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 116:sc= 0.607 USER MOD Single : A 19 HIS : no HD1:sc= -3.48! X(o=-3.5!,f=-3.2) USER MOD Single : A 21 THR OG1 : rot 18:sc= -1.19 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00157) USER MOD Single : A 49 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.46) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 2.327 -8.135 -12.697 1.00 0.00 N ATOM 90 CA ILE A 10 1.629 -7.241 -11.783 1.00 0.00 C ATOM 91 C ILE A 10 0.248 -7.785 -11.430 1.00 0.00 C ATOM 92 O ILE A 10 -0.513 -8.193 -12.307 1.00 0.00 O ATOM 93 CB ILE A 10 1.475 -5.831 -12.381 1.00 0.00 C ATOM 94 CG1 ILE A 10 2.849 -5.224 -12.673 1.00 0.00 C ATOM 95 CG2 ILE A 10 0.685 -4.937 -11.436 1.00 0.00 C ATOM 96 CD1 ILE A 10 2.839 -4.222 -13.806 1.00 0.00 C ATOM 0 HA ILE A 10 2.235 -7.178 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 10 0.926 -5.909 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.221 -4.737 -11.772 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.547 -6.025 -12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.585 -3.944 -11.873 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.305 -5.364 -11.274 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.208 -4.863 -10.483 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.846 -3.833 -13.957 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.498 -4.709 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.166 -3.401 -13.559 1.00 0.00 H new ATOM 108 N VAL A 11 -0.070 -7.785 -10.139 1.00 0.00 N ATOM 109 CA VAL A 11 -1.360 -8.275 -9.669 1.00 0.00 C ATOM 110 C VAL A 11 -2.191 -7.147 -9.070 1.00 0.00 C ATOM 111 O VAL A 11 -1.670 -6.077 -8.756 1.00 0.00 O ATOM 112 CB VAL A 11 -1.189 -9.387 -8.617 1.00 0.00 C ATOM 113 CG1 VAL A 11 -0.878 -8.789 -7.254 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.434 -10.258 -8.556 1.00 0.00 C ATOM 0 H VAL A 11 0.549 -7.451 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.879 -8.683 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.348 -10.016 -8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.761 -9.590 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.045 -8.212 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.695 -8.136 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.296 -11.038 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.294 -9.645 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.606 -10.716 -9.530 1.00 0.00 H new ATOM 124 N SER A 12 -3.488 -7.394 -8.913 1.00 0.00 N ATOM 125 CA SER A 12 -4.394 -6.397 -8.354 1.00 0.00 C ATOM 126 C SER A 12 -5.216 -6.990 -7.213 1.00 0.00 C ATOM 127 O SER A 12 -5.465 -8.194 -7.173 1.00 0.00 O ATOM 128 CB SER A 12 -5.324 -5.856 -9.441 1.00 0.00 C ATOM 129 OG SER A 12 -5.719 -6.884 -10.333 1.00 0.00 O ATOM 0 H SER A 12 -3.935 -8.276 -9.165 1.00 0.00 H new ATOM 0 HA SER A 12 -3.794 -5.577 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.206 -5.411 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.819 -5.064 -9.995 1.00 0.00 H new ATOM 0 HG SER A 12 -6.687 -7.022 -10.265 1.00 0.00 H new ATOM 135 N ALA A 13 -5.635 -6.133 -6.287 1.00 0.00 N ATOM 136 CA ALA A 13 -6.430 -6.570 -5.147 1.00 0.00 C ATOM 137 C ALA A 13 -7.386 -5.472 -4.691 1.00 0.00 C ATOM 138 O ALA A 13 -7.246 -4.314 -5.083 1.00 0.00 O ATOM 139 CB ALA A 13 -5.523 -6.992 -4.001 1.00 0.00 C ATOM 0 H ALA A 13 -5.437 -5.133 -6.305 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.026 -7.428 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.131 -7.316 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.885 -7.814 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.902 -6.149 -3.699 1.00 0.00 H new ATOM 145 N GLU A 14 -8.356 -5.845 -3.863 1.00 0.00 N ATOM 146 CA GLU A 14 -9.335 -4.891 -3.356 1.00 0.00 C ATOM 147 C GLU A 14 -9.334 -4.868 -1.830 1.00 0.00 C ATOM 148 O GLU A 14 -9.551 -5.893 -1.183 1.00 0.00 O ATOM 149 CB GLU A 14 -10.734 -5.239 -3.870 1.00 0.00 C ATOM 150 CG GLU A 14 -11.855 -4.629 -3.046 1.00 0.00 C ATOM 151 CD GLU A 14 -13.198 -4.700 -3.745 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.795 -5.797 -3.772 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.652 -3.660 -4.265 1.00 0.00 O ATOM 0 H GLU A 14 -8.485 -6.800 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.059 -3.901 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.827 -4.900 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.849 -6.323 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.920 -5.146 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.617 -3.588 -2.830 1.00 0.00 H new ATOM 160 N ALA A 15 -9.087 -3.693 -1.261 1.00 0.00 N ATOM 161 CA ALA A 15 -9.058 -3.536 0.187 1.00 0.00 C ATOM 162 C ALA A 15 -10.350 -4.042 0.820 1.00 0.00 C ATOM 163 O ALA A 15 -11.442 -3.590 0.473 1.00 0.00 O ATOM 164 CB ALA A 15 -8.823 -2.078 0.556 1.00 0.00 C ATOM 0 H ALA A 15 -8.904 -2.835 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.234 -4.135 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.804 -1.976 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.870 -1.747 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.627 -1.465 0.148 1.00 0.00 H new ATOM 170 N VAL A 16 -10.220 -4.983 1.750 1.00 0.00 N ATOM 171 CA VAL A 16 -11.377 -5.550 2.431 1.00 0.00 C ATOM 172 C VAL A 16 -11.592 -4.892 3.790 1.00 0.00 C ATOM 173 O VAL A 16 -12.705 -4.879 4.314 1.00 0.00 O ATOM 174 CB VAL A 16 -11.223 -7.070 2.628 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.416 -7.802 1.308 1.00 0.00 C ATOM 176 CG2 VAL A 16 -9.866 -7.394 3.233 1.00 0.00 C ATOM 0 H VAL A 16 -9.324 -5.369 2.049 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.243 -5.359 1.797 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.994 -7.409 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.304 -8.874 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.413 -7.595 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.670 -7.461 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.775 -8.472 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.078 -7.042 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.772 -6.901 4.200 1.00 0.00 H new ATOM 186 N TRP A 17 -10.520 -4.347 4.353 1.00 0.00 N ATOM 187 CA TRP A 17 -10.591 -3.687 5.651 1.00 0.00 C ATOM 188 C TRP A 17 -9.856 -2.351 5.623 1.00 0.00 C ATOM 189 O TRP A 17 -8.810 -2.221 4.987 1.00 0.00 O ATOM 190 