG A 25 8.575 8.605 3.299 1.00 0.00 C ATOM 318 NE ARG A 25 9.129 9.941 3.091 1.00 0.00 N ATOM 319 CZ ARG A 25 10.343 10.303 3.489 1.00 0.00 C ATOM 320 NH1 ARG A 25 11.126 9.435 4.115 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.776 11.537 3.263 1.00 0.00 N ATOM 0 H ARG A 25 5.143 8.274 5.935 1.00 0.00 H new ATOM 0 HA ARG A 25 4.482 7.985 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.894 7.281 4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.610 6.485 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.879 8.487 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.626 9.502 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.786 8.280 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.069 7.900 2.630 1.00 0.00 H new ATOM 0 HE ARG A 25 8.552 10.633 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.796 8.486 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.058 9.716 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.176 12.208 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.709 11.814 3.569 1.00 0.00 H new ATOM 335 N GLU A 26 3.129 5.967 3.599 1.00 0.00 N ATOM 336 CA GLU A 26 2.415 4.706 3.763 1.00 0.00 C ATOM 337 C GLU A 26 1.249 4.610 2.782 1.00 0.00 C ATOM 338 O GLU A 26 0.761 5.622 2.279 1.00 0.00 O ATOM 339 CB GLU A 26 1.901 4.568 5.198 1.00 0.00 C ATOM 340 CG GLU A 26 1.196 5.811 5.714 1.00 0.00 C ATOM 341 CD GLU A 26 -0.012 6.186 4.877 1.00 0.00 C ATOM 342 OE1 GLU A 26 -0.695 5.269 4.376 1.00 0.00 O ATOM 343 OE2 GLU A 26 -0.274 7.397 4.725 1.00 0.00 O ATOM 0 H GLU A 26 2.678 6.628 2.966 1.00 0.00 H new ATOM 0 HA GLU A 26 3.111 3.894 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.214 3.723 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.740 4.337 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.882 5.645 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.898 6.644 5.725 1.00 0.00 H new ATOM 350 N LEU A 27 0.809 3.385 2.515 1.00 0.00 N ATOM 351 CA LEU A 27 -0.299 3.155 1.595 1.00 0.00 C ATOM 352 C LEU A 27 -1.622 3.058 2.348 1.00 0.00 C ATOM 353 O LEU A 27 -1.998 1.988 2.827 1.00 0.00 O ATOM 354 CB LEU A 27 -0.062 1.875 0.791 1.00 0.00 C ATOM 355 CG LEU A 27 -0.764 1.795 -0.565 1.00 0.00 C ATOM 356 CD1 LEU A 27 -2.273 1.860 -0.390 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.283 2.910 -1.482 1.00 0.00 C ATOM 0 H LEU A 27 1.202 2.537 2.922 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.353 4.002 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.010 1.764 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.383 1.026 1.395 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.513 0.840 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.755 1.802 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.604 1.026 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.543 2.799 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.793 2.837 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.503 3.876 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.792 2.817 -1.635 1.00 0.00 H new ATOM 369 N ALA A 28 -2.325 4.181 2.446 1.00 0.00 N ATOM 370 CA ALA A 28 -3.608 4.222 3.137 1.00 0.00 C ATOM 371 C ALA A 28 -4.764 4.040 2.160 1.00 0.00 C ATOM 372 O ALA A 28 -4.615 4.263 0.958 1.00 0.00 O ATOM 373 CB ALA A 28 -3.757 5.533 3.896 1.00 0.00 C ATOM 0 H ALA A 28 -2.028 5.075 2.055 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.636 3.397 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.720 5.550 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.955 5.622 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.703 6.367 3.196 1.00 0.00 H new ATOM 379 N PHE A 29 -5.915 3.632 2.682 1.00 0.00 N ATOM 380 CA PHE A 29 -7.097 3.418 1.855 1.00 0.00 C ATOM 381 C PHE A 29 -8.309 3.075 2.716 1.00 0.00 C ATOM 382 O PHE A 29 -8.197 2.916 3.931 1.00 0.00 O ATOM 383 CB PHE A 29 -6.842 2.297 0.845 1.00 0.00 C ATOM 384 CG PHE A 29 -6.213 1.075 1.451 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.835 0.953 1.525 1.00 0.00 C ATOM 386 CD2 PHE A 29 -7.000 0.048 1.947 1.00 0.00 C ATOM 387 CE1 PHE A 29 -4.253 -0.170 2.083 1.00 0.00 C ATOM 388 CE2 PHE A 29 -6.424 -1.077 2.506 1.00 0.00 C ATOM 389 CZ PHE A 29 -5.049 -1.186 2.573 1.00 0.00 C ATOM 0 H PHE A 29 -6.055 3.443 3.674 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.306 4.343 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.787 2.016 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.195 2.673 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.208 1.745 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.076 0.128 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.177 -0.252 