USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 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 18 SER OG : rot 180:sc= -3.02! USER MOD Set 1.2: A 19 HIS : no HD1:sc= -6.73! C(o=-9.7!,f=-4.4!) USER MOD Single : A 13 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.4) USER MOD Single : A 14 SER OG : rot 33:sc= 0.338 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0078) USER MOD Single : A 30 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.5!) USER MOD Single : A 36 GLN : amide:sc= -2.65! C(o=-2.7!,f=-3.1!) USER MOD Single : A 37 SER OG : rot 154:sc= 0.164 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0.591! (180deg=0.359) USER MOD Single : A 44 GLN : amide:sc=-0.00814 K(o=-0.0081,f=-4.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 ASN : amide:sc= -4.53! C(o=-4.5!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -0.754 -2.891 18.436 1.00 0.00 N ATOM 98 CA LEU A 8 0.554 -3.417 18.924 1.00 0.00 C ATOM 99 C LEU A 8 0.324 -4.473 20.007 1.00 0.00 C ATOM 100 O LEU A 8 -0.675 -4.458 20.699 1.00 0.00 O ATOM 101 CB LEU A 8 1.277 -2.200 19.505 1.00 0.00 C ATOM 102 CG LEU A 8 2.683 -2.609 19.950 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.637 -2.536 18.757 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.165 -1.658 21.048 1.00 0.00 C ATOM 0 HA LEU A 8 1.132 -3.894 18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.336 -1.408 18.759 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.718 -1.800 20.351 1.00 0.00 H new ATOM 0 HG LEU A 8 2.661 -3.629 20.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.639 -2.827 19.074 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.293 -3.212 17.974 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.660 -1.517 18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.166 -1.948 21.366 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.187 -0.639 20.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.485 -1.709 21.898 1.00 0.00 H new ATOM 116 N VAL A 9 1.239 -5.392 20.162 1.00 0.00 N ATOM 117 CA VAL A 9 1.064 -6.447 21.203 1.00 0.00 C ATOM 118 C VAL A 9 2.425 -6.954 21.685 1.00 0.00 C ATOM 119 O VAL A 9 3.457 -6.612 21.143 1.00 0.00 O ATOM 120 CB VAL A 9 0.298 -7.573 20.509 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.174 -7.185 20.372 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.894 -7.818 19.120 1.00 0.00 C ATOM 0 H VAL A 9 2.097 -5.458 19.615 1.00 0.00 H new ATOM 0 HA VAL A 9 0.535 -6.069 22.078 1.00 0.00 H new ATOM 0 HB VAL A 9 0.378 -8.483 21.104 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.718 -7.990 19.877 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.599 -7.015 21.361 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.256 -6.273 19.780 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.347 -8.621 18.626 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.817 -6.908 18.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.942 -8.100 19.218 1.00 0.00 H new ATOM 132 N ILE A 10 2.429 -7.778 22.696 1.00 0.00 N ATOM 133 CA ILE A 10 3.716 -8.322 23.215 1.00 0.00 C ATOM 134 C ILE A 10 3.705 -9.848 23.110 1.00 0.00 C ATOM 135 O ILE A 10 2.701 -10.487 23.350 1.00 0.00 O ATOM 136 CB ILE A 10 3.773 -7.880 24.678 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.566 -6.366 24.762 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.138 -8.241 25.266 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.266 -5.971 26.210 1.00 0.00 C ATOM 0 H ILE A 10 1.594 -8.099 23.187 1.00 0.00 H new ATOM 0 HA ILE A 10 4.581 -7.966 22.655 1.00 0.00 H new ATOM 0 HB ILE A 10 2.989 -8.386 25.241 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.457 -5.846 24.409 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.743 -6.064 24.114 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.180 -7.926 26.309 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.286 -9.319 25.