CB TRP A 17 -10.000 -4.586 6.738 1.00 0.00 C ATOM 191 CG TRP A 17 -10.784 -5.844 6.960 1.00 0.00 C ATOM 192 CD1 TRP A 17 -10.540 -7.070 6.410 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.941 -5.997 7.790 1.00 0.00 C ATOM 194 NE1 TRP A 17 -11.475 -7.976 6.849 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.345 -7.343 7.697 1.00 0.00 C ATOM 196 CE3 TRP A 17 -12.673 -5.129 8.604 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -13.449 -7.838 8.386 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -13.768 -5.622 9.288 1.00 0.00 C ATOM 199 CH2 TRP A 17 -14.147 -6.966 9.176 1.00 0.00 C ATOM 0 H TRP A 17 -9.591 -4.349 3.931 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.640 -3.499 5.878 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.977 -4.847 6.467 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.950 -4.028 7.673 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.731 -7.294 5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.515 -8.961 6.586 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -12.388 -4.091 8.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.744 -8.873 8.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -14.341 -4.960 9.920 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -15.007 -7.321 9.724 1.00 0.00 H new ATOM 210 N ASP A 18 -10.409 -1.362 6.317 1.00 0.00 N ATOM 211 CA ASP A 18 -9.804 -0.036 6.372 1.00 0.00 C ATOM 212 C ASP A 18 -8.422 -0.096 7.016 1.00 0.00 C ATOM 213 O ASP A 18 -8.208 -0.826 7.985 1.00 0.00 O ATOM 214 CB ASP A 18 -10.703 0.925 7.152 1.00 0.00 C ATOM 215 CG ASP A 18 -12.131 0.924 6.643 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.384 1.538 5.585 1.00 0.00 O ATOM 217 OD2 ASP A 18 -12.996 0.310 7.303 1.00 0.00 O ATOM 0 H ASP A 18 -11.275 -1.453 6.849 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.694 0.330 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.696 0.649 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.297 1.934 7.084 1.00 0.00 H new ATOM 222 N HIS A 19 -7.487 0.676 6.471 1.00 0.00 N ATOM 223 CA HIS A 19 -6.125 0.710 6.993 1.00 0.00 C ATOM 224 C HIS A 19 -5.726 2.132 7.375 1.00 0.00 C ATOM 225 O HIS A 19 -4.914 2.763 6.698 1.00 0.00 O ATOM 226 CB HIS A 19 -5.147 0.154 5.958 1.00 0.00 C ATOM 227 CG HIS A 19 -3.710 0.294 6.357 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.758 0.880 5.549 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.064 -0.077 7.487 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.589 0.861 6.163 1.00 0.00 C ATOM 231 NE2 HIS A 19 -1.748 0.285 7.342 1.00 0.00 N ATOM 0 H HIS A 19 -7.647 1.286 5.669 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.088 0.088 7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.368 -0.900 5.791 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.304 0.667 5.009 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.503 -0.567 8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.662 1.250 5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.012 0.134 8.032 1.00 0.00 H new ATOM 240 N VAL A 20 -6.303 2.632 8.463 1.00 0.00 N ATOM 241 CA VAL A 20 -6.007 3.979 8.936 1.00 0.00 C ATOM 242 C VAL A 20 -4.641 4.037 9.610 1.00 0.00 C ATOM 243 O VAL A 20 -4.413 3.392 10.634 1.00 0.00 O ATOM 244 CB VAL A 20 -7.078 4.475 9.925 1.00 0.00 C ATOM 245 CG1 VAL A 20 -6.754 5.882 10.402 1.00 0.00 C ATOM 246 CG2 VAL A 20 -8.457 4.424 9.287 1.00 0.00 C ATOM 0 H VAL A 20 -6.979 2.124 9.034 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.004 4.628 8.061 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.080 3.815 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.522 6.215 11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.785 5.883 10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.723 6.558 9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.201 4.778 10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.472 5.059 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.688 3.398 9.001 1.00 0.00 H new ATOM 256 N THR A 21 -3.733 4.816 9.030 1.00 0.00 N ATOM 257 CA THR A 21 -2.389 4.959 9.575 1.00 0.00 C ATOM 258 C THR A 21 -2.151 6.374 10.089 1.00 0.00 C ATOM 259 O THR A 21 -2.482 7.351 9.419 1.00 0.00 O ATOM 260 CB THR A 21 -1.317 4.621 8.521 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.355 5.581 7.459 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.533 3.225 7.957 1.00 0.00 C ATOM 0 H THR A 21 -3.904 5.357 8.183 1.00 0.00 H new ATOM 0 HA THR A 21 -2.308 4.256 10.404 1.00 0.00 H new ATOM 0 HB THR A 21 -0.341 4.653 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.832 6.383 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.764 3.009 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.475 2.494 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.515 3.170 7.488 1.00 0.00 H new ATOM 270 N MET A 22 -1.575 6.475 11.282 1.00 0.00 N ATOM 271 CA MET A 22 -1.291 7.773 11.886 1.00 0.00 C ATOM 272 C MET A 22 0.047 8.318 11.398 1.00 0.00 C ATOM 273 O MET A 22 0.820 8.879 12.174 1.00 0.00 O ATOM 274 CB MET A 22 -1.283 7.659 13.411 1.00 0.00 C ATOM 275 CG MET A 22 -2.637 7.297 14.001 1.00 0.00 C ATOM 276 SD MET A 22 -2.538 6.850 15.745 1.00 0.00 S ATOM 277 CE MET A 22 -3.246 8.307 16.509 1.00 0.00 C ATOM 0 H MET A 22 -1.296 5.675 11.850 1.00 0.00 H new ATOM 0 HA MET A 22 -2.077 8.466 11.585 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.554 6.905 13.707 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.952 8.607 13.836 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.317 8.141 13.884 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.062 6.465 13.440 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.254 8.183 17.592 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.649 9.181 16.249 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.267 8.445 16.152 1.00 0.00 H new ATOM 287 N ALA A 23 0.315 8.149 10.107 1.00 0.00 N ATOM 288 CA ALA A 23 1.559 8.626 9.516 1.00 0.00 C ATOM 289 C ALA A 23 1.366 8.987 8.047 1.00 0.00 C ATOM 290 O ALA A 23 0.502 8.431 7.370 1.00 0.00 O ATOM 291 CB ALA A 23 2.651 7.577 9.665 1.00 0.00 C ATOM 0 H ALA A 23 -0.313 7.685 9.451 1.00 0.00 H new ATOM 0 HA ALA A 23 1.862 9.528 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.574 7.947 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.816 7.371 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.346 