2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.049 -1.870 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.597 -2.065 3.008 1.00 0.00 H new ATOM 399 N LYS A 30 -9.469 2.964 2.077 1.00 0.00 N ATOM 400 CA LYS A 30 -10.703 2.641 2.781 1.00 0.00 C ATOM 401 C LYS A 30 -11.363 1.403 2.182 1.00 0.00 C ATOM 402 O LYS A 30 -11.384 1.227 0.965 1.00 0.00 O ATOM 403 CB LYS A 30 -11.672 3.825 2.727 1.00 0.00 C ATOM 404 CG LYS A 30 -11.297 4.960 3.663 1.00 0.00 C ATOM 405 CD LYS A 30 -12.398 6.005 3.742 1.00 0.00 C ATOM 406 CE LYS A 30 -11.969 7.205 4.571 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.061 6.932 6.032 1.00 0.00 N ATOM 0 H LYS A 30 -9.579 3.093 1.071 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.453 2.431 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.712 4.205 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.674 3.476 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.100 4.562 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.375 5.427 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.663 6.332 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.292 5.561 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.944 7.475 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.596 8.061 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.760 7.775 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.044 6.699 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.444 6.131 6.275 1.00 0.00 H new ATOM 421 N ALA A 31 -11.903 0.549 3.046 1.00 0.00 N ATOM 422 CA ALA A 31 -12.567 -0.670 2.602 1.00 0.00 C ATOM 423 C ALA A 31 -13.283 -0.452 1.273 1.00 0.00 C ATOM 424 O ALA A 31 -14.349 0.159 1.224 1.00 0.00 O ATOM 425 CB ALA A 31 -13.549 -1.152 3.659 1.00 0.00 C ATOM 0 H ALA A 31 -11.893 0.679 4.058 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.805 -1.435 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.037 -2.063 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.014 -1.356 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.300 -0.382 3.836 1.00 0.00 H new ATOM 431 N GLY A 32 -12.688 -0.956 0.196 1.00 0.00 N ATOM 432 CA GLY A 32 -13.283 -0.805 -1.119 1.00 0.00 C ATOM 433 C GLY A 32 -12.286 -0.326 -2.155 1.00 0.00 C ATOM 434 O GLY A 32 -12.294 -0.790 -3.296 1.00 0.00 O ATOM 0 H GLY A 32 -11.805 -1.466 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.702 -1.760 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.110 -0.098 -1.061 1.00 0.00 H new ATOM 438 N ASP A 33 -11.425 0.605 -1.760 1.00 0.00 N ATOM 439 CA ASP A 33 -10.417 1.148 -2.663 1.00 0.00 C ATOM 440 C ASP A 33 -9.644 0.028 -3.351 1.00 0.00 C ATOM 441 O ASP A 33 -9.819 -1.148 -3.032 1.00 0.00 O ATOM 442 CB ASP A 33 -9.452 2.056 -1.898 1.00 0.00 C ATOM 443 CG ASP A 33 -10.048 3.419 -1.607 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.784 3.941 -2.469 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.776 3.965 -0.517 1.00 0.00 O ATOM 0 H ASP A 33 -11.405 1.000 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.927 1.735 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.173 1.577 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.537 2.179 -2.477 1.00 0.00 H new ATOM 450 N VAL A 34 -8.788 0.401 -4.297 1.00 0.00 N ATOM 451 CA VAL A 34 -7.988 -0.572 -5.031 1.00 0.00 C ATOM 452 C VAL A 34 -6.520 -0.160 -5.069 1.00 0.00 C ATOM 453 O VAL A 34 -6.177 0.900 -5.594 1.00 0.00 O ATOM 454 CB VAL A 34 -8.499 -0.746 -6.473 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.624 -1.730 -7.235 1.00 0.00 C ATOM 456 CG2 VAL A 34 -9.950 -1.201 -6.472 1.00 0.00 C ATOM 0 H VAL A 34 -8.631 1.370 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.082 -1.521 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.444 0.218 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.001 -1.840 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.600 -1.358 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.644 -2.698 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.295 -1.319 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.032 -2.154 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.564 -0.456 -5.966 1.00 0.00 H new ATOM 466 N ILE A 35 -5.660 -1.004 -4.511 1.00 0.00 N ATOM 467 CA ILE A 35 -4.229 -0.728 -4.483 1.00 0.00 C ATOM 468 C ILE A 35 -3.486 -1.571 -5.513 1.00 0.00 C ATOM 469 O ILE A 35 -3.601 -2.797 -5.529 1.00 0.00 O ATOM 470 CB ILE A 35 -3.631 -0.996 -3.089 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.325 -0.129 -2.037 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.132 -0.731 -3.096 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.576 -0.759 -1.465 1.00 0.00 C ATOM 0 H