USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 Set 1.1: A 36 ASN : amide:sc= -0.344 K(o=-0.56,f=-16!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 20 THR OG1 : rot -42:sc= -2.22! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.541 USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.512 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 26:sc= 0.959 USER MOD Single : A 43 MET CE :methyl -160:sc= -2.2! (180deg=-4.45!) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00203) USER MOD Single : A 61 GLN : amide:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.645 -10.344 -6.065 1.00 0.00 N ATOM 121 CA PRO A 11 -6.794 -9.901 -5.270 1.00 0.00 C ATOM 122 C PRO A 11 -7.971 -10.865 -5.364 1.00 0.00 C ATOM 123 O PRO A 11 -8.185 -11.501 -6.396 1.00 0.00 O ATOM 124 CB PRO A 11 -7.157 -8.551 -5.893 1.00 0.00 C ATOM 125 CG PRO A 11 -6.654 -8.632 -7.293 1.00 0.00 C ATOM 126 CD PRO A 11 -5.417 -9.485 -7.239 1.00 0.00 C ATOM 0 HA PRO A 11 -6.557 -9.846 -4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.233 -8.380 -5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.691 -7.727 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.403 -9.071 -7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.428 -7.640 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.294 -10.073 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.517 -8.881 -7.126 1.00 0.00 H new ATOM 134 N VAL A 12 -8.733 -10.969 -4.280 1.00 0.00 N ATOM 135 CA VAL A 12 -9.891 -11.855 -4.241 1.00 0.00 C ATOM 136 C VAL A 12 -11.173 -11.099 -4.570 1.00 0.00 C ATOM 137 O VAL A 12 -12.145 -11.683 -5.048 1.00 0.00 O ATOM 138 CB VAL A 12 -10.041 -12.521 -2.860 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.742 -13.198 -2.450 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.472 -11.499 -1.820 1.00 0.00 C ATOM 0 H VAL A 12 -8.569 -10.451 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.725 -12.627 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.815 -13.285 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.867 -13.663 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.482 -13.961 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.945 -12.456 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.573 -11.987 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.723 -10.710 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.430 -11.066 -2.110 1.00 0.00 H new ATOM 150 N ALA A 13 -11.167 -9.795 -4.312 1.00 0.00 N ATOM 151 CA ALA A 13 -12.329 -8.958 -4.584 1.00 0.00 C ATOM 152 C ALA A 13 -11.938 -7.486 -4.669 1.00 0.00 C ATOM 153 O ALA A 13 -10.912 -7.073 -4.127 1.00 0.00 O ATOM 154 CB ALA A 13 -13.389 -9.162 -3.512 1.00 0.00 C ATOM 0 H ALA A 13 -10.371 -9.296 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.741 -9.254 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.251 -8.531 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.698 -10.207 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.978 -8.895 -2.538 1.00 0.00 H new ATOM 160 N THR A 14 -12.761 -6.698 -5.354 1.00 0.00 N ATOM 161 CA THR A 14 -12.499 -5.273 -5.513 1.00 0.00 C ATOM 162 C THR A 14 -13.799 -4.484 -5.612 1.00 0.00 C ATOM 163 O THR A 14 -14.658 -4.786 -6.440 1.00 0.00 O ATOM 164 CB THR A 14 -11.645 -4.994 -6.764 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.451 -5.784 -6.728 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.281 -3.520 -6.853 1.00 0.00 C ATOM 0 H THR A 14 -13.615 -7.023 -5.808 1.00 0.00 H new ATOM 0 HA THR A 14 -11.948 -4.952 -4.629 1.00 0.00 H new ATOM 0 HB THR A 14 -12.231 -5.261 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.914 -5.602 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.678 -3.347 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.191 -2.923 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.712 -3.232 -5.969 1.00 0.00 H new ATOM 174 N ALA A 15 -13.937 -3.470 -4.764 1.00 0.00 N ATOM 175 CA ALA A 15 -15.131 -2.635 -4.759 1.00 0.00 C ATOM 176 C ALA A 15 -14.766 -1.154 -4.741 1.00 0.00 C ATOM 177 O ALA A 15 -13.932 -0.705 -3.955 1.00 0.00 O ATOM 178 CB ALA A 15 -16.010 -2.978 -3.566 1.00 0.00 C ATOM 0 H ALA A 15 -13.236 -3.207 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.687 -2.834 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.898 -2.346 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.308 -4.025 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.454 -2.809 -2.644 1.00 0.00 H new ATOM 184 N PRO A 16 -15.403 -0.376 -5.629 1.00 0.00 N ATOM 185 CA PRO A 16 -15.161 1.066 -5.734 1.00 0.00 C ATOM 186 C PRO A 16 -15.696 1.833 -4.530 1.00 0.00 C ATOM 187 O PRO A 16 -16.854 1.672 -4.144 1.00 0.00 O ATOM 188 CB PRO A 16 -15.923 1.462 -7.002 1.00 0.00 C ATOM 189 CG PRO A 16 -16.992 0.433 -7.138 1.00 0.00 C ATOM 190 CD PRO A 16 -16.410 -0.843 -6.597 1.00 0.00 C ATOM 0 HA PRO A 16 -14.097 1.299 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.346 2.463 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.267 1.469 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.884 0.721 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.290 0.315 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.171 -1.461 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.960 -1.445 -7.386 1.00 0.00 H new ATOM 198 N ILE A 17 -14.846 2.668 -3.941 1.00 0.00 N ATOM 199 CA ILE A 17 -15.235 3.461 -2.781 1.00 0.00 C ATOM 200 C ILE A 17 -16.146 4.615 -3.185 1.00 0.00 C ATOM 201 O ILE A 17 -15.883 5.340 -4.145 1.00 0.00 O ATOM 202 CB ILE A 17 -14.004 4.026 -2.048 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.164 2.888 -1.465 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.436 4.987 -0.951 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.267 3.320 -0.326 1.00 0.00 C ATOM 0 H ILE A 17 -13.884 2.813 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.774 2.794 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.393 4.574 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.829 2.100 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.550 2.458 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.555 5.378 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.997 5.812 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.066 4.461 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.702 2.462 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.577 4.087 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.875 3.723 0.484 1.00 0.00 H new ATOM 217 N PRO A 18 -17.244 4.792 -2.435 1.00 0.00 N ATOM 218 CA PRO A 18 -18.215 5.859 -2.694 1.00 0.00 C ATOM 219 C PRO A 18 -17.656 7.242 -2.377 1.00 0.00 C ATOM 220 O PRO A 18 -17.232 