6.660 9.160 1.00 0.00 H new ATOM 297 N ASN A 24 2.177 9.921 7.560 1.00 0.00 N ATOM 298 CA ASN A 24 2.094 10.357 6.171 1.00 0.00 C ATOM 299 C ASN A 24 2.816 9.378 5.250 1.00 0.00 C ATOM 300 O ASN A 24 2.338 9.069 4.159 1.00 0.00 O ATOM 301 CB ASN A 24 2.693 11.756 6.017 1.00 0.00 C ATOM 302 CG ASN A 24 3.051 12.077 4.579 1.00 0.00 C ATOM 303 OD1 ASN A 24 2.273 11.815 3.661 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.233 12.647 4.376 1.00 0.00 N ATOM 0 H ASN A 24 2.899 10.390 8.107 1.00 0.00 H new ATOM 0 HA ASN A 24 1.042 10.387 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.982 12.495 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.586 11.836 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.528 12.886 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.846 12.846 5.167 1.00 0.00 H new ATOM 311 N ARG A 25 3.969 8.894 5.698 1.00 0.00 N ATOM 312 CA ARG A 25 4.758 7.951 4.915 1.00 0.00 C ATOM 313 C ARG A 25 4.097 6.575 4.894 1.00 0.00 C ATOM 314 O ARG A 25 4.586 5.652 4.243 1.00 0.00 O ATOM 315 CB ARG A 25 6.173 7.840 5.484 1.00 0.00 C ATOM 316 CG ARG A 25 6.209 7.491 6.963 1.00 0.00 C ATOM 317 CD ARG A 25 7.537 6.862 7.355 1.00 0.00 C ATOM 318 NE ARG A 25 7.485 6.254 8.682 1.00 0.00 N ATOM 319 CZ ARG A 25 8.487 5.563 9.214 1.00 0.00 C ATOM 320 NH1 ARG A 25 9.613 5.394 8.536 1.00 0.00 N ATOM 321 NH2 ARG A 25 8.363 5.041 10.428 1.00 0.00 N ATOM 0 H ARG A 25 4.378 9.139 6.600 1.00 0.00 H new ATOM 0 HA ARG A 25 4.814 8.324 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.721 7.080 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.693 8.786 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.043 8.391 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.396 6.803 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.810 6.105 6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.318 7.622 7.335 1.00 0.00 H new ATOM 0 HE ARG A 25 6.632 6.366 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.712 5.795 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.381 4.863 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.498 5.170 10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.133 4.510 10.836 1.00 0.00 H new ATOM 335 N GLU A 26 2.985 6.448 5.611 1.00 0.00 N ATOM 336 CA GLU A 26 2.259 5.185 5.675 1.00 0.00 C ATOM 337 C GLU A 26 1.068 5.192 4.721 1.00 0.00 C ATOM 338 O GLU A 26 0.060 5.854 4.973 1.00 0.00 O ATOM 339 CB GLU A 26 1.780 4.918 7.103 1.00 0.00 C ATOM 340 CG GLU A 26 2.810 4.211 7.968 1.00 0.00 C ATOM 341 CD GLU A 26 2.946 2.739 7.629 1.00 0.00 C ATOM 342 OE1 GLU A 26 2.766 2.383 6.446 1.00 0.00 O ATOM 343 OE2 GLU A 26 3.232 1.943 8.548 1.00 0.00 O ATOM 0 H GLU A 26 2.568 7.203 6.155 1.00 0.00 H new ATOM 0 HA GLU A 26 2.940 4.389 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.514 5.866 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.873 4.315 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.777 4.699 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.531 4.314 9.017 1.00 0.00 H new ATOM 350 N LEU A 27 1.192 4.454 3.623 1.00 0.00 N ATOM 351 CA LEU A 27 0.126 4.375 2.630 1.00 0.00 C ATOM 352 C LEU A 27 -1.179 3.909 3.267 1.00 0.00 C ATOM 353 O LEU A 27 -1.364 2.721 3.528 1.00 0.00 O ATOM 354 CB LEU A 27 0.525 3.424 1.501 1.00 0.00 C ATOM 355 CG LEU A 27 -0.344 3.474 0.243 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.253 4.842 -0.414 1.00 0.00 C ATOM 357 CD2 LEU A 27 0.069 2.383 -0.734 1.00 0.00 C ATOM 0 H LEU A 27 2.020 3.902 3.398 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.029 5.372 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.554 3.642 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.510 2.405 1.889 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.380 3.301 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.878 4.859 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.598 5.605 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.782 5.045 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.560 2.434 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.112 2.525 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.049 1.408 -0.261 1.00 0.00 H new ATOM 369 N ALA A 28 -2.082 4.853 3.512 1.00 0.00 N ATOM 370 CA ALA A 28 -3.371 4.538 4.114 1.00 0.00 C ATOM 371 C ALA A 28 -4.472 4.488 3.060 1.00 0.00 C ATOM 372 O ALA A 28 -4.503 5.307 2.141 1.00 0.00 O ATOM 373 CB ALA A 28 -3.715 5.558 5.190 1.00 0.00 C ATOM 0 H ALA A 28 -1.944 5.842 3.303 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.298 3.552 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.681 5.310 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.948 5.543 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.763 6.553 4.746 1.00 0.00 H new ATOM 379 N PHE A 29 -5.373 3.522 3.197 1.00 0.00 N ATOM 380 CA PHE A 29 -6.475 3.364 2.255 1.00 0.00 C ATOM 381 C PHE A 29 -7.721 2.832 2.959 1.00 0.00 C ATOM 382 O PHE A 29 -7.643 2.298 4.065 1.00 0.00 O ATOM 383 CB PHE A 29 -6.073 2.418 1.121 1.00 0.00 C ATOM 384 CG PHE A 29 -5.316 1.209 1.589 1.00 0.00 C ATOM 385 CD1 PHE A 29 -5.983 0.130 2.146 1.00 0.00 C ATOM 386 CD2 PHE A 29 -3.936 1.151 1.472 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.289 -0.984 2.578 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.236 0.039 1.903 1.00 0.00 C ATOM 389 CZ PHE A 29 -3.914 -1.030 2.455 1.00 0.00 C ATOM 0 H PHE A 29 -5.362 2.836 3.952 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.706 4.344 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.970 2.093 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.462 2.964 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.058 0.160 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.401 1.984 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.821 -1.818 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.161 0.007 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.370 -1.901 2.790 1.00 0.00 H new ATOM 399 N LYS A 30 -8.870 2.983 2.309 1.00 0.00 N ATOM 400 CA LYS A 30 -10.133 2.519 2.869 1.00 0.00 C ATOM 401 C LYS A 30 -10.700 1.363 2.050 1.00 0.00 C ATOM 402 O LYS A 30 -10.202 1.055 0.967 1.00 0.00 O ATOM 403 CB LYS A 30 -11.144 3.666 2.921 1.00 0.00 C ATOM 404 CG LYS A 30 -10.863 4.676 4.020 1.00 0.00 C ATOM 405 CD LYS A 30 -12.047 5.603 4.241 1.00 0.00 C ATOM 406 CE LYS A 30 -12.004 6.242 5.621 1.00 0.00 C ATOM 407 NZ LYS A 30 -10.953 7.292 5.713 1.00 0.00 N ATOM 0 H LYS A 30 -8.952 3.424 1.393 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.944 2.164 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.148 4.180 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.142 3.253 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.632 4.151 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.983 5.264 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.048 6.382 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.975 5.043 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.976 6.680 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.817 5.474 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.956 7.703 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.022 6.869 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.146 8.038 5.015 1.00 0.00 H new ATOM 421 N ALA A 31 -11.744 0.729 2.573 1.00 0.00 N ATOM 422 CA ALA A 31 -12.380 -0.389 1.888 1.00 0.00 C ATOM 423 C ALA A 31 -12.972 0.049 0.553 1.00 0.00 C ATOM 424 O ALA A 31 -13.858 0.901 0.506 1.00 0.00 O ATOM 425 CB ALA A 31 -13.457 -1.004 2.769 1.00 0.00 C ATOM 0 H ALA A 31 -12.167 0.971 3.469 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.617 -1.141 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.924 -1.838 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.008 -1.363 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.212 -0.252 2.999 1.00 0.00 H new ATOM 431 N GLY A 32 -12.474 -0.537 -0.531 1.00 0.00 N ATOM 432 CA GLY A 32 -12.965 -0.193 -1.853 1.00 0.00 C ATOM 433 C GLY A 32 -11.874 0.352 -2.753 1.00 0.00 C ATOM 434 O GLY A 32 -11.896 0.137 -3.965 1.00 0.00 O ATOM 0 H GLY A 32 -11.739 -1.244 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.405 -1.077 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.759 0.548 -1.761 1.00 0.00 H new ATOM 438 N ASP A 33 -10.919 1.060 -2.160 1.00 0.00 N ATOM 439 CA ASP A 33 -9.815 1.638 -2.917 1.00 0.00 C ATOM 440 C ASP A 33 -8.999 0.549 -3.606 1.00 0.00 C ATOM 441 O ASP A 33 -8.571 -0.416 -2.971 1.00 0.00 O ATOM 442 CB ASP A 33 -8.914 2.463 -1.996 1.00 0.00 C ATOM 443 CG ASP A 33 -9.385 3.897 -1.858 1.00 0.00 C ATOM 444 OD1 ASP A 33 -9.852 4.467 -2.866 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.285 4.450 -0.743 1.00 0.00 O ATOM 0 H ASP A 33 -10.887 1.247 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.234 2.291 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.883 1.998 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.896 2.454 -2.385 1.00 0.00 H new ATOM 450 N VAL A 34 -8.787 0.709 -4.908 1.00 0.00 N ATOM 451 CA VAL A 34 -8.022 -0.261 -5.683 1.00 0.00 C ATOM 452 C VAL A 34 -6.530 0.051 -5.635 1.00 0.00 C ATOM 453 O VAL A 34 -6.102 1.143 -6.008 1.00 0.00 O ATOM 454 CB VAL A 34 -8.482 -0.292 -7.153 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.649 -1.284 -7.952 1.00 0.00 C ATOM 456 CG2 VAL A 34 -9.961 -0.634 -7.241 1.00 0.00 C ATOM 0 H VAL A 34 -9.134 1.501 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.200 -1.238 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.335 0.699 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.988 -1.293 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.600 -0.990 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.762 -2.281 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.269 -0.651 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.135 -1.613 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.541 0.117 -6.705 1.00 0.00 H new ATOM 466 N ILE A 35 -5.744 -0.916 -5.174 1.00 0.00 N ATOM 467 CA ILE A 35 -4.300 -0.745 -5.079 1.00 0.00 C ATOM 468 C ILE A 35 -3.575 -1.617 -6.099 1.00 0.00 C ATOM 469 O ILE A 35 -3.638 -2.845 -6.040 1.00 0.00 O ATOM 470 CB ILE A 35 -3.784 -1.088 -3.669 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.525 -0.261 -2.616 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.285 -0.848 -3.581 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.632 -0.949 -1.273 1.00 0.00 C ATOM 0 H ILE A 35 -6.083 -1.826 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.092 0.304 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.975 -2.143 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.012 0.692 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.527 -0.037 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.935 -1.095 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.773 -1.477 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.071 0.200 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.169 -0.305 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.172 -1.889 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.633 -1.149 -0.886 1.00 0.00 H new ATOM 485 N LYS A 36 -2.884 -0.973 -7.034 1.00 0.00 N ATOM 486 CA LYS A 36 -2.143 -1.688 -8.067 1.00 0.00 C ATOM 487 C LYS A 36 -0.806 -2.188 -7.530 1.00 0.00 C ATOM 488 O LYS A 36 0.154 -1.425 -7.419 1.00 0.00 O ATOM 489 CB LYS A 36 -1.912 -0.781 -9.278 1.00 0.00 C ATOM 490 CG LYS A 36 -1.659 -1.542 -10.568 1.00 0.00 C ATOM 491 CD LYS A 36 -1.845 -0.652 -11.785 1.00 0.00 C ATOM 492 CE LYS A 36 -1.438 -1.366 -13.065 1.00 0.00 C ATOM 493 NZ LYS A 36 -2.380 -2.467 -13.409 1.00 0.00 N ATOM 0 H LYS A 36 -2.822 0.043 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.736 -2.550 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.781 -0.137 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.061 -0.130 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.646 -1.944 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.339 -2.392 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.888 -0.343 -11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.251 0.255 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.402 -0.649 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.432 -1.771 -12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.078 -2.918 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.383 -3.173 -12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.338 -2.080 -13.526 1.00 0.00 H new ATOM 507 N VAL A 37 -0.750 -3.474 -7.198 1.00 0.00 N ATOM 508 CA VAL A 37 0.471 -4.076 -6.675 1.00 0.00 C ATOM 509 C VAL A 37 1.549 -4.156 -7.751 1.00 0.00 C ATOM 510 O VAL A 37 1.404 -4.879 -8.737 1.00 0.00 O ATOM 511 CB VAL A 37 0.207 -5.489 -6.122 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.467 -6.057 -5.486 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.939 -5.463 -5.122 1.00 0.00 C ATOM 0 H VAL A 37 -1.536 -4.119 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 37 0.818 -3.435 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.078 -6.138 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.262 -7.056 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.259 -6.112 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.785 -5.411 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.112 -6.469 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.685 -4.801 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.842 -5.100 -5.613 1.00 0.00 H new ATOM 523 N LEU A 38 2.630 -3.410 -7.554 1.00 0.00 N ATOM 524 CA LEU A 38 3.734 -3.396 -8.507 1.00 0.00 C ATOM 525 C LEU A 38 4.637 -4.610 -8.311 1.00 0.00 C ATOM 526 O LEU A 38 4.809 -5.421 -9.222 1.00 0.00 O ATOM 527 CB LEU A 38 4.549 -2.111 -8.354 1.00 0.00 C ATOM 528 CG LEU A 38 3.747 -0.810 -8.300 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.659 0.367 -7.988 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.010 -0.583 -9.612 1.00 0.00 C ATOM 0 H LEU A 38 2.766 -2.807 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 38 3.315 -3.436 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.142 -2.187 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.250 -2.048 -9.186 1.00 0.00 H new ATOM 0 HG LEU A 38 3.009 -0.893 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.071 1.284 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.141 0.208 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.420 0.453 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.445 0.347 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.730 -0.521 -10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.327 -1.412 -9.794 1.00 0.00 H new ATOM 542 N ASP A 39 5.208 -4.730 -7.118 1.00 0.00 N ATOM 543 CA ASP A 39 6.090 -5.847 -6.802 1.00 0.00 C ATOM 544 C ASP A 39 5.390 -6.853 -5.894 1.00 0.00 C ATOM 545 O ASP A 39 4.708 -6.474 -4.942 1.00 0.00 O ATOM 546 CB ASP A 39 7.369 -5.341 -6.133 1.00 0.00 C ATOM 547 CG ASP A 39 8.390 -6.443 -5.927 1.00 0.00 C ATOM 548 OD1 ASP A 39 9.098 -6.786 -6.897 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.481 -6.963 -4.795 1.00 0.00 O ATOM 0 H ASP A 39 5.076 -4.068 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 39 6.350 -6.347 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.808 -4.553 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.120 -4.896 -5.170 1.00 0.00 H new ATOM 554 N ALA A 40 5.562 -8.136 -6.195 1.00 0.00 N ATOM 555 CA ALA A 40 4.947 -9.196 -5.406 1.00 0.00 C ATOM 556 C ALA A 40 5.968 -10.267 -5.036 1.00 0.00 C ATOM 557 O ALA A 40 5.896 -11.398 -5.515 1.00 0.00 O ATOM 558 CB ALA A 40 3.783 -9.813 -6.167 1.00 0.00 C ATOM 0 H ALA A 40 6.123 -8.466 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 40 4.570 -8.756 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.333 -10.603 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.037 -9.046 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.144 -10.232 -7.106 1.00 0.00 H new ATOM 611 N ASP A 44 4.645 -10.869 2.848 1.00 0.00 N ATOM 612 CA ASP A 44 5.088 -10.139 4.030 1.00 0.00 C ATOM 613 C ASP A 44 5.196 -8.646 3.738 1.00 0.00 C ATOM 614 O ASP A 44 4.829 -7.813 4.567 1.00 0.00 O ATOM 615 CB ASP A 44 6.438 -10.676 4.511 1.00 0.00 C ATOM 616 CG ASP A 44 6.337 -12.086 5.060 1.00 0.00 C ATOM 617 OD1 ASP A 44 5.349 -12.380 5.764 1.00 0.00 O ATOM 618 OD2 ASP A 44 7.247 -12.895 4.785 1.00 0.00 O ATOM 0 HA ASP A 44 4.347 -10.285 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.147 -10.661 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.834 -10.016 5.283 1.00 0.00 H new ATOM 623 N TRP A 45 5.702 -8.315 2.555 1.00 0.00 N ATOM 624 CA TRP A 45 5.859 -6.922 2.154 1.00 0.00 C ATOM 625 C TRP A 45 5.452 -6.725 0.698 1.00 0.00 C ATOM 626 O TRP A 45 6.169 -7.131 -0.216 1.00 0.00 O ATOM 627 CB TRP A 45 7.306 -6.471 2.358 1.00 0.00 C ATOM 628 CG TRP A 45 7.602 -6.039 3.762 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.537 -6.571 4.603 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.957 -4.988 4.490 1.00 0.00 C ATOM 631 NE1 TRP A 45 8.513 -5.914 5.809 1.00 0.00 N ATOM 632 CE2 TRP A 45 7.553 -4.938 5.765 1.00 0.00 C ATOM 633 CE3 TRP A 45 5.936 -4.083 4.187 1.00 0.00 C ATOM 634 CZ2 TRP A 45 7.160 -4.019 6.734 1.00 0.00 C ATOM 635 CZ3 TRP A 45 5.547 -3.172 5.151 1.00 0.00 C ATOM 636 CH2 TRP A 45 6.158 -3.145 6.411 1.00 0.00 C ATOM 0 H TRP A 45 6.010 -8.992 1.857 1.00 0.00 H new ATOM 0 HA TRP A 45 5.205 -6.314 2.779 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.975 -7.288 2.088 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.521 -5.646 1.679 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.198 -7.388 4.356 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.113 -6.120 6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.460 -4.095 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.629 -3.997 7.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.758 -2.469 4.929 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.832 -2.420 7.142 1.00 0.00 H new ATOM 647 N TRP A 46 4.299 -6.101 0.489 1.00 0.00 N ATOM 648 CA TRP A 46 3.798 -5.851 -0.857 1.00 0.00 C ATOM 649 C TRP A 46 3.612 -4.357 -1.101 1.00 0.00 C ATOM 650 O TRP A 46 3.049 -3.648 -0.266 1.00 0.00 O ATOM 651 CB TRP A 46 2.473 -6.584 -1.075 1.00 0.00 C ATOM 652 CG TRP A 46 2.644 -7.970 -1.621 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.818 -8.652 -1.770 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.609 -8.840 -2.090 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.574 -9.895 -2.305 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.226 -10.034 -2.509 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.220 -8.727 -2.195 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.502 -11.105 -3.025 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.498 -9.791 -2.708 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.143 -10.967 -3.117 1.00 0.00 C ATOM 0 H TRP A 46 3.693 -5.759 1.235 1.00 0.00 H new ATOM 0 HA TRP A 46 4.535 -6.227 -1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.936 -6.638 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.854 -6.005 -1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.794 -8.271 -1.507 