ILE A 35 -5.929 -1.885 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.107 0.328 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.794 -2.043 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.626 0.073 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.583 0.832 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.724 -0.925 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.650 -1.387 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.948 0.308 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.015 -0.089 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.293 -0.936 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.322 -1.707 -0.990 1.00 0.00 H new ATOM 485 N LYS A 36 -2.721 -0.907 -6.373 1.00 0.00 N ATOM 486 CA LYS A 36 -1.955 -1.594 -7.406 1.00 0.00 C ATOM 487 C LYS A 36 -0.625 -2.096 -6.854 1.00 0.00 C ATOM 488 O LYS A 36 0.170 -1.321 -6.323 1.00 0.00 O ATOM 489 CB LYS A 36 -1.707 -0.660 -8.593 1.00 0.00 C ATOM 490 CG LYS A 36 -0.815 -1.261 -9.664 1.00 0.00 C ATOM 491 CD LYS A 36 -0.323 -0.204 -10.638 1.00 0.00 C ATOM 492 CE LYS A 36 -1.411 0.194 -11.625 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.911 1.163 -12.639 1.00 0.00 N ATOM 0 H LYS A 36 -2.615 0.107 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.536 -2.453 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.665 -0.391 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.254 0.262 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.039 -1.750 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.365 -2.030 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.008 0.675 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.542 -0.583 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.788 -0.696 -12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.249 0.634 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.681 1.410 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.574 2.023 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.128 0.734 -13.172 1.00 0.00 H new ATOM 507 N VAL A 37 -0.388 -3.397 -6.985 1.00 0.00 N ATOM 508 CA VAL A 37 0.848 -4.002 -6.501 1.00 0.00 C ATOM 509 C VAL A 37 1.971 -3.845 -7.519 1.00 0.00 C ATOM 510 O VAL A 37 1.766 -4.026 -8.720 1.00 0.00 O ATOM 511 CB VAL A 37 0.656 -5.498 -6.191 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.909 -6.076 -5.551 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.555 -5.706 -5.294 1.00 0.00 C ATOM 0 H VAL A 37 -1.035 -4.053 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 37 1.118 -3.480 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 37 0.479 -6.025 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.754 -7.134 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.752 -5.962 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.120 -5.547 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.675 -6.769 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.411 -5.167 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.448 -5.331 -5.795 1.00 0.00 H new ATOM 523 N LEU A 38 3.160 -3.507 -7.032 1.00 0.00 N ATOM 524 CA LEU A 38 4.319 -3.326 -7.900 1.00 0.00 C ATOM 525 C LEU A 38 5.243 -4.537 -7.834 1.00 0.00 C ATOM 526 O LEU A 38 5.633 -5.090 -8.863 1.00 0.00 O ATOM 527 CB LEU A 38 5.085 -2.063 -7.503 1.00 0.00 C ATOM 528 CG LEU A 38 4.290 -0.757 -7.534 1.00 0.00 C ATOM 529 CD1 LEU A 38 5.171 0.414 -7.127 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.699 -0.526 -8.918 1.00 0.00 C ATOM 0 H LEU A 38 3.347 -3.353 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 38 3.962 -3.220 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.477 -2.202 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.943 -1.959 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 38 3.471 -0.835 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.588 1.335 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.547 0.253 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.011 0.495 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.136 0.408 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.503 -0.469 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.034 -1.351 -9.172 1.00 0.00 H new ATOM 542 N ASP A 39 5.589 -4.946 -6.618 1.00 0.00 N ATOM 543 CA ASP A 39 6.465 -6.094 -6.418 1.00 0.00 C ATOM 544 C ASP A 39 5.878 -7.052 -5.385 1.00 0.00 C ATOM 545 O ASP A 39 6.027 -6.849 -4.181 1.00 0.00 O ATOM 546 CB ASP A 39 7.853 -5.633 -5.973 1.00 0.00 C ATOM 547 CG ASP A 39 8.726 -5.215 -7.139 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.253 -4.422 -7.981 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.883 -5.680 -7.211 1.00 