7.508 -1.254 1.00 0.00 O ATOM 221 CB PRO A 18 -19.372 5.521 -1.750 1.00 0.00 C ATOM 222 CG PRO A 18 -18.746 4.739 -0.647 1.00 0.00 C ATOM 223 CD PRO A 18 -17.620 3.966 -1.276 1.00 0.00 C ATOM 0 HA PRO A 18 -18.502 5.903 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.851 6.424 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.142 4.941 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.376 5.399 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.470 4.068 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.786 3.838 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.938 2.969 -1.580 1.00 0.00 H new ATOM 231 N GLY A 19 -17.660 8.119 -3.376 1.00 0.00 N ATOM 232 CA GLY A 19 -17.151 9.465 -3.183 1.00 0.00 C ATOM 233 C GLY A 19 -15.730 9.624 -3.686 1.00 0.00 C ATOM 234 O GLY A 19 -15.436 10.534 -4.462 1.00 0.00 O ATOM 0 H GLY A 19 -18.006 7.922 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.798 10.173 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.188 9.716 -2.123 1.00 0.00 H new ATOM 238 N THR A 20 -14.844 8.739 -3.241 1.00 0.00 N ATOM 239 CA THR A 20 -13.445 8.787 -3.648 1.00 0.00 C ATOM 240 C THR A 20 -13.174 7.827 -4.800 1.00 0.00 C ATOM 241 O THR A 20 -13.799 6.772 -4.922 1.00 0.00 O ATOM 242 CB THR A 20 -12.507 8.442 -2.476 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.259 7.032 -2.445 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.111 8.884 -1.151 1.00 0.00 C ATOM 0 H THR A 20 -15.070 7.980 -2.598 1.00 0.00 H new ATOM 0 HA THR A 20 -13.246 9.808 -3.975 1.00 0.00 H new ATOM 0 HB THR A 20 -11.567 8.973 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.094 6.549 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.431 8.630 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.272 9.962 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.064 8.377 -0.998 1.00 0.00 H new ATOM 252 N PRO A 21 -12.221 8.196 -5.668 1.00 0.00 N ATOM 253 CA PRO A 21 -11.845 7.380 -6.826 1.00 0.00 C ATOM 254 C PRO A 21 -11.119 6.101 -6.423 1.00 0.00 C ATOM 255 O PRO A 21 -10.747 5.293 -7.274 1.00 0.00 O ATOM 256 CB PRO A 21 -10.911 8.298 -7.619 1.00 0.00 C ATOM 257 CG PRO A 21 -10.350 9.235 -6.605 1.00 0.00 C ATOM 258 CD PRO A 21 -11.436 9.440 -5.585 1.00 0.00 C ATOM 0 HA PRO A 21 -12.716 7.046 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.122 7.730 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.452 8.835 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.454 8.820 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.063 10.181 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.026 9.591 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.044 10.315 -5.815 1.00 0.00 H new ATOM 266 N TRP A 22 -10.920 5.925 -5.122 1.00 0.00 N ATOM 267 CA TRP A 22 -10.238 4.743 -4.607 1.00 0.00 C ATOM 268 C TRP A 22 -11.137 3.515 -4.695 1.00 0.00 C ATOM 269 O TRP A 22 -12.362 3.632 -4.739 1.00 0.00 O ATOM 270 CB TRP A 22 -9.805 4.970 -3.157 1.00 0.00 C ATOM 271 CG TRP A 22 -8.659 5.927 -3.023 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.735 7.270 -2.788 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.265 5.613 -3.119 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.473 7.810 -2.731 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.554 6.814 -2.931 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.549 4.435 -3.344 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.163 6.868 -2.961 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.168 4.490 -3.374 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.487 5.699 -3.183 1.00 0.00 C ATOM 0 H TRP A 22 -11.221 6.585 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.354 4.568 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.654 5.348 -2.587 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.524 4.014 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.653 7.826 -2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.256 8.793 -2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.065 3.498 -3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.636 7.799 -2.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.604 3.585 -3.548 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.407 5.709 -3.211 1.00 0.00 H new ATOM 290 N CYS A 23 -10.522 2.338 -4.720 1.00 0.00 N ATOM 291 CA CYS A 23 -11.267 1.087 -4.803 1.00 0.00 C ATOM 292 C CYS A 23 -10.678 0.039 -3.864 1.00 0.00 C ATOM 293 O CYS A 23 -9.541 -0.399 -4.041 1.00 0.00 O ATOM 294 CB CYS A 23 -11.265 0.562 -6.239 1.00 0.00 C ATOM 295 SG CYS A 23 -11.939 1.722 -7.451 1.00 0.00 S ATOM 0 H CYS A 23 -9.509 2.224 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.295 1.284 -4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.242 0.312 -6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.841 -0.362 -6.277 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.892 1.188 -8.635 1.00 0.00 H new ATOM 301 N VAL A 24 -11.459 -0.358 -2.864 1.00 0.00 N ATOM 302 CA VAL A 24 -11.014 -1.354 -1.897 1.00 0.00 C ATOM 303 C VAL A 24 -10.769 -2.701 -2.568 1.00 0.00 C ATOM 304 O VAL A 24 -11.609 -3.193 -3.322 1.00 0.00 O ATOM 305 CB VAL A 24 -12.043 -1.536 -0.765 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.566 -2.585 0.228 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.307 -0.210 -0.068 1.00 0.00 C ATOM 0 H VAL A 24 -12.402 -0.005 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.079 -0.988 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.979 -1.884 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.306 -2.699 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.433 -3.538 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.616 -2.271 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.036 -0.357 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.377 0.170 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.697 0.509 -0.789 1.00 0.00 H new ATOM 317 N VAL A 25 -9.613 -3.295 -2.288 1.00 0.00 N ATOM 318 CA VAL A 25 -9.258 -4.586 -2.863 1.00 0.00 C ATOM 319 C VAL A 25 -8.807 -5.563 -1.782 1.00 0.00 C ATOM 320 O VAL A 25 -7.865 -5.291 -1.039 1.00 0.00 O ATOM 321 CB VAL A 25 -8.138 -4.445 -3.911 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.846 -5.787 -4.564 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.515 -3.405 -4.955 1.00 0.00 C ATOM 0 H VAL A 25 -8.907 -2.902 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.153 -4.973 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.232 -4.109 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.052 -5.668 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.530 -6.501 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.746 -6.156 