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.922 -7.735 24.703 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.119 -4.893 26.270 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.363 -6.480 26.546 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.103 -6.259 26.846 1.00 0.00 H new ATOM 151 N ALA A 11 4.810 -10.438 22.745 1.00 0.00 N ATOM 152 CA ALA A 11 4.846 -11.921 22.619 1.00 0.00 C ATOM 153 C ALA A 11 4.866 -12.572 24.004 1.00 0.00 C ATOM 154 O ALA A 11 5.812 -12.435 24.751 1.00 0.00 O ATOM 155 CB ALA A 11 6.141 -12.224 21.865 1.00 0.00 C ATOM 0 H ALA A 11 5.685 -9.960 22.530 1.00 0.00 H new ATOM 0 HA ALA A 11 3.971 -12.311 22.099 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.241 -13.301 21.732 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.116 -11.738 20.889 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.991 -11.849 22.436 1.00 0.00 H new ATOM 161 N LEU A 12 3.833 -13.291 24.346 1.00 0.00 N ATOM 162 CA LEU A 12 3.804 -13.959 25.677 1.00 0.00 C ATOM 163 C LEU A 12 4.805 -15.116 25.683 1.00 0.00 C ATOM 164 O LEU A 12 5.255 -15.561 26.720 1.00 0.00 O ATOM 165 CB LEU A 12 2.375 -14.480 25.828 1.00 0.00 C ATOM 166 CG LEU A 12 2.160 -14.974 27.260 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.136 -13.776 28.213 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.828 -15.721 27.347 1.00 0.00 C ATOM 0 H LEU A 12 3.010 -13.445 23.763 1.00 0.00 H new ATOM 0 HA LEU A 12 4.074 -13.289 26.494 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.662 -13.690 25.594 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.196 -15.291 25.122 1.00 0.00 H new ATOM 0 HG LEU A 12 2.972 -15.646 27.539 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.983 -14.126 29.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.084 -13.243 28.151 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.323 -13.105 27.934 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.674 -16.073 28.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.016 -15.050 27.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.844 -16.573 26.667 1.00 0.00 H new ATOM 180 N HIS A 13 5.155 -15.599 24.523 1.00 0.00 N ATOM 181 CA HIS A 13 6.129 -16.723 24.437 1.00 0.00 C ATOM 182 C HIS A 13 6.832 -16.695 23.077 1.00 0.00 C ATOM 183 O HIS A 13 6.796 -15.707 22.372 1.00 0.00 O ATOM 184 CB HIS A 13 5.282 -17.987 24.578 1.00 0.00 C ATOM 185 CG HIS A 13 4.892 -18.171 26.020 1.00 0.00 C ATOM 186 ND1 HIS A 13 5.834 -18.289 27.030 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.669 -18.257 26.635 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.167 -18.439 28.189 1.00 0.00 C ATOM 189 NE2 HIS A 13 3.844 -18.427 28.005 1.00 0.00 N ATOM 0 H HIS A 13 4.806 -15.261 23.626 1.00 0.00 H new ATOM 0 HA HIS A 13 6.904 -16.667 25.201 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.390 -17.911 23.956 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.842 -18.854 24.228 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.715 -18.201 26.132 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.644 -18.555 29.151 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.118 -18.522 28.716 1.00 0.00 H new ATOM 197 N SER A 14 7.466 -17.770 22.698 1.00 0.00 N ATOM 198 CA SER A 14 8.161 -17.798 21.379 1.00 0.00 C ATOM 199 C SER A 14 7.374 -18.670 20.398 1.00 0.00 C ATOM 200 O SER A 14 6.922 -19.745 20.737 1.00 0.00 O ATOM 201 CB SER A 14 9.531 -18.413 21.666 1.00 0.00 C ATOM 202 OG SER A 14 10.321 -18.381 20.485 1.00 0.00 O ATOM 0 H SER A 14 7.533 -18.629 23.243 1.00 0.00 H new ATOM 0 HA SER A 14 8.248 -16.808 20.931 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.029 -17.862 22.464 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.415 -19.440 22.011 1.00 0.00 H new ATOM 0 HG SER A 14 10.094 -17.584 19.961 1.00 0.00 H new ATOM 208 N TYR A 15 7.201 -18.220 19.183 1.00 0.00 N ATOM 209 CA TYR A 15 6.437 -19.038 18.198 1.00 0.00 C ATOM 210 C TYR A 15 7.395 -19.841 17.314 1.00 0.00 C ATOM 211 O TYR A 15 8.520 -19.444 17.077 1.00 0.00 O ATOM 212 CB TYR A 15 5.652 -18.027 17.363 1.00 0.00 C ATOM 213 CG TYR A 15 4.874 -18.760 16.298 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.617 -19.293 16.598 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.408 -18.907 15.013 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.891 -19.974 15.614 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.684 -19.589 14.028 1.00 0.00 C ATOM 218 CZ TYR A 15 3.425 -20.123 14.329 1.00 0.00 C ATOM 219 OH TYR A 15 2.710 -20.795 13.358 1.00 0.00 O ATOM 0 H TYR A 15 7.553 -17.329 18.833 1.00 0.00 H new ATOM 0 HA TYR A 15 5.780 -19.759 18.685 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.974 -17.460 18.000 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.333 -17.310 16.904 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.206 -19.179 17.590 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.379 -18.494 14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.919 -20.384 15.846 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.096 -19.703 13.036 1.00 0.00 H new ATOM 0 HH TYR A 15 3.223 -20.807 12.523 1.00 0.00 H new ATOM 229 N GLU A 16 6.956 -20.969 16.825 1.00 0.00 N ATOM 230 CA GLU A 16 7.838 -21.801 15.956 1.00 0.00 C ATOM 231 C GLU A 16 7.237 -21.921 14.553 1.00 0.00 C ATOM 232 O GLU A 16 6.309 -22.675 14.337 1.00 0.00 O ATOM 233 CB GLU A 16 7.886 -23.169 16.636 1.00 0.00 C ATOM 234 CG GLU A 16 8.513 -23.029 18.025 1.00 0.00 C ATOM 235 CD GLU A 16 7.410 -22.819 19.064 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.892 -23.807 19.557 1.00 0.00 O ATOM 237 OE2 GLU A 16 7.102 -21.673 19.347 1.00 0.00 O ATOM 0 H GLU A 16 6.025 -21.351 16.990 1.00 0.00 H new ATOM 0 HA GLU A 16 8.831 -21.367 15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.880 -23.580 16.720 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.467 -23.867 16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.090 -23.922 18.267 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.206 -22.188 18.040 1.00 0.00 H new ATOM 244 N PRO A 17 7.791 -21.166 13.644 1.00 0.00 N ATOM 245 CA PRO A 17 7.275 -21.214 12.250 1.00 0.00 C ATOM 246 C PRO A 17 7.474 -22.611 11.656 1.00 0.00 C ATOM 247 O PRO A 17 8.546 -22.954 11.196 1.00 0.00 O ATOM 248 CB PRO A 17 8.118 -20.183 11.508 1.00 0.00 C ATOM 249 CG PRO A 17 9.383 -20.089 12.296 1.00 0.00 C ATOM 250 CD PRO A 17 9.022 -20.367 13.730 1.00 0.00 C ATOM 0 HA PRO A 17 6.208 -21.003 12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.313 -20.495 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.611 -19.220 11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.118 -20.809 11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.830 -19.100 12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.815 -20.912 14.242 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.859 -19.444 14.286 1.00 0.00 H new ATOM 258 N SER A 18 6.450 -23.419 11.660 1.00 0.00 N ATOM 259 CA SER A 18 6.579 -24.793 11.095 1.00 0.00 C ATOM 260 C SER A 18 6.444 -24.751 9.570 1.00 0.00 C ATOM 261 O SER A 18 6.383 -25.772 8.914 1.00 0.00 O ATOM 262 CB SER A 18 5.430 -25.586 11.715 1.00 0.00 C ATOM 263 OG SER A 18 4.192 -25.043 11.280 1.00 0.00 O ATOM 0 H SER A 18 5.528 -23.187 12.030 1.00 0.00 H new ATOM 0 HA SER A 18 7.547 -25.242 11.315 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.501 -26.635 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.494 -25.549 12.803 1.00 0.00 H new ATOM 0 HG SER A 18 3.454 -25.552 11.676 1.00 0.00 H new ATOM 269 N HIS A 19 6.396 -23.577 9.002 1.00 0.00 N ATOM 270 CA HIS A 19 6.264 -23.469 7.521 1.00 0.00 C ATOM 271 C HIS A 19 6.850 -22.141 7.035 1.00 0.00 C ATOM 272 O HIS A 19 7.374 -21.363 7.807 1.00 0.00 O ATOM 273 CB HIS A 19 4.759 -23.524 7.252 1.00 0.00 C ATOM 274 CG HIS A 19 4.205 -24.822 7.772 1.00 0.00 C ATOM 275 ND1 HIS A 19 4.484 -26.038 7.169 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.388 -25.110 8.837 1.00 0.00 C ATOM 277 CE1 HIS A 19 3.846 -26.994 7.870 1.00 0.00 C ATOM 278 NE2 HIS A 19 3.162 -26.482 8.896 1.00 0.00 N ATOM 0 H HIS A 19 6.442 -22.688 9.499 1.00 0.00 H new ATOM 0 HA HIS A 19 6.799 -24.262 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.261 -22.684 7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.566 -23.436 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.982 -24.383 9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.883 -28.047 7.632 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.595 -26.988 9.577 1.00 0.00 H new ATOM 286 N ASP A 20 6.767 -21.873 5.759 1.00 0.00 N ATOM 287 CA ASP A 20 7.320 -20.595 5.229 1.00 0.00 C ATOM 288 C ASP A 20 6.260 -19.493 5.292 1.00 0.00 C ATOM 289 O ASP A 20 5.138 -19.673 4.862 1.00 0.00 O ATOM 290 CB ASP A 20 7.695 -20.897 3.778 1.00 0.00 C ATOM 291 CG ASP A 20 8.437 -19.699 3.183 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.647 -19.644 3.326 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.782 -18.856 2.591 1.00 0.00 O ATOM 0 H ASP A 20 6.340 -22.484 5.062 1.00 0.00 H new ATOM 0 HA ASP A 20 8.176 -20.245 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.323 -21.787 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.798 -21.109 3.196 1.00 0.00 H new ATOM 298 N GLY A 21 6.605 -18.352 5.825 1.00 0.00 N ATOM 299 CA GLY A 21 5.616 -17.241 5.915 1.00 0.00 C ATOM 300 C GLY A 21 5.125 -17.110 7.358 1.00 0.00 C ATOM 301 O GLY A 21 