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.281 -10.599 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.283 -7.825 -1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.995 -12.012 -3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.572 -9.714 -2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.446 -11.781 -3.513 1.00 0.00 H new ATOM 671 N TRP A 47 4.088 -3.885 -2.247 1.00 0.00 N ATOM 672 CA TRP A 47 3.973 -2.474 -2.599 1.00 0.00 C ATOM 673 C TRP A 47 2.662 -2.200 -3.329 1.00 0.00 C ATOM 674 O TRP A 47 2.222 -2.999 -4.154 1.00 0.00 O ATOM 675 CB TRP A 47 5.155 -2.047 -3.471 1.00 0.00 C ATOM 676 CG TRP A 47 5.138 -0.591 -3.824 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.561 -0.021 -4.923 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.724 0.479 -3.075 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.754 1.340 -4.902 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.464 1.671 -3.779 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.442 0.547 -1.878 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.898 2.914 -3.324 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.873 1.780 -1.429 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.599 2.950 -2.150 1.00 0.00 C ATOM 0 H TRP A 47 4.557 -4.458 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 47 3.982 -1.893 -1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.084 -2.276 -2.949 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.152 -2.636 -4.388 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.031 -0.560 -5.695 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.422 1.997 -5.608 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.656 -0.349 -1.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.689 3.817 -3.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.431 1.844 -0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.948 3.899 -1.771 1.00 0.00 H new ATOM 695 N GLY A 48 2.044 -1.065 -3.019 1.00 0.00 N ATOM 696 CA GLY A 48 0.789 -0.706 -3.655 1.00 0.00 C ATOM 697 C GLY A 48 0.850 0.647 -4.334 1.00 0.00 C ATOM 698 O GLY A 48 1.428 1.592 -3.798 1.00 0.00 O ATOM 0 H GLY A 48 2.389 -0.387 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.527 -1.467 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.004 -0.699 -2.908 1.00 0.00 H new ATOM 702 N GLN A 49 0.253 0.740 -5.518 1.00 0.00 N ATOM 703 CA GLN A 49 0.245 1.988 -6.273 1.00 0.00 C ATOM 704 C GLN A 49 -1.182 2.481 -6.494 1.00 0.00 C ATOM 705 O GLN A 49 -1.976 1.828 -7.171 1.00 0.00 O ATOM 706 CB GLN A 49 0.946 1.799 -7.619 1.00 0.00 C ATOM 707 CG GLN A 49 0.838 3.007 -8.536 1.00 0.00 C ATOM 708 CD GLN A 49 1.747 2.905 -9.745 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.851 3.450 -9.754 1.00 0.00 O ATOM 710 NE2 GLN A 49 1.286 2.204 -10.775 1.00 0.00 N ATOM 0 H GLN A 49 -0.231 -0.033 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 49 0.784 2.738 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.999 1.580 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.520 0.932 -8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.194 3.114 -8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.086 3.908 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.365 1.769 -10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.853 2.101 -11.616 1.00 0.00 H new ATOM 719 N ILE A 50 -1.499 3.635 -5.918 1.00 0.00 N ATOM 720 CA ILE A 50 -2.830 4.215 -6.053 1.00 0.00 C ATOM 721 C ILE A 50 -2.825 5.379 -7.039 1.00 0.00 C ATOM 722 O ILE A 50 -1.797 6.023 -7.249 1.00 0.00 O ATOM 723 CB ILE A 50 -3.370 4.708 -4.697 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.322 3.580 -3.665 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.789 5.232 -4.851 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.601 4.042 -2.252 1.00 0.00 C ATOM 0 H ILE A 50 -0.853 4.187 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.481 3.426 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.739 5.524 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.050 2.816 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.339 3.110 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.157 5.577 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.796 6.061 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.433 4.434 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.550 3.190 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.858 4.784 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.596 4.485 -2.204 1.00 0.00 H new ATOM 738 N ASP A 51 -3.980 5.644 -7.638 1.00 0.00 N ATOM 739 CA ASP A 51 -4.110 6.732 -8.600 1.00 0.00 C ATOM 740 C ASP A 51 -3.203 7.900 -8.225 1.00 0.00 C ATOM 741 O ASP A 51 -2.338 8.301 -9.004 1.00 0.00 O ATOM 742 CB ASP A 51 -5.563 7.204 -8.675 1.00 0.00 C ATOM 743 CG ASP A 51 -6.485 6.149 -9.256 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.341 5.830 -10.455 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.349 5.642 -8.511 1.00 0.00 O ATOM 0 H ASP A 51 -4.840 5.120 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.806 6.358 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.907 7.473 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.618 8.106 -9.284 1.00 0.00 H new ATOM 750 N ASP A 52 -3.407 8.441 -7.030 1.00 0.00 N ATOM 751 CA ASP A 52 -2.607 9.563 -6.551 1.00 0.00 C ATOM 752 C ASP A 52 -1.683 9.128 -5.419 1.00 0.00 C ATOM 753 O ASP A 52 -0.526 9.543 -5.355 1.00 0.00 O ATOM 754 CB ASP A 52 -3.515 10.699 -6.077 1.00 0.00 C ATOM 755 CG ASP A 52 -4.715 10.897 -6.982 1.00 0.00 C ATOM 756 OD1 ASP A 52 -4.518 11.283 -8.153 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.852 10.667 -6.519 1.00 0.00 O ATOM 0 H ASP A 52 -4.120 8.121 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.994 9.919 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.858 10.487 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.941 11.624 -6.032 1.00 0.00 H new ATOM 762 N GLU A 53 -2.202 8.290 -4.527 1.00 0.00 N ATOM 763 CA GLU A 53 -1.423 7.801 -3.395 1.00 0.00 C ATOM 764 C GLU A 53 -0.439 6.722 -3.839 1.00 0.00 C ATOM 765 O GLU A 53 -0.662 6.036 -4.835 1.00 0.00 O ATOM 766 CB GLU A 53 -2.349 7.247 -2.311 1.00 0.00 C ATOM 767 CG GLU A 53 -2.984 8.322 -1.445 1.00 0.00 C ATOM 768 CD GLU A 53 -3.567 7.767 -0.160 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.284 6.746 -0.227 1.00 0.00 O ATOM 770 OE2 GLU A 53 -3.309 8.353 0.912 1.00 0.00 O ATOM 0 H GLU A 53 -3.158 7.936 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.858 8.639 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.137 6.660 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.783 6.567 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.236 9.078 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.771 8.821 -2.011 1.00 0.00 H new ATOM 777 N GLU A 54 0.651 6.580 -3.091 1.00 0.00 N ATOM 778 CA GLU A 54 1.670 5.587 -3.408 1.00 0.00 C ATOM 779 C GLU A 54 2.491 5.235 -2.170 1.00 0.00 C ATOM 780 O GLU A 54 2.886 6.113 -1.404 1.00 0.00 O ATOM 781 CB GLU A 54 2.592 6.104 -4.515 1.00 0.00 C ATOM 782 CG GLU A 54 1.858 6.481 -5.790 1.00 0.00 C ATOM 783 CD GLU A 54 2.789 7.016 -6.862 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.007 6.755 -6.775 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.298 7.694 -7.789 1.00 0.00 O ATOM 0 H GLU A 54 0.851 7.140 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 54 1.166 4.686 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.135 6.975 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.334 5.339 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.332 5.607 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.103 7.233 -5.561 1.00 0.00 H new ATOM 792 N GLY A 55 2.744 3.943 -1.982 1.00 0.00 N ATOM 793 CA GLY A 55 3.515 3.498 -0.836 1.00 0.00 C ATOM 794 C GLY A 55 3.448 1.996 -0.641 1.00 0.00 C ATOM 795 O GLY A 55 3.119 1.257 -1.569 1.00 0.00 O ATOM 0 H GLY A 55 2.429 3.197 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.555 3.799 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.146 3.995 0.061 1.00 0.00 H new ATOM 799 N TRP A 56 3.761 1.544 0.568 1.00 0.00 N ATOM 800 CA TRP A 56 3.736 0.120 0.882 1.00 0.00 C ATOM 801 C TRP A 56 2.493 -0.238 1.688 1.00 0.00 C ATOM 802 O TRP A 56 1.829 0.637 2.246 1.00 0.00 O ATOM 803 CB TRP A 56 4.993 -0.274 1.658 1.00 0.00 C ATOM 804 CG TRP A 56 5.081 0.364 3.011 1.00 0.00 C ATOM 805 CD1 TRP A 56 4.339 0.050 4.114 1.00 0.00 C ATOM 806 CD2 TRP A 56 5.958 1.425 3.403 1.00 0.00 C ATOM 807 NE1 TRP A 56 4.703 0.853 5.169 1.00 0.00 N ATOM 808 CE2 TRP A 56 5.695 1.704 4.758 1.00 0.00 C ATOM 809 CE3 TRP A 56 6.942 2.165 2.742 1.00 0.00 C ATOM 810 CZ2 TRP A 56 6.379 2.692 5.461 1.00 0.00 C ATOM 811 CZ3 TRP A 56 7.620 3.146 3.441 1.00 0.00 C ATOM 812 CH2 TRP A 56 7.337 3.402 4.789 1.00 0.00 C ATOM 0 H TRP A 56 4.035 2.143 1.347 1.00 0.00 H new ATOM 0 HA TRP A 56 3.709 -0.433 -0.057 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.015 -1.358 1.773 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.872 0.003 1.076 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.579 -0.716 4.152 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.300 0.820 6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.169 1.974 1.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.161 2.891 6.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.381 3.725 2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.885 4.174 5.308 1.00 0.00 H new ATOM 823 N PHE A 57 2.182 -1.529 1.747 1.00 0.00 N ATOM 824 CA PHE A 57 1.017 -2.002 2.485 1.00 0.00 C ATOM 825 C PHE A 57 1.088 -3.510 2.706 1.00 0.00 C ATOM 826 O PHE A 57 1.663 -4.253 1.910 1.00 0.00 O ATOM 827 CB PHE A 57 -0.269 -1.645 1.735 1.00 0.00 C ATOM 828 CG PHE A 57 -0.596 -2.598 0.621 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.375 -3.719 0.857 1.00 0.00 C ATOM 830 CD2 PHE A 57 -0.124 -2.373 -0.662 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.679 -4.598 -0.166 1.00 0.00 C ATOM 832 CE2 PHE A 57 -0.425 -3.248 -1.689 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.202 -4.362 -1.440 1.00 0.00 C ATOM 0 H PHE A 57 2.721 -2.266 1.292 1.00 0.00 H new ATOM 0 HA PHE A 57 1.011 -1.510 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.099 -1.626 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.175 -0.639 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.749 -3.909 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.486 -1.504 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.288 -5.468 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.053 -3.060 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.436 -5.048 -2.241 1.00 0.00 H new ATOM 843 N PRO A 58 0.492 -3.974 3.814 1.00 0.00 N ATOM 844 CA PRO A 58 0.474 -5.397 4.167 1.00 0.00 C ATOM 845 C PRO A 58 -0.409 -6.215 3.231 1.00 0.00 C ATOM 846 O PRO A 58 -1.557 -5.855 2.973 1.00 0.00 O ATOM 847 CB PRO A 58 -0.102 -5.403 5.586 1.00 0.00 C ATOM 848 CG PRO A 58 -0.914 -4.157 5.671 1.00 0.00 C ATOM 849 CD PRO A 58 -0.212 -3.145 4.808 1.00 0.00 C ATOM 0 HA PRO A 58 1.463 -5.848 4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.715 -6.287 5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.690 -5.411 6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.932 -4.330 5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.987 -3.808 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.917 -2.462 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.482 -2.536 5.387 1.00 0.00 H new ATOM 857 N ALA A 59 0.135 -7.317 2.726 1.00 0.00 N ATOM 858 CA ALA A 59 -0.605 -8.188 1.820 1.00 0.00 C ATOM 859 C ALA A 59 -1.724 -8.919 2.553 1.00 0.00 C ATOM 860 O ALA A 59 -2.588 -9.536 1.930 1.00 0.00 O ATOM 861 CB ALA A 59 0.337 -9.185 1.160 1.00 0.00 C ATOM 0 H ALA A 59 1.085 -7.628 2.928 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.058 -7.567 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.228 -9.829 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.098 -8.647 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.817 -9.794 1.926 1.00 0.00 H new ATOM 867 N SER A 60 -1.701 -8.848 3.880 1.00 0.00 N ATOM 868 CA SER A 60 -2.712 -9.507 4.699 1.00 0.00 C ATOM 869 C SER A 60 -3.872 -8.562 4.997 1.00 0.00 C ATOM 870 O SER A 60 -4.641 -8.780 5.933 1.00 0.00 O ATOM 871 CB SER A 60 -2.094 -10.003 6.008 1.00 0.00 C ATOM 872 OG SER A 60 -1.483 -11.270 5.835 1.00 0.00 O ATOM 0 H SER A 60 -0.993 -8.341 4.411 1.00 0.00 H new ATOM 0 HA SER A 60 -3.097 -10.360 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.354 -9.284 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.865 -10.069 6.776 1.00 0.00 H new ATOM 0 HG SER A 60 -1.094 -11.564 6.685 1.00 0.00 H new ATOM 878 N PHE A 61 -3.990 -7.510 4.193 1.00 0.00 N ATOM 879 CA PHE A 61 -5.055 -6.529 