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.713 -3.318 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.433 -3.710 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.669 -2.441 -4.469 1.00 0.00 H new ATOM 333 N TRP A 26 -9.487 -6.702 -1.702 1.00 0.00 N ATOM 334 CA TRP A 26 -9.156 -7.721 -0.712 1.00 0.00 C ATOM 335 C TRP A 26 -8.280 -8.809 -1.323 1.00 0.00 C ATOM 336 O TRP A 26 -8.192 -8.937 -2.545 1.00 0.00 O ATOM 337 CB TRP A 26 -10.433 -8.338 -0.140 1.00 0.00 C ATOM 338 CG TRP A 26 -11.219 -7.391 0.715 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.122 -7.236 2.069 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.222 -6.470 0.275 1.00 0.00 C ATOM 341 NE1 TRP A 26 -12.005 -6.274 2.496 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.691 -5.788 1.415 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.769 -6.154 -0.972 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.681 -4.812 1.343 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.751 -5.184 -1.041 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.198 -4.522 0.110 1.00 0.00 C ATOM 0 H TRP A 26 -10.270 -6.943 -2.310 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.599 -7.243 0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.062 -8.681 -0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -10.171 -9.216 0.450 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.450 -7.788 2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.129 -5.971 3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.431 -6.659 -1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.029 -4.302 2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.181 -4.932 -1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.966 -3.768 0.022 1.00 0.00 H new ATOM 357 N THR A 27 -7.632 -9.593 -0.466 1.00 0.00 N ATOM 358 CA THR A 27 -6.762 -10.669 -0.922 1.00 0.00 C ATOM 359 C THR A 27 -7.055 -11.966 -0.175 1.00 0.00 C ATOM 360 O THR A 27 -7.949 -12.020 0.668 1.00 0.00 O ATOM 361 CB THR A 27 -5.277 -10.307 -0.737 1.00 0.00 C ATOM 362 OG1 THR A 27 -5.038 -9.890 0.611 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.866 -9.200 -1.696 1.00 0.00 C ATOM 0 H THR A 27 -7.694 -9.502 0.548 1.00 0.00 H new ATOM 0 HA THR A 27 -6.964 -10.811 -1.984 1.00 0.00 H new ATOM 0 HB THR A 27 -4.681 -11.193 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.811 -9.384 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.813 -8.961 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.021 -9.532 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.469 -8.312 -1.507 1.00 0.00 H new ATOM 371 N GLY A 28 -6.293 -13.010 -0.490 1.00 0.00 N ATOM 372 CA GLY A 28 -6.486 -14.292 0.161 1.00 0.00 C ATOM 373 C GLY A 28 -5.798 -14.367 1.509 1.00 0.00 C ATOM 374 O GLY A 28 -6.117 -15.227 2.330 1.00 0.00 O ATOM 0 H GLY A 28 -5.546 -12.990 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.553 -14.473 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.104 -15.084 -0.483 1.00 0.00 H new ATOM 378 N ASP A 29 -4.851 -13.465 1.739 1.00 0.00 N ATOM 379 CA ASP A 29 -4.115 -13.432 2.997 1.00 0.00 C ATOM 380 C ASP A 29 -4.775 -12.479 3.989 1.00 0.00 C ATOM 381 O ASP A 29 -4.101 -11.679 4.637 1.00 0.00 O ATOM 382 CB ASP A 29 -2.665 -13.011 2.754 1.00 0.00 C ATOM 383 CG ASP A 29 -1.708 -13.617 3.762 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.950 -13.462 4.977 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.719 -14.248 3.335 1.00 0.00 O ATOM 0 H ASP A 29 -4.575 -12.746 1.070 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.127 -14.436 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.367 -13.310 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.593 -11.924 2.798 1.00 0.00 H new ATOM 390 N GLU A 30 -6.096 -12.571 4.100 1.00 0.00 N ATOM 391 CA GLU A 30 -6.847 -11.715 5.011 1.00 0.00 C ATOM 392 C GLU A 30 -6.290 -10.294 5.005 1.00 0.00 C ATOM 393 O GLU A 30 -6.143 -9.670 6.056 1.00 0.00 O ATOM 394 CB GLU A 30 -6.807 -12.285 6.431 1.00 0.00 C ATOM 395 CG GLU A 30 -7.842 -13.369 6.680 1.00 0.00 C ATOM 396 CD GLU A 30 -7.785 -13.915 8.094 1.00 0.00 C ATOM 397 OE1 GLU A 30 -6.690 -13.895 8.694 1.00 0.00 O ATOM 398 OE2 GLU A 30 -8.836 -14.361 8.601 1.00 0.00 O ATOM 0 H GLU A 30 -6.668 -13.229 3.571 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.882 -11.683 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.814 -12.691 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.963 -11.475 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.837 -12.967 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.687 -14.184 5.973 1.00 0.00 H new ATOM 405 N ARG A 31 -5.982 -9.790 3.815 1.00 0.00 N ATOM 406 CA ARG A 31 -5.440 -8.445 3.672 1.00 0.00 C ATOM 407 C ARG A 31 -6.232 -7.646 2.641 1.00 0.00 C ATOM 408 O ARG A 31 -6.910 -8.216 1.785 1.00 0.00 O ATOM 409 CB ARG A 31 -3.967 -8.506 3.264 1.00 0.00 C ATOM 410 CG ARG A 31 -3.010 -8.550 4.443 1.00 0.00 C ATOM 411 CD ARG A 31 -2.660 -7.152 4.929 1.00 0.00 C ATOM 412 NE ARG A 31 -2.065 -7.169 6.263 1.00 0.00 N ATOM 413 CZ ARG A 31 -0.797 -7.487 6.498 1.00 0.00 C ATOM 414 NH1 ARG A 31 0.005 -7.812 5.494 1.00 0.00 N ATOM 415 NH2 ARG A 31 -0.329 -7.480 7.739 1.00 0.00 N ATOM 0 H ARG A 31 -6.099 -10.293 2.936 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.522 -7.943 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.807 -9.388 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.733 -7.637 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.460 -9.117 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.099 -9.075 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.966 -6.688 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.560 -6.537 4.941 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.656 -6.923 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.351 -7.818 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.978 -8.056 5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.943 -7.230 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.645 -7.724 7.918 1.00 0.00 H new ATOM 429 N VAL A 32 -6.142 -6.323 2.728 1.00 0.00 N ATOM 430 CA VAL A 32 -6.850 -5.446 1.803 1.00 0.00 C ATOM 431 C VAL A 32 -6.064 -4.164 1.551 1.00 0.00 C ATOM 432 O VAL A 32 -5.492 -3.582 2.473 1.00 0.00 O ATOM 433 CB VAL A 32 -8.249 -5.081 2.334 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.150 -4.466 3.721 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.953 -4.136 1.372 1.00 0.00 C ATOM 0 H VAL A 32 -5.586 -5.835 3.430 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.957 -5.994 0.867 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.840 -5.994 