4.147 -16.443 7.634 1.00 0.00 O ATOM 0 H GLY A 21 7.529 -18.142 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.072 -16.306 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.775 -17.434 5.250 1.00 0.00 H new ATOM 305 N ASP A 22 5.795 -17.741 8.283 1.00 0.00 N ATOM 306 CA ASP A 22 5.365 -17.653 9.707 1.00 0.00 C ATOM 307 C ASP A 22 6.361 -16.814 10.515 1.00 0.00 C ATOM 308 O ASP A 22 7.498 -16.639 10.126 1.00 0.00 O ATOM 309 CB ASP A 22 5.354 -19.098 10.205 1.00 0.00 C ATOM 310 CG ASP A 22 4.178 -19.847 9.575 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.401 -19.212 8.882 1.00 0.00 O ATOM 312 OD2 ASP A 22 4.075 -21.042 9.798 1.00 0.00 O ATOM 0 H ASP A 22 6.622 -18.314 8.114 1.00 0.00 H new ATOM 0 HA ASP A 22 4.391 -17.175 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.292 -19.590 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.272 -19.119 11.292 1.00 0.00 H new ATOM 317 N LEU A 23 5.941 -16.297 11.638 1.00 0.00 N ATOM 318 CA LEU A 23 6.863 -15.472 12.472 1.00 0.00 C ATOM 319 C LEU A 23 7.124 -16.164 13.813 1.00 0.00 C ATOM 320 O LEU A 23 6.217 -16.412 14.581 1.00 0.00 O ATOM 321 CB LEU A 23 6.127 -14.149 12.686 1.00 0.00 C ATOM 322 CG LEU A 23 7.124 -13.080 13.140 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.227 -12.934 12.091 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.398 -11.744 13.308 1.00 0.00 C ATOM 0 H LEU A 23 5.000 -16.410 12.014 1.00 0.00 H new ATOM 0 HA LEU A 23 7.832 -15.326 11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.639 -13.838 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.344 -14.273 13.434 1.00 0.00 H new ATOM 0 HG LEU A 23 7.565 -13.375 14.092 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.937 -12.173 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.744 -13.886 11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.787 -12.639 11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.108 -10.982 13.631 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.956 -11.448 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.612 -11.849 14.056 1.00 0.00 H new ATOM 336 N GLY A 24 8.360 -16.474 14.100 1.00 0.00 N ATOM 337 CA GLY A 24 8.680 -17.148 15.391 1.00 0.00 C ATOM 338 C GLY A 24 9.242 -16.123 16.376 1.00 0.00 C ATOM 339 O GLY A 24 10.350 -16.254 16.858 1.00 0.00 O ATOM 0 H GLY A 24 9.161 -16.290 13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.784 -17.611 15.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.404 -17.946 15.227 1.00 0.00 H new ATOM 343 N PHE A 25 8.494 -15.094 16.672 1.00 0.00 N ATOM 344 CA PHE A 25 8.986 -14.047 17.616 1.00 0.00 C ATOM 345 C PHE A 25 9.459 -14.664 18.934 1.00 0.00 C ATOM 346 O PHE A 25 9.270 -15.836 19.191 1.00 0.00 O ATOM 347 CB PHE A 25 7.775 -13.142 17.858 1.00 0.00 C ATOM 348 CG PHE A 25 6.587 -13.975 18.287 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.422 -14.322 19.636 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.645 -14.398 17.339 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.318 -15.088 20.033 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.544 -15.167 17.738 1.00 0.00 C ATOM 353 CZ PHE A 25 4.381 -15.511 19.084 1.00 0.00 C ATOM 0 H PHE A 25 7.559 -14.932 16.299 1.00 0.00 H new ATOM 0 HA PHE A 25 9.840 -13.507 17.208 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.009 -12.404 18.626 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.534 -12.591 16.949 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.146 -13.999 20.369 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.768 -14.131 16.300 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.190 -15.352 21.072 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.821 -15.494 17.006 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.532 -16.103 19.391 1.00 0.00 H new ATOM 363 N GLU A 26 10.072 -13.870 19.772 1.00 0.00 N ATOM 364 CA GLU A 26 10.560 -14.389 21.082 1.00 0.00 C ATOM 365 C GLU A 26 9.644 -13.906 22.209 1.00 0.00 C ATOM 366 O GLU A 26 8.699 -13.174 21.985 1.00 0.00 O ATOM 367 CB GLU A 26 11.963 -13.802 21.243 1.00 0.00 C ATOM 368 CG GLU A 26 12.869 -14.328 20.129 1.00 0.00 C ATOM 369 CD GLU A 26 14.303 -13.851 20.372 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.496 -13.050 21.272 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.184 -14.294 19.653 1.00 0.00 O ATOM 0 H GLU A 26 10.256 -12.881 19.604 1.00 0.00 H new ATOM 0 HA GLU A 26 10.569 -15.478 21.120 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.919 -12.713 21.207 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.372 -14.072 22.