0.00 O ATOM 0 H ASP A 39 5.276 -4.499 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 39 6.554 -6.621 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.750 -4.797 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.343 -6.439 -5.427 1.00 0.00 H new ATOM 554 N ALA A 40 5.209 -8.095 -5.866 1.00 0.00 N ATOM 555 CA ALA A 40 4.601 -9.084 -4.985 1.00 0.00 C ATOM 556 C ALA A 40 5.393 -10.387 -4.992 1.00 0.00 C ATOM 557 O ALA A 40 4.841 -11.459 -5.242 1.00 0.00 O ATOM 558 CB ALA A 40 3.158 -9.339 -5.394 1.00 0.00 C ATOM 0 H ALA A 40 5.075 -8.277 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 40 4.615 -8.687 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.716 -10.080 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.592 -8.410 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.130 -9.711 -6.418 1.00 0.00 H new ATOM 611 N ASP A 44 5.647 -11.208 2.721 1.00 0.00 N ATOM 612 CA ASP A 44 4.633 -10.940 3.734 1.00 0.00 C ATOM 613 C ASP A 44 3.845 -9.679 3.394 1.00 0.00 C ATOM 614 O ASP A 44 2.617 -9.662 3.472 1.00 0.00 O ATOM 615 CB ASP A 44 5.283 -10.794 5.111 1.00 0.00 C ATOM 616 CG ASP A 44 5.641 -12.133 5.727 1.00 0.00 C ATOM 617 OD1 ASP A 44 4.731 -12.972 5.893 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.831 -12.341 6.041 1.00 0.00 O ATOM 0 HA ASP A 44 3.943 -11.784 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.183 -10.186 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.603 -10.262 5.776 1.00 0.00 H new ATOM 623 N TRP A 45 4.560 -8.625 3.018 1.00 0.00 N ATOM 624 CA TRP A 45 3.927 -7.358 2.667 1.00 0.00 C ATOM 625 C TRP A 45 4.425 -6.857 1.315 1.00 0.00 C ATOM 626 O TRP A 45 5.629 -6.810 1.066 1.00 0.00 O ATOM 627 CB TRP A 45 4.204 -6.310 3.746 1.00 0.00 C ATOM 628 CG TRP A 45 3.308 -6.437 4.941 1.00 0.00 C ATOM 629 CD1 TRP A 45 3.079 -7.564 5.677 1.00 0.00 C ATOM 630 CD2 TRP A 45 2.521 -5.400 5.536 1.00 0.00 C ATOM 631 NE1 TRP A 45 2.197 -7.290 6.694 1.00 0.00 N ATOM 632 CE2 TRP A 45 1.840 -5.969 6.630 1.00 0.00 C ATOM 633 CE3 TRP A 45 2.326 -4.045 5.252 1.00 0.00 C ATOM 634 CZ2 TRP A 45 0.979 -5.230 7.437 1.00 0.00 C ATOM 635 CZ3 TRP A 45 1.471 -3.313 6.054 1.00 0.00 C ATOM 636 CH2 TRP A 45 0.807 -3.906 7.136 1.00 0.00 C ATOM 0 H TRP A 45 5.578 -8.622 2.948 1.00 0.00 H new ATOM 0 HA TRP A 45 2.852 -7.524 2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 45 5.242 -6.396 4.068 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.085 -5.316 3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.526 -8.529 5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.862 -7.961 7.385 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.834 -3.579 4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.465 -5.685 8.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.312 -2.266 5.843 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.146 -3.306 7.745 1.00 0.00 H new ATOM 647 N TRP A 46 3.491 -6.485 0.447 1.00 0.00 N ATOM 648 CA TRP A 46 3.836 -5.988 -0.880 1.00 0.00 C ATOM 649 C TRP A 46 3.633 -4.479 -0.965 1.00 0.00 C ATOM 650 O TRP A 46 2.915 -3.893 -0.155 1.00 0.00 O ATOM 651 CB TRP A 46 2.992 -6.689 -1.945 1.00 0.00 C ATOM 652 CG TRP A 46 2.869 -8.167 -1.728 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.844 -9.014 -1.283 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.706 -8.972 -1.949 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.357 -10.296 -1.213 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.047 -10.298 -1.616 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.409 -8.702 -2.393 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.138 -11.347 -1.715 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.492 -9.745 -2.492 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.125 -11.055 -2.153 1.00 0.00 C ATOM 0 H TRP A 46 2.490 -6.518 0.638 1.00 0.00 H new ATOM 0 HA TRP A 46 4.889 -6.205 -1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.996 -6.247 -1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.434 -6.508 -2.925 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.850 -8.719 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.885 -11.115 -0.910 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.116 -7.696 -2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.420 -12.357 -1.