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.148 -4.215 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.688 -5.180 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.542 -3.562 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.940 -3.888 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.366 -3.224 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.058 -4.618 0.400 1.00 0.00 H new ATOM 445 N PHE A 33 -6.040 -3.728 0.296 1.00 0.00 N ATOM 446 CA PHE A 33 -5.323 -2.514 -0.078 1.00 0.00 C ATOM 447 C PHE A 33 -6.223 -1.576 -0.877 1.00 0.00 C ATOM 448 O PHE A 33 -7.301 -1.964 -1.326 1.00 0.00 O ATOM 449 CB PHE A 33 -4.078 -2.863 -0.895 1.00 0.00 C ATOM 450 CG PHE A 33 -4.387 -3.529 -2.206 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.603 -4.896 -2.270 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.462 -2.787 -3.374 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.889 -5.511 -3.474 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.748 -3.397 -4.581 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.961 -4.761 -4.631 1.00 0.00 C ATOM 0 H PHE A 33 -6.509 -4.197 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.018 -2.005 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.511 -1.952 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.439 -3.520 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.547 -5.488 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.295 -1.720 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.056 -6.577 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.805 -2.808 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.183 -5.240 -5.573 1.00 0.00 H new ATOM 465 N PHE A 34 -5.772 -0.338 -1.050 1.00 0.00 N ATOM 466 CA PHE A 34 -6.535 0.657 -1.793 1.00 0.00 C ATOM 467 C PHE A 34 -5.934 0.882 -3.177 1.00 0.00 C ATOM 468 O PHE A 34 -4.728 1.085 -3.317 1.00 0.00 O ATOM 469 CB PHE A 34 -6.578 1.979 -1.022 1.00 0.00 C ATOM 470 CG PHE A 34 -6.910 1.813 0.433 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.971 1.311 1.319 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.162 2.161 0.915 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.274 1.157 2.658 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.471 2.009 2.254 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.526 1.508 3.127 1.00 0.00 C ATOM 0 H PHE A 34 -4.881 -0.000 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.551 0.282 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.611 2.474 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.316 2.635 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.990 1.037 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.905 2.555 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.533 0.763 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.451 2.282 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.764 1.391 4.174 1.00 0.00 H new ATOM 485 N TYR A 35 -6.783 0.845 -4.198 1.00 0.00 N ATOM 486 CA TYR A 35 -6.337 1.041 -5.572 1.00 0.00 C ATOM 487 C TYR A 35 -7.001 2.267 -6.191 1.00 0.00 C ATOM 488 O TYR A 35 -8.075 2.688 -5.762 1.00 0.00 O ATOM 489 CB TYR A 35 -6.645 -0.199 -6.413 1.00 0.00 C ATOM 490 CG TYR A 35 -6.395 -0.005 -7.891 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.125 0.295 -8.367 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.429 -0.122 -8.812 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.892 0.473 -9.717 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.205 0.053 -10.164 1.00 0.00 C ATOM 495 CZ TYR A 35 -5.935 0.351 -10.612 1.00 0.00 C ATOM 496 OH TYR A 35 -5.708 0.528 -11.957 1.00 0.00 O ATOM 0 H TYR A 35 -7.785 0.681 -4.100 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.259 1.203 -5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.037 -1.030 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.688 -0.480 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.306 0.391 -7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.425 -0.354 -8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.898 0.706 -10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.020 -0.043 -10.866 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.547 0.407 -12.449 1.00 0.00 H new ATOM 506 N ASN A 36 -6.354 2.835 -7.203 1.00 0.00 N ATOM 507 CA ASN A 36 -6.881 4.013 -7.883 1.00 0.00 C ATOM 508 C ASN A 36 -6.782 3.857 -9.397 1.00 0.00 C ATOM 509 O ASN A 36 -5.738 4.098 -10.004 1.00 0.00 O ATOM 510 CB ASN A 36 -6.124 5.266 -7.438 1.00 0.00 C ATOM 511 CG ASN A 36 -6.800 6.543 -7.895 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.037 6.741 -9.087 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.114 7.419 -6.947 1.00 0.00 N ATOM 0 H ASN A 36 -5.464 2.499 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.932 4.117 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.042 5.271 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.109 5.234 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.570 8.297 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.899 7.214 -5.971 1.00 0.00 H new ATOM 520 N PRO A 37 -7.894 3.445 -10.023 1.00 0.00 N ATOM 521 CA PRO A 37 -7.959 3.248 -11.475 1.00 0.00 C ATOM 522 C PRO A 37 -7.898 4.565 -12.241 1.00 0.00 C ATOM 523 O PRO A 37 -7.904 4.580 -13.472 1.00 0.00 O ATOM 524 CB PRO A 37 -9.317 2.572 -11.681 1.00 0.00 C ATOM 525 CG PRO A 37 -10.135 3.001 -10.511 1.00 0.00 C ATOM 526 CD PRO A 37 -9.175 3.139 -9.363 1.00 0.00 C ATOM 0 HA PRO A 37 -7.117 2.664 -11.845 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.775 2.883 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.218 1.487 -11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.640 3.946 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.909 2.267 -10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.476 3.935 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.116 2.222 -8.776 1.00 0.00 H new ATOM 534 N THR A 38 -7.839 5.671 -11.505 1.00 0.00 N ATOM 535 CA THR A 38 -7.777 6.993 -12.116 1.00 0.00 C ATOM 536 C THR A 38 -6.341 7.496 -12.193 1.00 0.00 C ATOM 537 O THR A 38 -5.966 8.197 -13.134 1.00 0.00 O ATOM 538 CB THR A 38 -8.626 8.013 -11.333 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.949 7.502 -11.136 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.694 9.340 -12.073 1.00 0.00 C ATOM 0 H THR A 38 -7.833 5.677 -10.485 1.00 0.00 H new ATOM 0 HA THR A 38 -8.179 6.895 -13.125 1.00 0.00 H new ATOM 0 HB THR A 38 -8.154 8.178 -10.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.481 8.156 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.298 10.045 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.688 9.741 -12.