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.836 -15.417 20.102 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.516 -13.974 19.160 1.00 0.00 H new ATOM 378 N LYS A 27 9.917 -14.303 23.422 1.00 0.00 N ATOM 379 CA LYS A 27 9.059 -13.862 24.558 1.00 0.00 C ATOM 380 C LYS A 27 9.258 -12.368 24.825 1.00 0.00 C ATOM 381 O LYS A 27 10.369 -11.892 24.958 1.00 0.00 O ATOM 382 CB LYS A 27 9.531 -14.689 25.753 1.00 0.00 C ATOM 383 CG LYS A 27 8.690 -14.334 26.981 1.00 0.00 C ATOM 384 CD LYS A 27 8.898 -15.392 28.065 1.00 0.00 C ATOM 385 CE LYS A 27 10.188 -15.093 28.831 1.00 0.00 C ATOM 386 NZ LYS A 27 9.785 -14.129 29.895 1.00 0.00 N ATOM 0 H LYS A 27 10.695 -14.912 23.675 1.00 0.00 H new ATOM 0 HA LYS A 27 7.998 -14.007 24.355 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.441 -15.752 25.532 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.585 -14.493 25.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.974 -13.351 27.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.636 -14.279 26.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.050 -15.398 28.749 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.952 -16.383 27.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.613 -16.001 29.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.947 -14.665 28.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.612 -13.573 30.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.052 -13.490 29.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.409 -14.651 30.712 1.00 0.00 H new ATOM 400 N GLY A 28 8.189 -11.626 24.908 1.00 0.00 N ATOM 401 CA GLY A 28 8.312 -10.166 25.170 1.00 0.00 C ATOM 402 C GLY A 28 8.481 -9.420 23.846 1.00 0.00 C ATOM 403 O GLY A 28 8.333 -8.216 23.780 1.00 0.00 O ATOM 0 H GLY A 28 7.234 -11.969 24.805 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.426 -9.804 25.692 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.166 -9.973 25.819 1.00 0.00 H new ATOM 407 N GLU A 29 8.792 -10.121 22.789 1.00 0.00 N ATOM 408 CA GLU A 29 8.970 -9.437 21.476 1.00 0.00 C ATOM 409 C GLU A 29 7.683 -8.706 21.086 1.00 0.00 C ATOM 410 O GLU A 29 6.621 -9.293 21.014 1.00 0.00 O ATOM 411 CB GLU A 29 9.277 -10.555 20.480 1.00 0.00 C ATOM 412 CG GLU A 29 9.907 -9.955 19.222 1.00 0.00 C ATOM 413 CD GLU A 29 10.012 -11.032 18.140 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.721 -12.000 18.362 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.382 -10.870 17.107 1.00 0.00 O ATOM 0 H GLU A 29 8.930 -11.132 22.777 1.00 0.00 H new ATOM 0 HA GLU A 29 9.765 -8.691 21.503 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.955 -11.281 20.929 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.362 -11.089 20.223 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.304 -9.121 18.863 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.896 -9.558 19.452 1.00 0.00 H new ATOM 422 N GLN A 30 7.767 -7.429 20.830 1.00 0.00 N ATOM 423 CA GLN A 30 6.548 -6.663 20.442 1.00 0.00 C ATOM 424 C GLN A 30 6.234 -6.894 18.963 1.00 0.00 C ATOM 425 O GLN A 30 7.105 -6.841 18.118 1.00 0.00 O ATOM 426 CB GLN A 30 6.904 -5.197 20.698 1.00 0.00 C ATOM 427 CG GLN A 30 7.302 -5.019 22.165 1.00 0.00 C ATOM 428 CD GLN A 30 7.866 -3.613 22.374 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.422 -3.027 21.466 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.746 -3.041 23.541 1.00 0.00 N ATOM 0 H GLN A 30 8.627 -6.883 20.873 1.00 0.00 H new ATOM 0 HA GLN A 30 5.666 -6.969 21.005 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.724 -4.892 20.048 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.054 -4.558 20.460 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.436 -5.174 22.809 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.045 -5.766 22.444 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.280 -3.532 24.304 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.119 -2.103 23.690 1.00 0.00 H new ATOM 439 N LEU A 31 4.995 -7.151 18.642 1.00 0.00 N ATOM 440 CA LEU A 31 4.628 -7.389 17.215 1.00 0.00 C ATOM 441 C LEU A 31 3.382 -6.581 16.845 1.00 0.00 C ATOM 442 O LEU A 31 2.563 -6.264 17.685 1.00 0.00 O ATOM 443 CB LEU A 31 4.335 -8.888 17.121 1.00 0.00 C ATOM 444 CG LEU A 31 5.510 -9.686 17.690 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.019 -11.065 18.136 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.584 -9.850 16.613 1.00 0.00 C ATOM 0 H LEU A 31 4.221 -7.207 19.305 1.00 0.00 H new ATOM 0 HA LEU A 31 5.422 -7.084 16.533 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.424 -9.124 17.671 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.163 -9.169 16.082 1.00 0.00 H new ATOM 0 HG LEU A 31 5.931 -9.156 18.544 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.855 -11.635 18.542 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.253 -10.948 18.