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.496 -9.548 -2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.853 -11.848 -2.239 1.00 0.00 H new ATOM 671 N TRP A 47 4.270 -3.856 -1.950 1.00 0.00 N ATOM 672 CA TRP A 47 4.158 -2.414 -2.140 1.00 0.00 C ATOM 673 C TRP A 47 2.901 -2.065 -2.929 1.00 0.00 C ATOM 674 O TRP A 47 2.527 -2.770 -3.865 1.00 0.00 O ATOM 675 CB TRP A 47 5.395 -1.878 -2.864 1.00 0.00 C ATOM 676 CG TRP A 47 5.333 -0.404 -3.132 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.745 0.210 -4.201 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.882 0.638 -2.319 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.895 1.573 -4.100 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.588 1.861 -2.954 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.590 0.658 -1.114 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.980 3.087 -2.425 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.979 1.877 -0.591 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.673 3.078 -1.245 1.00 0.00 C ATOM 0 H TRP A 47 4.869 -4.326 -2.629 1.00 0.00 H new ATOM 0 HA TRP A 47 4.089 -1.947 -1.158 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.280 -2.095 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.512 -2.408 -3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.237 -0.300 -5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.547 2.259 -4.770 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.829 -0.262 -0.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.745 4.013 -2.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.529 1.904 0.338 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.990 4.014 -0.810 1.00 0.00 H new ATOM 695 N GLY A 48 2.251 -0.970 -2.544 1.00 0.00 N ATOM 696 CA GLY A 48 1.042 -0.547 -3.226 1.00 0.00 C ATOM 697 C GLY A 48 1.201 0.800 -3.904 1.00 0.00 C ATOM 698 O GLY A 48 2.009 1.624 -3.478 1.00 0.00 O ATOM 0 H GLY A 48 2.540 -0.369 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.767 -1.295 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.223 -0.495 -2.509 1.00 0.00 H new ATOM 702 N GLN A 49 0.429 1.022 -4.963 1.00 0.00 N ATOM 703 CA GLN A 49 0.490 2.277 -5.703 1.00 0.00 C ATOM 704 C GLN A 49 -0.907 2.743 -6.099 1.00 0.00 C ATOM 705 O GLN A 49 -1.623 2.048 -6.819 1.00 0.00 O ATOM 706 CB GLN A 49 1.360 2.116 -6.951 1.00 0.00 C ATOM 707 CG GLN A 49 1.521 3.399 -7.749 1.00 0.00 C ATOM 708 CD GLN A 49 1.964 3.147 -9.177 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.309 2.418 -9.922 1.00 0.00 O ATOM 710 NE2 GLN A 49 3.081 3.749 -9.565 1.00 0.00 N ATOM 0 H GLN A 49 -0.246 0.350 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 49 0.935 3.031 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.345 1.757 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.923 1.351 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.574 3.939 -7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.250 4.041 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.592 4.345 -8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.429 3.616 -10.515 1.00 0.00 H new ATOM 719 N ILE A 50 -1.288 3.924 -5.623 1.00 0.00 N ATOM 720 CA ILE A 50 -2.599 4.483 -5.928 1.00 0.00 C ATOM 721 C ILE A 50 -2.482 5.673 -6.875 1.00 0.00 C ATOM 722 O ILE A 50 -1.449 6.341 -6.924 1.00 0.00 O ATOM 723 CB ILE A 50 -3.333 4.930 -4.649 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.651 3.719 -3.769 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.606 5.682 -5.005 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.188 4.089 -2.404 1.00 0.00 C ATOM 0 H ILE A 50 -0.707 4.512 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.174 3.692 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.682 5.602 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.381 3.091 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.747 3.122 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.113 5.991 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.355 6.562 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.263 5.032 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.391 3.182 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.451 4.692 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.110 4.660 -2.518 1.00 0.00 H new ATOM 738 N ASP A 51 -3.548 5.932 -7.624 1.00 0.00 N ATOM 739 CA ASP A 51 -3.567 7.044 -8.568 1.00 0.00 C ATOM 740 C ASP A 51 -2.745 8.217 -8.043 1.00 0.00 C ATOM 741 O ASP A 51 -1.745 8.606 -8.646 1.00 0.00 O ATOM 742 CB ASP A 51 -5.005 7.491 -8.834 1.00 0.00 C ATOM 743 CG ASP A 51 -5.864 6.375 -9.395 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.397 5.671 -10.315 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.004 6.204 -8.914 1.00 0.00 O ATOM 0 H ASP A 51 -4.410 5.388 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.123 6.702 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.447 7.854 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.999 8.327 -9.533 1.00 0.00 H new ATOM 750 N ASP A 52 -3.175 