4.370 1.00 0.00 C ATOM 880 C PHE A 61 -5.891 -6.399 3.100 1.00 0.00 C ATOM 881 O PHE A 61 -6.820 -5.594 3.035 1.00 0.00 O ATOM 882 CB PHE A 61 -4.466 -5.169 4.749 1.00 0.00 C ATOM 883 CG PHE A 61 -4.313 -4.973 6.230 1.00 0.00 C ATOM 884 CD1 PHE A 61 -3.341 -5.663 6.937 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.141 -4.099 6.917 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.199 -5.486 8.300 1.00 0.00 C ATOM 887 CE2 PHE A 61 -5.003 -3.917 8.280 1.00 0.00 C ATOM 888 CZ PHE A 61 -4.030 -4.611 8.972 1.00 0.00 C ATOM 0 H PHE A 61 -3.362 -7.315 3.413 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.703 -6.874 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.491 -5.059 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.106 -4.381 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.687 -6.347 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.903 -3.554 6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.439 -6.031 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.655 -3.233 8.803 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.919 -4.470 10.037 1.00 0.00 H new ATOM 898 N VAL A 62 -5.552 -7.195 2.092 1.00 0.00 N ATOM 899 CA VAL A 62 -6.270 -7.170 0.823 1.00 0.00 C ATOM 900 C VAL A 62 -6.444 -8.577 0.262 1.00 0.00 C ATOM 901 O VAL A 62 -5.586 -9.440 0.446 1.00 0.00 O ATOM 902 CB VAL A 62 -5.540 -6.301 -0.218 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.182 -4.946 0.374 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.298 -7.014 -0.730 1.00 0.00 C ATOM 0 H VAL A 62 -4.784 -7.866 2.129 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.250 -6.738 1.023 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.210 -6.136 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.667 -4.346 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.092 -4.434 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.530 -5.086 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.795 -6.386 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.623 -7.211 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.586 -7.957 -1.195 1.00 0.00 H new ATOM 914 N ARG A 63 -7.561 -8.801 -0.423 1.00 0.00 N ATOM 915 CA ARG A 63 -7.848 -10.104 -1.011 1.00 0.00 C ATOM 916 C ARG A 63 -7.713 -10.057 -2.530 1.00 0.00 C ATOM 917 O ARG A 63 -8.361 -9.249 -3.197 1.00 0.00 O ATOM 918 CB ARG A 63 -9.257 -10.561 -0.627 1.00 0.00 C ATOM 919 CG ARG A 63 -9.494 -10.610 0.873 1.00 0.00 C ATOM 920 CD ARG A 63 -8.728 -11.754 1.521 1.00 0.00 C ATOM 921 NE ARG A 63 -9.253 -12.085 2.843 1.00 0.00 N ATOM 922 CZ ARG A 63 -10.383 -12.756 3.038 1.00 0.00 C ATOM 923 NH1 ARG A 63 -11.102 -13.166 2.003 1.00 0.00 N ATOM 924 NH2 ARG A 63 -10.795 -13.018 4.272 1.00 0.00 N ATOM 0 H ARG A 63 -8.282 -8.097 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.123 -10.818 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.984 -9.887 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.436 -11.551 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.188 -9.665 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.560 -10.726 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.780 -12.634 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.676 -11.483 1.606 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.723 -11.785 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.788 -12.967 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.969 -13.681 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.244 -12.704 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.663 -13.533 4.421 1.00 0.00 H new ATOM 938 N LEU A 64 -6.868 -10.927 -3.071 1.00 0.00 N ATOM 939 CA LEU A 64 -6.647 -10.985 -4.512 1.00 0.00 C ATOM 940 C LEU A 64 -7.962 -11.196 -5.256 1.00 0.00 C ATOM 941 O LEU A 64 -8.947 -11.655 -4.678 1.00 0.00 O ATOM 942 CB LEU A 64 -5.668 -12.109 -4.853 1.00 0.00 C ATOM 943 CG LEU A 64 -4.194 -11.829 -4.557 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.655 -10.759 -5.494 1.00 0.00 C ATOM 945 CD2 LEU A 64 -4.013 -11.410 -3.105 1.00 0.00 C ATOM 0 H LEU A 64 -6.324 -11.602 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.221 -10.033 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.965 -13.002 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.767 -12.341 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.629 -12.746 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.605 -10.573 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.750 -11.097 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.223 -9.838 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.958 -11.215 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.591 -10.506 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.360 -12.209 -2.450 1.00 0.00 H new ATOM 957 N TRP A 65 -7.968 -10.861 -6.541 1.00 0.00 N ATOM 958 CA TRP A 65 -9.162 -11.017 -7.365 1.00 0.00 C ATOM 959 C TRP A 65 -9.178 -12.380 -8.048 1.00 0.00 C ATOM 960 O TRP A 65 -8.640 -12.542 -9.144 1.00 0.00 O ATOM 961 CB TRP A 65 -9.230 -9.906 -8.414 1.00 0.00 C ATOM 962 CG TRP A 65 -9.688 -8.591 -7.859 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.344 -8.384 -6.679 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.526 -7.303 -8.462 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.599 -7.044 -6.512 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.107 -6.360 -7.591 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.945 -6.854 -9.651 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.123 -4.997 -7.875 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.963 -5.501 -9.931 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.547 -4.585 -9.046 1.00 0.00 C ATOM 0 H TRP A 65 -7.161 -10.480 -7.035 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.034 -10.948 -6.715 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.245 -9.779 -8.863 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.907 -10.211 -9.212 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.621 -9.159 -5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.077 -6.627 -5.714 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.490 -7.552 -10.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.574 -4.290 -7.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -8.519 -5.143 -10.848 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -9.542 -3.534 -9.293 1.00 0.00 H new