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.599 -11.595 17.282 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.421 -10.418 17.018 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.164 -10.381 15.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.933 -8.868 16.294 1.00 0.00 H new ATOM 458 N ARG A 32 3.228 -6.256 15.590 1.00 0.00 N ATOM 459 CA ARG A 32 2.029 -5.478 15.163 1.00 0.00 C ATOM 460 C ARG A 32 0.965 -6.431 14.613 1.00 0.00 C ATOM 461 O ARG A 32 1.251 -7.299 13.814 1.00 0.00 O ATOM 462 CB ARG A 32 2.535 -4.540 14.064 1.00 0.00 C ATOM 463 CG ARG A 32 1.351 -4.036 13.233 1.00 0.00 C ATOM 464 CD ARG A 32 1.847 -3.032 12.192 1.00 0.00 C ATOM 465 NE ARG A 32 0.635 -2.258 11.801 1.00 0.00 N ATOM 466 CZ ARG A 32 0.372 -2.050 10.541 1.00 0.00 C ATOM 467 NH1 ARG A 32 -0.701 -2.564 10.004 1.00 0.00 N ATOM 468 NH2 ARG A 32 1.180 -1.326 9.815 1.00 0.00 N ATOM 0 H ARG A 32 3.880 -6.495 14.842 1.00 0.00 H new ATOM 0 HA ARG A 32 1.573 -4.926 15.985 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.066 -3.698 14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.245 -5.063 13.424 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.857 -4.873 12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.611 -3.567 13.882 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.616 -2.380 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.287 -3.538 11.333 1.00 0.00 H new ATOM 0 HE ARG A 32 0.011 -1.891 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.334 -3.129 10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.906 -2.401 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.018 -0.922 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.973 -1.164 8.829 1.00 0.00 H new ATOM 482 N ILE A 33 -0.260 -6.280 15.037 1.00 0.00 N ATOM 483 CA ILE A 33 -1.338 -7.183 14.538 1.00 0.00 C ATOM 484 C ILE A 33 -1.778 -6.763 13.132 1.00 0.00 C ATOM 485 O ILE A 33 -2.258 -5.666 12.922 1.00 0.00 O ATOM 486 CB ILE A 33 -2.489 -7.015 15.531 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.955 -7.146 16.960 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.540 -8.099 15.280 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.149 -8.439 17.087 1.00 0.00 C ATOM 0 H ILE A 33 -0.562 -5.572 15.706 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.006 -8.219 14.469 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.940 -6.031 15.400 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.328 -6.289 17.205 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.782 -7.149 17.670 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.361 -7.980 15.987 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.921 -8.008 14.263 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.087 -9.082 15.411 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.769 -8.532 18.104 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.790 -9.291 16.859 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.313 -8.417 16.388 1.00 0.00 H new ATOM 501 N LEU A 34 -1.623 -7.630 12.168 1.00 0.00 N ATOM 502 CA LEU A 34 -2.038 -7.284 10.778 1.00 0.00 C ATOM 503 C LEU A 34 -3.514 -7.638 10.570 1.00 0.00 C ATOM 504 O LEU A 34 -4.232 -6.962 9.861 1.00 0.00 O ATOM 505 CB LEU A 34 -1.153 -8.140 9.871 1.00 0.00 C ATOM 506 CG LEU A 34 0.318 -7.816 10.136 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.199 -8.888 9.489 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.657 -6.450 9.537 1.00 0.00 C ATOM 0 H LEU A 34 -1.227 -8.563 12.283 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.927 -6.220 10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.342 -9.198 10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.395 -7.950 8.825 1.00 0.00 H new ATOM 0 HG LEU A 34 0.497 -7.795 11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.248 -8.659 9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.959 -9.862 