8.776 -6.917 1.00 0.00 N ATOM 751 CA ASP A 52 -2.479 9.905 -6.311 1.00 0.00 C ATOM 752 C ASP A 52 -1.646 9.452 -5.116 1.00 0.00 C ATOM 753 O ASP A 52 -0.511 9.892 -4.936 1.00 0.00 O ATOM 754 CB ASP A 52 -3.482 10.974 -5.873 1.00 0.00 C ATOM 755 CG ASP A 52 -4.140 11.667 -7.050 1.00 0.00 C ATOM 756 OD1 ASP A 52 -3.408 12.223 -7.895 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.387 11.655 -7.125 1.00 0.00 O ATOM 0 H ASP A 52 -4.001 8.466 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.809 10.330 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.249 10.515 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.973 11.715 -5.257 1.00 0.00 H new ATOM 762 N GLU A 53 -2.218 8.570 -4.302 1.00 0.00 N ATOM 763 CA GLU A 53 -1.528 8.059 -3.123 1.00 0.00 C ATOM 764 C GLU A 53 -0.546 6.956 -3.504 1.00 0.00 C ATOM 765 O GLU A 53 -0.668 6.340 -4.562 1.00 0.00 O ATOM 766 CB GLU A 53 -2.538 7.529 -2.104 1.00 0.00 C ATOM 767 CG GLU A 53 -3.417 8.610 -1.498 1.00 0.00 C ATOM 768 CD GLU A 53 -2.741 9.338 -0.353 1.00 0.00 C ATOM 769 OE1 GLU A 53 -2.425 8.682 0.662 1.00 0.00 O ATOM 770 OE2 GLU A 53 -2.527 10.563 -0.471 1.00 0.00 O ATOM 0 H GLU A 53 -3.157 8.195 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.969 8.881 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.172 6.785 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.001 7.019 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.687 9.329 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.344 8.161 -1.141 1.00 0.00 H new ATOM 777 N GLU A 54 0.429 6.713 -2.633 1.00 0.00 N ATOM 778 CA GLU A 54 1.433 5.685 -2.879 1.00 0.00 C ATOM 779 C GLU A 54 2.067 5.220 -1.571 1.00 0.00 C ATOM 780 O GLU A 54 1.983 5.902 -0.550 1.00 0.00 O ATOM 781 CB GLU A 54 2.515 6.213 -3.823 1.00 0.00 C ATOM 782 CG GLU A 54 2.032 6.415 -5.250 1.00 0.00 C ATOM 783 CD GLU A 54 3.141 6.858 -6.184 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.967 6.006 -6.572 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.182 8.058 -6.528 1.00 0.00 O ATOM 0 H GLU A 54 0.544 7.214 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 54 0.937 4.834 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.890 7.161 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.353 5.516 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.601 5.484 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.236 7.160 -5.258 1.00 0.00 H new ATOM 792 N GLY A 55 2.703 4.053 -1.610 1.00 0.00 N ATOM 793 CA GLY A 55 3.341 3.516 -0.422 1.00 0.00 C ATOM 794 C GLY A 55 3.178 2.013 -0.306 1.00 0.00 C ATOM 795 O GLY A 55 2.985 1.324 -1.307 1.00 0.00 O ATOM 0 H GLY A 55 2.788 3.470 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.402 3.763 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.918 3.994 0.462 1.00 0.00 H new ATOM 799 N TRP A 56 3.258 1.504 0.919 1.00 0.00 N ATOM 800 CA TRP A 56 3.120 0.073 1.162 1.00 0.00 C ATOM 801 C TRP A 56 1.768 -0.244 1.791 1.00 0.00 C ATOM 802 O TRP A 56 1.345 0.415 2.741 1.00 0.00 O ATOM 803 CB TRP A 56 4.248 -0.422 2.069 1.00 0.00 C ATOM 804 CG TRP A 56 4.562 0.518 3.193 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.172 1.736 3.097 1.00 0.00 C ATOM 806 CD2 TRP A 56 4.283 0.315 4.583 1.00 0.00 C ATOM 807 NE1 TRP A 56 5.290 2.303 4.343 1.00 0.00 N ATOM 808 CE2 TRP A 56 4.751 1.452 5.271 1.00 0.00 C ATOM 809 CE3 TRP A 56 3.682 -0.714 5.312 1.00 0.00 C ATOM 810 CZ2 TRP A 56 4.636 1.584 6.653 1.00 0.00 C ATOM 811 CZ3 TRP A 56 3.569 -0.581 6.683 1.00 0.00 C ATOM 812 CH2 TRP A 56 4.044 0.561 7.342 1.00 0.00 C ATOM 0 H TRP A 56 3.418 2.061 1.758 1.00 0.00 H new ATOM 0 HA TRP A 56 3.183 -0.441 0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.973 -1.392 2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.146 -0.574 1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.512 2.187 2.177 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.711 3.210 4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.312 -1.598 4.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.001 2.463 7.