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.145 9.187 -13.054 1.00 0.00 H new ATOM 548 N THR A 39 -5.538 7.135 -11.197 1.00 0.00 N ATOM 549 CA THR A 39 -4.141 7.551 -11.151 1.00 0.00 C ATOM 550 C THR A 39 -3.209 6.345 -11.140 1.00 0.00 C ATOM 551 O THR A 39 -2.024 6.468 -10.829 1.00 0.00 O ATOM 552 CB THR A 39 -3.854 8.420 -9.912 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.077 7.660 -8.719 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.736 9.659 -9.903 1.00 0.00 C ATOM 0 H THR A 39 -5.831 6.555 -10.411 1.00 0.00 H new ATOM 0 HA THR A 39 -3.957 8.141 -12.049 1.00 0.00 H new ATOM 0 HB THR A 39 -2.812 8.737 -9.951 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.891 8.219 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.515 10.257 -9.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.542 10.250 -10.798 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.784 9.360 -9.886 1.00 0.00 H new ATOM 562 N ARG A 40 -3.750 5.181 -11.483 1.00 0.00 N ATOM 563 CA ARG A 40 -2.966 3.952 -11.512 1.00 0.00 C ATOM 564 C ARG A 40 -2.098 3.832 -10.263 1.00 0.00 C ATOM 565 O ARG A 40 -0.976 3.327 -10.320 1.00 0.00 O ATOM 566 CB ARG A 40 -2.086 3.913 -12.763 1.00 0.00 C ATOM 567 CG ARG A 40 -2.875 3.869 -14.061 1.00 0.00 C ATOM 568 CD ARG A 40 -2.029 3.343 -15.210 1.00 0.00 C ATOM 569 NE ARG A 40 -1.713 1.926 -15.053 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.557 0.947 -15.355 1.00 0.00 C ATOM 571 NH1 ARG A 40 -3.763 1.229 -15.830 1.00 0.00 N ATOM 572 NH2 ARG A 40 -2.196 -0.319 -15.185 1.00 0.00 N ATOM 0 H ARG A 40 -4.729 5.063 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.657 3.110 -11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.440 4.791 -12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.436 3.039 -12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.752 3.235 -13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.237 4.869 -14.302 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.560 3.494 -16.150 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.104 3.916 -15.271 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.793 1.675 -14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.044 2.200 -15.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.409 0.475 -16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.269 -0.541 -14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.846 -1.070 -15.417 1.00 0.00 H new ATOM 586 N LEU A 41 -2.624 4.299 -9.136 1.00 0.00 N ATOM 587 CA LEU A 41 -1.898 4.245 -7.872 1.00 0.00 C ATOM 588 C LEU A 41 -2.377 3.075 -7.019 1.00 0.00 C ATOM 589 O LEU A 41 -3.577 2.824 -6.909 1.00 0.00 O ATOM 590 CB LEU A 41 -2.072 5.556 -7.104 1.00 0.00 C ATOM 591 CG LEU A 41 -0.911 5.960 -6.194 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.910 5.119 -4.927 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.415 5.824 -6.928 1.00 0.00 C ATOM 0 H LEU A 41 -3.551 4.719 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.841 4.100 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.238 6.357 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.974 5.481 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.041 7.005 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.077 5.420 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.848 5.267 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.804 4.066 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.229 6.116 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.554 4.789 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.413 6.470 -7.806 1.00 0.00 H new ATOM 605 N SER A 42 -1.431 2.364 -6.413 1.00 0.00 N ATOM 606 CA SER A 42 -1.756 1.219 -5.570 1.00 0.00 C ATOM 607 C SER A 42 -0.880 1.198 -4.321 1.00 0.00 C ATOM 608 O SER A 42 0.305 0.874 -4.387 1.00 0.00 O ATOM 609 CB SER A 42 -1.580 -0.084 -6.352 1.00 0.00 C ATOM 610 OG SER A 42 -0.227 -0.275 -6.726 1.00 0.00 O ATOM 0 H SER A 42 -0.433 2.561 -6.490 1.00 0.00 H new ATOM 0 HA SER A 42 -2.797 1.311 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.915 -0.925 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.208 -0.065 -7.243 1.00 0.00 H new ATOM 0 HG SER A 42 0.356 0.196 -6.095 1.00 0.00 H new ATOM 616 N MET A 43 -1.474 1.547 -3.184 1.00 0.00 N ATOM 617 CA MET A 43 -0.749 1.567 -1.919 1.00 0.00 C ATOM 618 C MET A 43 -1.163 0.395 -1.036 1.00 0.00 C ATOM 619 O MET A 43 -2.237 -0.179 -1.215 1.00 0.00 O ATOM 620 CB MET A 43 -0.997 2.886 -1.185 1.00 0.00 C ATOM 621 CG MET A 43 -0.946 4.105 -2.092 1.00 0.00 C ATOM 622 SD MET A 43 -0.414 5.594 -1.225 1.00 0.00 S ATOM 623 CE MET A 43 -1.089 5.295 0.406 1.00 0.00 C ATOM 0 H MET A 43 -2.454 1.819 -3.113 1.00 0.00 H new ATOM 0 HA MET A 43 0.315 1.476 -2.138 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.972 2.845 -0.700 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.253 2.999 -0.396 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.265 3.909 -2.920 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.933 4.273 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.164 6.238 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.080 4.850 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.435 4.615 0.951 1.00 0.00 H new ATOM 633 N TRP A 44 -0.306 0.044 -0.085 1.00 0.00 N ATOM 634 CA TRP A 44 -0.584 -1.061 0.826 1.00 0.00 C ATOM 635 C TRP A 44 -1.269 -0.562 2.093 1.00 0.00 C ATOM 636 O TRP A 44 -1.785 -1.353 2.883 1.00 0.00 O ATOM 637 CB TRP A 44 0.712 -1.791 1.185 1.00 0.00 C ATOM 638 CG TRP A 44 1.038 -2.917 0.252 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.089 -2.982 -0.618 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.306 -4.137 0.093 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.055 -4.170 -1.307 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.972 -4.897 -0.889 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.845 -4.663 0.686 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.522 -6.152 -1.290 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.290 -5.909 0.287 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.607 -6.643 -0.693 1.00 0.00 C ATOM 0 H TRP A 44 0.588 0.508 0.076 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.256 -1.755 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.535 -1.077 1.182 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.632 -2.181 2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.836 -2.213 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.728 -4.463 -2.015 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.377 -4.106 1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.046 -6.718 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.179 -6.324 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.979 -7.615 -0.982 1.00 0.00 H new ATOM 657 N ASP A 45 -1.272 0.753 2.281 1.00 0.00 N ATOM 658 CA ASP A 45 -1.896 1.356 3.453 1.00 0.00 C ATOM 659 C ASP A 45 -2.952 2.378 3.041 1.00 0.00 C ATOM 660 O ASP A 45 -3.038 2.759 1.873 1.00 0.00 O ATOM 661 CB ASP A 45 -0.839 2.024 4.333 1.00 0.00 C ATOM 662 CG ASP A 45 -0.115 1.032 5.222 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.738 0.024 5.617 1.00 0.00 O ATOM 664 OD2 ASP A 45 1.075 1.263 5.522 1.00 0.00 O ATOM 0 H ASP A 45 -0.849 1.422 1.637 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.384 0.565 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.114 2.536 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.314 2.784 4.953 1.00 0.00 H new ATOM 669 N ARG A 46 -3.753 2.816 4.006 1.00 0.00 N ATOM 670 CA ARG A 46 -4.804 3.791 3.743 1.00 0.00 C ATOM 671 C ARG A 46 -4.219 5.191 3.579 1.00 0.00 C ATOM 672 O ARG A 46 -3.709 5.792 4.524 1.00 0.00 O ATOM 673 CB ARG A 46 -5.830 3.786 4.878 1.00 0.00 C ATOM 674 CG ARG A 46 -7.140 4.467 4.518 1.00 0.00 C ATOM 675 CD ARG A 46 -7.127 5.939 4.900 1.00 0.00 C ATOM 676 NE ARG A 46 -7.372 6.136 6.326 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.586 6.186 6.863 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.659 6.052 6.097 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.727 6.368 8.170 1.00 0.00 N ATOM 0 H ARG A 46 -3.694 2.511 4.978 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.299 3.511 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.034 2.755 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.399 4.282 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.320 4.370 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.964 3.965 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.164 6.374 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.886 6.470 4.325 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.567 6.241 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.554 5.910 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.590 6.091 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.903 6.470 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.659 6.406 8.582 1.00 0.00 H new ATOM 693 N PRO A 47 -4.292 5.722 2.349 1.00 0.00 N ATOM 694 CA PRO A 47 -3.774 7.056 2.032 1.00 0.00 C ATOM 695 C PRO A 47 -4.604 8.167 2.668 1.00 0.00 C ATOM 696 O PRO A 47 -5.757 7.955 3.045 1.00 0.00 O ATOM 697 CB PRO A 47 -3.874 7.122 0.506 1.00 0.00 C ATOM 698 CG PRO A 47 -4.961 6.165 0.156 1.00 0.00 C ATOM 699 CD PRO A 47 -4.886 5.062 1.175 1.00 0.00 C ATOM 0 HA PRO A 47 -2.764 7.202 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.111 8.131 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.932 6.841 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.935 6.654 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.827 5.774 -0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.872 4.654 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.270 4.233 0.826 1.00 0.00 H new ATOM 707 N ASP A 48 -4.011 9.350 2.784 1.00 0.00 N ATOM 708 CA ASP A 48 -4.697 10.494 3.373 1.00 0.00 C ATOM 709 C ASP A 48 -5.986 10.803 2.618 1.00 0.00 C ATOM 710 O ASP A 48 -7.040 10.998 3.224 1.00 0.00 O ATOM 711 CB ASP A 48 -3.783 11.720 3.369 1.00 0.00 C ATOM 712 CG ASP A 48 -2.870 11.759 2.159 1.00 0.00 C ATOM 713 OD1 ASP A 48 -1.843 11.049 2.167 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.185 12.498 1.203 1.00 0.00 O ATOM 0 H ASP A 48 -3.057 9.542 2.478 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.952 10.243 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.392 12.624 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.179 11.722 4.276 1.00 0.00 H new ATOM 719 N ASP A 49 -5.894 10.847 1.294 1.00 0.00 N ATOM 720 CA ASP A 49 -7.053 11.132 0.456 1.00 0.00 C ATOM 721 C ASP A 49 -8.308 10.477 1.023 1.00 0.00 C ATOM 722 O ASP A 49 -9.422 10.959 0.813 1.00 0.00 O ATOM 723 CB ASP A 49 -6.808 10.643 -0.973 1.00 0.00 C ATOM 724 CG ASP A 49 -5.844 11.532 -1.732 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.771 12.738 -1.414 1.00 0.00 O ATOM 726 OD2 ASP A 49 -5.161 11.022 -2.645 1.00 0.00 O ATOM 0 H ASP A 49 -5.029 10.689 0.777 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.204 12.211 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.414 9.627 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.757 10.602 -1.507 1.00 0.00 H new ATOM 731 N LEU A 50 -8.121 9.375 1.742 1.00 0.00 N ATOM 732 CA LEU A 50 -9.239 8.653 2.339 1.00 0.00 C ATOM 733 C LEU A 50 -9.315 8.913 3.840 1.00 0.00 C ATOM 734 O LEU A 50 -10.395 8.879 4.431 1.00 0.00 O ATOM 735 CB LEU A 50 -9.100 7.152 2.077 1.00 0.00 C ATOM 736 CG LEU A 50 -9.290 6.704 0.627 1.00 0.00 C ATOM 737 CD1 LEU A 50 -8.966 5.225 0.479 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.711 6.989 0.163 1.00 0.00 C ATOM 0 H LEU A 50 -7.206 8.963 1.925 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.159 9.013 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.111 6.836 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.826 6.626 2.697 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.603 7.271 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.107 4.924 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.931 5.048 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.628 4.642 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.828 6.664 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.415 6.449 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.908 8.059 0.232 1.00 0.00 H new ATOM 750 N ILE A 51 -8.164 9.175 4.449 1.00 0.00 N ATOM 751 CA ILE A 51 -8.102 9.445 5.881 1.00 0.00 C ATOM 752 C ILE A 51 -9.156 10.467 6.294 1.00 0.00 C ATOM 753 O ILE A 51 -9.160 11.599 5.813 1.00 0.00 O ATOM 754 CB ILE A 51 -6.712 9.962 6.296 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.676 8.840 6.195 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.756 10.523 7.710 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.281 9.269 6.592 1.00 0.00 C ATOM 0 H ILE A 51 -7.262 9.206 3.974 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.296 8.500 6.389 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.421 10.763 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.987 8.011 6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.655 8.467 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.766 10.884 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.468 11.347 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.065 9.740 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.599 8.424 