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.019 -8.907 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.705 -6.220 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.478 -6.470 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.029 -5.686 9.995 1.00 0.00 H new ATOM 520 N GLU A 35 -3.967 -8.694 11.188 1.00 0.00 N ATOM 521 CA GLU A 35 -5.395 -9.097 11.032 1.00 0.00 C ATOM 522 C GLU A 35 -5.721 -10.247 11.989 1.00 0.00 C ATOM 523 O GLU A 35 -5.062 -11.268 11.994 1.00 0.00 O ATOM 524 CB GLU A 35 -5.521 -9.556 9.579 1.00 0.00 C ATOM 525 CG GLU A 35 -6.989 -9.856 9.266 1.00 0.00 C ATOM 526 CD GLU A 35 -7.103 -10.410 7.844 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.076 -10.568 7.207 1.00 0.00 O ATOM 528 OE2 GLU A 35 -8.218 -10.667 7.418 1.00 0.00 O ATOM 0 H GLU A 35 -3.410 -9.296 11.795 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.084 -8.284 11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.145 -8.783 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.913 -10.445 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.385 -10.577 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.586 -8.949 9.364 1.00 0.00 H new ATOM 535 N GLN A 36 -6.729 -10.089 12.802 1.00 0.00 N ATOM 536 CA GLN A 36 -7.092 -11.171 13.759 1.00 0.00 C ATOM 537 C GLN A 36 -8.305 -11.951 13.244 1.00 0.00 C ATOM 538 O GLN A 36 -9.350 -11.970 13.863 1.00 0.00 O ATOM 539 CB GLN A 36 -7.429 -10.451 15.064 1.00 0.00 C ATOM 540 CG GLN A 36 -6.168 -9.783 15.617 1.00 0.00 C ATOM 541 CD GLN A 36 -6.512 -9.031 16.904 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.667 -8.782 17.186 1.00 0.00 O ATOM 543 NE2 GLN A 36 -5.549 -8.654 17.701 1.00 0.00 N ATOM 0 H GLN A 36 -7.317 -9.257 12.845 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.286 -11.893 13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.203 -9.704 14.890 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.827 -11.159 15.791 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.403 -10.534 15.815 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.755 -9.094 14.880 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.579 -8.863 17.464 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.766 -8.150 18.561 1.00 0.00 H new ATOM 552 N SER A 37 -8.171 -12.597 12.119 1.00 0.00 N ATOM 553 CA SER A 37 -9.315 -13.377 11.566 1.00 0.00 C ATOM 554 C SER A 37 -9.041 -14.879 11.696 1.00 0.00 C ATOM 555 O SER A 37 -7.953 -15.346 11.423 1.00 0.00 O ATOM 556 CB SER A 37 -9.397 -12.973 10.095 1.00 0.00 C ATOM 557 OG SER A 37 -9.636 -11.576 10.000 1.00 0.00 O ATOM 0 H SER A 37 -7.319 -12.619 11.558 1.00 0.00 H new ATOM 0 HA SER A 37 -10.246 -13.176 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.469 -13.229 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.196 -13.524 9.600 1.00 0.00 H new ATOM 0 HG SER A 37 -9.288 -11.242 9.147 1.00 0.00 H new ATOM 563 N GLY A 38 -10.018 -15.637 12.113 1.00 0.00 N ATOM 564 CA GLY A 38 -9.810 -17.105 12.261 1.00 0.00 C ATOM 565 C GLY A 38 -9.005 -17.381 13.534 1.00 0.00 C ATOM 566 O GLY A 38 -8.712 -16.485 14.300 1.00 0.00 O ATOM 0 H GLY A 38 -10.950 -15.303 12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.771 -17.616 12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.282 -17.498 11.392 1.00 0.00 H new ATOM 570 N GLU A 39 -8.647 -18.614 13.765 1.00 0.00 N ATOM 571 CA GLU A 39 -7.863 -18.945 14.989 1.00 0.00 C ATOM 572 C GLU A 39 -6.481 -18.288 14.925 1.00 0.00 C ATOM 573 O GLU A 39 -5.950 -17.839 15.922 1.00 0.00 O ATOM 574 CB GLU A 39 -7.731 -20.469 14.977 1.00 0.00 C ATOM 575 CG GLU A 39 -9.120 -21.102 14.882 1.00 0.00 C ATOM 576 CD GLU A 39 -9.006 -22.613 15.086 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.908 -23.128 14.954 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.019 -23.231 15.371 1.00 0.00 O ATOM 0 H GLU A 39 -8.863 -19.406 13.160 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.346 -18.585 15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.118 -20.785 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.227 -20.808 15.882 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.780 -20.671 15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.563 -20.888 13.910 1.00 0.00 H new ATOM 585 N TRP A 40 -5.895 -18.229 13.761 1.00 0.00 N ATOM 586 CA TRP A 40 -4.548 -17.601 13.636 1.00 0.00 C ATOM 587 C TRP A 40 -4.682 -16.134 13.221 1.00 0.00 C ATOM 588 O TRP A 40 -5.508 -15.785 12.401 1.00 