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.107 -1.371 7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.941 0.635 8.415 1.00 0.00 H new ATOM 823 N PHE A 57 1.094 -1.257 1.256 1.00 0.00 N ATOM 824 CA PHE A 57 -0.211 -1.661 1.766 1.00 0.00 C ATOM 825 C PHE A 57 -0.149 -3.059 2.374 1.00 0.00 C ATOM 826 O PHE A 57 0.665 -3.897 1.986 1.00 0.00 O ATOM 827 CB PHE A 57 -1.253 -1.625 0.646 1.00 0.00 C ATOM 828 CG PHE A 57 -1.114 -2.752 -0.337 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.056 -2.784 -1.230 1.00 0.00 C ATOM 830 CD2 PHE A 57 -2.042 -3.781 -0.367 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.074 -3.819 -2.137 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.918 -4.819 -1.271 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.858 -4.839 -2.156 1.00 0.00 C ATOM 0 H PHE A 57 1.430 -1.813 0.470 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.502 -0.958 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.250 -1.658 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.171 -0.677 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.677 -1.991 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.872 -3.772 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.903 -3.830 -2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.649 -5.614 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.758 -5.650 -2.862 1.00 0.00 H new ATOM 843 N PRO A 58 -1.029 -3.318 3.353 1.00 0.00 N ATOM 844 CA PRO A 58 -1.095 -4.613 4.036 1.00 0.00 C ATOM 845 C PRO A 58 -1.626 -5.719 3.131 1.00 0.00 C ATOM 846 O PRO A 58 -2.782 -5.689 2.711 1.00 0.00 O ATOM 847 CB PRO A 58 -2.065 -4.355 5.192 1.00 0.00 C ATOM 848 CG PRO A 58 -2.914 -3.223 4.728 1.00 0.00 C ATOM 849 CD PRO A 58 -2.028 -2.366 3.867 1.00 0.00 C ATOM 0 HA PRO A 58 -0.111 -4.956 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.666 -5.238 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.531 -4.100 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.773 -3.586 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.304 -2.656 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.587 -1.895 3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.562 -1.565 4.441 1.00 0.00 H new ATOM 857 N ALA A 59 -0.774 -6.695 2.836 1.00 0.00 N ATOM 858 CA ALA A 59 -1.160 -7.813 1.983 1.00 0.00 C ATOM 859 C ALA A 59 -2.130 -8.744 2.702 1.00 0.00 C ATOM 860 O ALA A 59 -2.648 -9.692 2.113 1.00 0.00 O ATOM 861 CB ALA A 59 0.073 -8.581 1.529 1.00 0.00 C ATOM 0 H ALA A 59 0.187 -6.735 3.175 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.667 -7.410 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.230 -9.413 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.730 -7.916 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.604 -8.965 2.400 1.00 0.00 H new ATOM 867 N SER A 60 -2.370 -8.467 3.980 1.00 0.00 N ATOM 868 CA SER A 60 -3.275 -9.283 4.782 1.00 0.00 C ATOM 869 C SER A 60 -4.646 -8.623 4.894 1.00 0.00 C ATOM 870 O SER A 60 -5.669 -9.302 4.987 1.00 0.00 O ATOM 871 CB SER A 60 -2.690 -9.511 6.177 1.00 0.00 C ATOM 872 OG SER A 60 -3.632 -10.139 7.029 1.00 0.00 O ATOM 0 H SER A 60 -1.951 -7.684 4.482 1.00 0.00 H new ATOM 0 HA SER A 60 -3.394 -10.246 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.794 -10.128 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.385 -8.557 6.607 1.00 0.00 H new ATOM 0 HG SER A 60 -3.233 -10.275 7.914 1.00 0.00 H new ATOM 878 N PHE A 61 -4.659 -7.295 4.885 1.00 0.00 N ATOM 879 CA PHE A 61 -5.903 -6.541 4.987 1.00 0.00 C ATOM 880 C PHE A 61 -6.527 -6.333 3.610 1.00 0.00 C ATOM 881 O PHE A 61 -7.551 -5.663 3.475 1.00 0.00 O ATOM 882 CB PHE A 61 -5.652 -5.188 5.655 1.00 0.00 C ATOM 883 CG PHE A 61 -5.795 -5.221 7.149 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.245 -6.256 7.889 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.480 -4.218 7.815 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.377 -6.290 9.264 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.615 -4.246 9.191 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.062 -5.283 9.916 1.00 0.00 C ATOM 0 H PHE A 61 -3.822 -6.718 4.808 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.598 -7.116 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.648 -4.848 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.349 -4.456 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.707 -7.045 7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.914 -3.404 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.945 -7.103 9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.152 -3.458 9.698 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.165 -5.307 10.991 1.00 0.00 H new ATOM 898 N VAL A 62 -5.902 -6.913 2.590 1.00 0.00 N ATOM 899 CA VAL A 62 -6.395 -6.792 1.223 1.00 0.00 C ATOM 900 C VAL A 62 -6.690 -8.162 0.622 1.00 0.00 C ATOM 901 O VAL A 62 -6.046 -9.153 0.965 1.00 0.00 O ATOM 902 CB VAL A 62 -5.384 -6.056 0.324 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.162 -4.636 0.821 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.070 -6.821 0.265 1.00 0.00 C ATOM 0 H VAL A 62 -5.054 -7.471 2.685 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.317 -6.212 1.270 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.793 -6.002 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.445 -4.132 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.107 -4.094 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.774 -4.663 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.367 -6.287 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.654 -6.908 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.247 -7.817 -0.142 1.00 0.00 H new ATOM 914 N ARG A 63 -7.668 -8.209 -0.277 1.00 0.00 N ATOM 915 CA ARG A 63 -8.049 -9.458 -0.925 1.00 0.00 C ATOM 916 C ARG A 63 -7.515 -9.514 -2.354 1.00 0.00 C ATOM 917 O ARG A 63 -7.711 -8.586 -3.138 1.00 0.00 O ATOM 918 CB ARG A 63 -9.572 -9.610 -0.933 1.00 0.00 C ATOM 919 CG ARG A 63 -10.119 -10.322 0.293 1.00 0.00 C ATOM 920 CD ARG A 63 -9.795 -11.807 0.266 1.00 0.00 C ATOM 921 NE ARG A 63 -10.636 -12.534 -0.682 1.00 0.00 N ATOM 922 CZ ARG A 63 -11.882 -12.911 -0.418 1.00 0.00 C ATOM 923 NH1 ARG A 63 -12.429 -12.631 0.757 1.00 0.00 N ATOM 924 NH2 ARG A 63 -12.584 -13.569 -1.332 1.00 0.00 N ATOM 0 H ARG A 63 -8.210 -7.397 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.611 -10.280 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.027 -8.622 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.869 -10.161 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.699 -9.873 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.199 -10.185 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.747 -11.945 0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.928 -12.225 1.264 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.245 -12.764 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.893 -12.125 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.386 -12.922 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.167 -13.785 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.541 -13.858 -1.129 1.00 0.00 H new ATOM 938 N LEU A 64 -6.838 -10.609 -2.684 1.00 0.00 N ATOM 939 CA LEU A 64 -6.274 -10.786 -4.017 1.00 0.00 C ATOM 940 C LEU A 64 -7.369 -10.766 -5.079 1.00 0.00 C ATOM 941 O LEU A 64 -8.525 -11.083 -4.798 1.00 0.00 O ATOM 942 CB LEU A 64 -5.499 -12.103 -4.093 1.00 0.00 C ATOM 943 CG LEU A 64 -4.101 -12.095 -3.473 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.700 -13.498 -3.044 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.086 -11.524 -4.452 1.00 0.00 C ATOM 0 H LEU A 64 -6.667 -11.387 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.592 -9.958 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.088 -12.877 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.408 -12.388 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.120 -11.458 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.703 -13.473 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.412 -13.870 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.698 -14.157 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.097 -11.526 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.069 -12.134 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.364 -10.502 -4.710 1.00 0.00 H new ATOM 957 N TRP A 65 -6.997 -10.394 -6.298 1.00 0.00 N ATOM 958 CA TRP A 65 -7.948 -10.335 -7.402 1.00 0.00 C ATOM 959 C TRP A 65 -8.061 -11.687 -8.096 1.00 0.00 C ATOM 960 O TRP A 65 -8.261 -11.760 -9.309 1.00 0.00 O ATOM 961 CB TRP A 65 -7.524 -9.265 -8.410 1.00 0.00 C ATOM 962 CG TRP A 65 -8.094 -7.911 -8.114 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.218 -7.324 -6.887 1.00 0.00 C ATOM 964 CD2 TRP A 65 -8.619 -6.976 -9.062 1.00 0.00 C ATOM 965 NE1 TRP A 65 -8.788 -6.081 -7.015 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.043 -5.843 -8.340 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.771 -6.984 -10.452 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.608 -4.733 -8.962 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -9.332 -5.881 -11.067 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.745 -4.768 -10.323 1.00 0.00 C ATOM 0 H TRP A 65 -6.044 -10.129 -6.547 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.925 -10.074 -6.994 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.436 -9.199 -8.422 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.836 -9.572 -9.408 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.913 -7.772 -5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.989 -5.439 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.456 -7.837 -11.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.927 -3.874 -8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.454 -5.877 -12.140 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.180 -3.921 -10.833 1.00 0.00 H new