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.950 10.078 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.287 9.615 7.626 1.00 0.00 H new ATOM 769 N GLY A 52 -10.048 10.059 7.191 1.00 0.00 N ATOM 770 CA GLY A 52 -11.094 10.951 7.655 1.00 0.00 C ATOM 771 C GLY A 52 -12.474 10.508 7.210 1.00 0.00 C ATOM 772 O GLY A 52 -13.468 10.782 7.883 1.00 0.00 O ATOM 0 H GLY A 52 -10.065 9.127 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.066 11.003 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.901 11.957 7.282 1.00 0.00 H new ATOM 776 N ARG A 53 -12.536 9.823 6.073 1.00 0.00 N ATOM 777 CA ARG A 53 -13.805 9.345 5.538 1.00 0.00 C ATOM 778 C ARG A 53 -14.257 8.078 6.260 1.00 0.00 C ATOM 779 O ARG A 53 -13.444 7.210 6.578 1.00 0.00 O ATOM 780 CB ARG A 53 -13.679 9.072 4.038 1.00 0.00 C ATOM 781 CG ARG A 53 -13.250 10.287 3.232 1.00 0.00 C ATOM 782 CD ARG A 53 -13.812 10.245 1.819 1.00 0.00 C ATOM 783 NE ARG A 53 -14.004 11.583 1.267 1.00 0.00 N ATOM 784 CZ ARG A 53 -14.851 11.857 0.281 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.581 10.890 -0.258 1.00 0.00 N ATOM 786 NH2 ARG A 53 -14.969 13.100 -0.168 1.00 0.00 N ATOM 0 H ARG A 53 -11.723 9.587 5.505 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.554 10.121 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.957 8.270 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.637 8.716 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.588 11.195 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.162 10.332 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.136 9.681 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.764 9.714 1.823 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.458 12.349 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.493 9.933 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.231 11.103 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.409 13.846 0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.620 13.309 -0.925 1.00 0.00 H new ATOM 800 N ALA A 54 -15.557 7.981 6.516 1.00 0.00 N ATOM 801 CA ALA A 54 -16.117 6.822 7.198 1.00 0.00 C ATOM 802 C ALA A 54 -16.442 5.707 6.210 1.00 0.00 C ATOM 803 O ALA A 54 -16.237 4.528 6.500 1.00 0.00 O ATOM 804 CB ALA A 54 -17.362 7.218 7.978 1.00 0.00 C ATOM 0 H ALA A 54 -16.242 8.692 6.261 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.369 6.447 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.769 6.342 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.102 7.975 8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.108 7.622 7.293 1.00 0.00 H new ATOM 810 N ASP A 55 -16.950 6.087 5.043 1.00 0.00 N ATOM 811 CA ASP A 55 -17.303 5.119 4.011 1.00 0.00 C ATOM 812 C ASP A 55 -16.164 4.131 3.779 1.00 0.00 C ATOM 813 O ASP A 55 -16.366 2.917 3.801 1.00 0.00 O ATOM 814 CB ASP A 55 -17.647 5.836 2.705 1.00 0.00 C ATOM 815 CG ASP A 55 -16.822 7.091 2.499 1.00 0.00 C ATOM 816 OD1 ASP A 55 -15.692 6.980 1.979 1.00 0.00 O ATOM 817 OD2 ASP A 55 -17.306 8.184 2.858 1.00 0.00 O ATOM 0 H ASP A 55 -17.127 7.059 4.788 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.177 4.564 4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.486 5.157 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.705 6.096 2.705 1.00 0.00 H new ATOM 822 N VAL A 56 -14.965 4.660 3.556 1.00 0.00 N ATOM 823 CA VAL A 56 -13.793 3.826 3.320 1.00 0.00 C ATOM 824 C VAL A 56 -13.669 2.739 4.382 1.00 0.00 C ATOM 825 O VAL A 56 -13.436 1.572 4.066 1.00 0.00 O ATOM 826 CB VAL A 56 -12.501 4.664 3.307 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.397 5.506 4.570 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.284 3.765 3.154 1.00 0.00 C ATOM 0 H VAL A 56 -14.780 5.663 3.534 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.927 3.362 2.343 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.535 5.339 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.478 6.091 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.253 6.178 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.386 4.853 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.380 4.374 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.242 3.064 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.356 3.212 2.218 1.00 0.00 H new ATOM 838 N ASP A 57 -13.827 3.130 5.642 1.00 0.00 N ATOM 839 CA ASP A 57 -13.735 2.188 6.752 1.00 0.00 C ATOM 840 C ASP A 57 -14.827 1.127 6.656 1.00 0.00 C ATOM 841 O ASP A 57 -14.541 -0.062 6.512 1.00 0.00 O ATOM 842 CB ASP A 57 -13.841 2.928 8.086 1.00 0.00 C ATOM 843 CG ASP A 57 -12.494 3.402 8.594 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.898 4.292 7.952 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.035 2.882 9.633 1.00 0.00 O ATOM 0 H ASP A 57 -14.019 4.092 5.920 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.766 1.692 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.505 3.785 7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.295 2.271 8.828 1.00 0.00 H new ATOM 850 N LYS A 58 -16.079 1.564 6.737 1.00 0.00 N ATOM 851 CA LYS A 58 -17.215 0.653 6.660 1.00 0.00 C ATOM 852 C LYS A 58 -16.958 -0.450 5.639 1.00 0.00 C ATOM 853 O LYS A 58 -17.063 -1.636 5.954 1.00 0.00 O ATOM 854 CB LYS A 58 -18.486 1.421 6.289 1.00 0.00 C ATOM 855 CG LYS A 58 -19.718 0.539 6.177 1.00 0.00 C ATOM 856 CD LYS A 58 -20.793 1.188 5.322 1.00 0.00 C ATOM 857 CE LYS A 58 -21.963 0.246 5.087 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.748 0.015 6.331 1.00 0.00 N ATOM 0 H LYS A 58 -16.333 2.545 6.856 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.349 0.193 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.667 2.191 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.328 1.932 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.440 -0.423 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.115 0.339 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.148 2.096 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.367 1.486 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.615 0.661 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.592 -0.707 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.546 -0.619 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.137 -0.420 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.110 0.923 6.687 1.00 0.00 H new ATOM 872 N ILE A 59 -16.621 -0.053 4.417 1.00 0.00 N ATOM 873 CA ILE A 59 -16.347 -1.009 3.351 1.00 0.00 C ATOM 874 C ILE A 59 -15.369 -2.083 3.815 1.00 0.00 C ATOM 875 O ILE A 59 -15.651 -3.278 3.715 1.00 0.00 O ATOM 876 CB ILE A 59 -15.774 -0.313 2.103 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.765 0.724 1.570 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.443 -1.338 1.029 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.110 1.839 0.786 1.00 0.00 C ATOM 0 H ILE A 59 -16.531 0.925 4.140 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.298 -1.474 3.092 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.854 0.201 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.495 0.224 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.314 1.154 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.039 -0.830 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.705 -2.042 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.348 -1.878 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.872 2.537 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.401 2.365 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.584 1.420 -0.072 1.00 0.00 H new ATOM 891 N ILE A 60 -14.220 -1.650 4.322 1.00 0.00 N ATOM 892 CA ILE A 60 -13.202 -2.575 4.804 1.00 0.00 C ATOM 893 C ILE A 60 -13.753 -3.475 5.905 1.00 0.00 C ATOM 894 O ILE A 60 -13.466 -4.671 5.943 1.00 0.00 O ATOM 895 CB ILE A 60 -11.968 -1.824 5.339 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.239 -1.116 4.196 1.00 0.00 C ATOM 897 CG2 ILE A 60 -11.032 -2.786 6.055 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.402 0.060 4.649 1.00 0.00 C ATOM 0 H ILE A 60 -13.971 -0.665 4.410 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.904 -3.188 3.953 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.301 -1.071 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.596 -1.834 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.972 -0.770 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.165 -2.241 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.556 -3.249 6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.704 -3.559 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.914 0.513 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.042 0.797 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.645 -0.282 5.355 1.00 0.00 H new ATOM 910 N GLN A 61 -14.545 -2.890 6.798 1.00 0.00 N ATOM 911 CA GLN A 61 -15.138 -3.640 7.899 1.00 0.00 C ATOM 912 C GLN A 61 -16.026 -4.764 7.377 1.00 0.00 C ATOM 913 O GLN A 61 -15.838 -5.929 7.726 1.00 0.00 O ATOM 914 CB GLN A 61 -15.950 -2.708 8.800 1.00 0.00 C ATOM 915 CG GLN A 61 -15.120 -1.614 9.450 1.00 0.00 C ATOM 916 CD GLN A 61 -15.773 -1.047 10.695 1.00 0.00 C ATOM 917 OE1 GLN A 61 -15.211 -1.109 11.789 1.00 0.00 O ATOM 918 NE2 GLN A 61 -16.968 -0.491 10.536 1.00 0.00 N ATOM 0 H GLN A 61 -14.791 -1.900 6.781 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.329 -4.082 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.744 -2.249 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.432 -3.299 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.139 -2.013 9.709 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.958 -0.811 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.398 -0.461 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.457 -0.094 11.338 1.00 0.00 H new ATOM 927 N GLU A 62 -16.994 -4.407 6.539 1.00 0.00 N ATOM 928 CA GLU A 62 -17.912 -5.386 5.970 1.00 0.00 C ATOM 929 C GLU A 62 -17.671 -5.552 4.473 1.00 0.00 C ATOM 930 O GLU A 62 -18.303 -4.899 3.641 1.00 0.00 O ATOM 931 CB GLU A 62 -19.362 -4.966 6.222 1.00 0.00 C ATOM 932 CG GLU A 62 -20.378 -5.800 5.460 1.00 0.00 C ATOM 933 CD GLU A 62 -21.735 -5.826 6.135 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.957 -6.710 6.989 1.00 0.00 O ATOM 935 OE2 GLU A 62 -22.576 -4.961 5.810 1.00 0.00 O ATOM 0 H GLU A 62 -17.163 -3.447 6.239 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.729 -6.344 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.572 -5.038 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.482 -3.919 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.486 -5.402 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.005 -6.820 5.362 1.00 0.00 H new ATOM 942 N PRO A 63 -16.736 -6.446 4.119 1.00 0.00 N ATOM 943 CA PRO A 63 -16.389 -6.718 2.721 1.00 0.00 C ATOM 944 C PRO A 63 -17.505 -7.447 1.979 1.00 0.00 C ATOM 945 O PRO A 63 -18.373 -8.080 2.580 1.00 0.00 O ATOM 946 CB PRO A 63 -15.149 -7.609 2.831 1.00 0.00 C ATOM 947 CG PRO A 63 -15.268 -8.262 4.164 1.00 0.00 C ATOM 948 CD PRO A 63 -15.944 -7.259 5.058 1.00 0.00 C ATOM 0 HA PRO A 63 -16.223 -5.801 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.120 -8.347 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.233 -7.023 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.851 -9.181 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.287 -8.534 4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.576 -7.745 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.220 -6.653 5.602 1.00 0.00 H new ATOM 956 N PRO A 64 -17.483 -7.357 0.641 1.00 0.00 N ATOM 957 CA PRO A 64 -18.486 -8.002 -0.212 1.00 0.00 C ATOM 958 C PRO A 64 -18.354 -9.521 -0.214 1.00 0.00 C ATOM 959 O PRO A 64 -19.349 -10.241 -0.129 1.00 0.00 O ATOM 960 CB PRO A 64 -18.185 -7.437 -1.602 1.00 0.00 C ATOM 961 CG PRO A 64 -16.744 -7.061 -1.555 1.00 0.00 C ATOM 962 CD PRO A 64 -16.478 -6.619 -0.142 1.00 0.00 C ATOM 0 HA PRO A 64 -19.501 -7.806 0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.376 -8.177 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.812 -6.573 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.111 -7.906 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.526 -6.261 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.464 -6.865 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.593 -5.541 -0.030 1.00 0.00 H new ATOM 970 N HIS A 65 -17.119 -10.003 -0.311 1.00 0.00 N ATOM 971 CA HIS A 65 -16.857 -11.438 -0.323 1.00 0.00 C ATOM 972 C HIS A 65 -17.427 -12.105 0.926 1.00 0.00 C ATOM 973 O HIS A 65 -17.521 -13.330 1.001 1.00 0.00 O ATOM 974 CB HIS A 65 -15.354 -11.703 -0.416 1.00 0.00 C ATOM 975 CG HIS A 65 -14.542 -10.886 0.542 1.00 0.00 C ATOM 976 ND1 HIS A 65 -14.542 -11.102 1.904 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.698 -9.850 0.327 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.735 -10.233 2.485 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.210 -9.462 1.550 1.00 0.00 N ATOM 0 H HIS A 65 -16.284 -9.421 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.348 -11.865 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.167 -12.760 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -15.019 -11.496 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.454 -9.410 -0.629 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.538 -10.164 3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.549 -8.702 1.711 1.00 0.00 H new