0.00 O ATOM 589 CB TRP A 40 -3.839 -18.403 12.544 1.00 0.00 C ATOM 590 CG TRP A 40 -3.431 -19.735 13.087 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.059 -20.905 12.830 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.319 -20.053 13.974 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.404 -21.921 13.502 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.324 -21.446 14.220 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.315 -19.276 14.580 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.368 -22.048 15.040 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.352 -19.878 15.406 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.379 -21.262 15.635 1.00 0.00 C ATOM 0 H TRP A 40 -6.289 -18.588 12.892 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.998 -17.615 14.577 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.500 -18.535 11.688 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.963 -17.859 12.190 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.930 -21.026 12.203 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.684 -22.901 13.471 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.285 -18.210 14.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.393 -23.114 15.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.414 -19.272 15.868 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.365 -21.719 16.271 1.00 0.00 H new ATOM 609 N TRP A 41 -3.874 -15.273 13.779 1.00 0.00 N ATOM 610 CA TRP A 41 -3.954 -13.829 13.416 1.00 0.00 C ATOM 611 C TRP A 41 -2.679 -13.394 12.687 1.00 0.00 C ATOM 612 O TRP A 41 -1.605 -13.905 12.938 1.00 0.00 O ATOM 613 CB TRP A 41 -4.079 -13.088 14.748 1.00 0.00 C ATOM 614 CG TRP A 41 -5.386 -13.422 15.394 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.392 -14.112 14.808 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.845 -13.093 16.737 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.437 -14.229 15.707 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.148 -13.616 16.910 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.262 -12.398 17.812 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.848 -13.456 18.107 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.964 -12.234 19.017 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.255 -12.762 19.164 1.00 0.00 C ATOM 0 H TRP A 41 -3.162 -15.507 14.471 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.792 -13.621 12.751 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.256 -13.365 15.407 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.008 -12.013 14.584 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.381 -14.507 13.803 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.314 -14.709 15.506 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.268 -11.988 17.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.841 -13.866 18.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.507 -11.698 19.836 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.790 -12.632 20.093 1.00 0.00 H new ATOM 633 N LYS A 42 -2.787 -12.450 11.794 1.00 0.00 N ATOM 634 CA LYS A 42 -1.578 -11.978 11.058 1.00 0.00 C ATOM 635 C LYS A 42 -0.874 -10.888 11.868 1.00 0.00 C ATOM 636 O LYS A 42 -1.509 -10.059 12.490 1.00 0.00 O ATOM 637 CB LYS A 42 -2.109 -11.412 9.741 1.00 0.00 C ATOM 638 CG LYS A 42 -2.777 -12.529 8.938 1.00 0.00 C ATOM 639 CD LYS A 42 -3.233 -11.981 7.585 1.00 0.00 C ATOM 640 CE LYS A 42 -4.016 -13.061 6.835 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.129 -13.462 5.707 1.00 0.00 N ATOM 0 H LYS A 42 -3.659 -11.985 11.541 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.853 -12.775 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.824 -10.614 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.293 -10.974 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.079 -13.354 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.630 -12.927 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.857 -11.099 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.370 -11.668 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.240 -13.909 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.969 -12.677 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.629 -14.139 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.870 -12.621 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.268 -13.907 6.084 1.00 0.00 H new ATOM 655 N ALA A 43 0.430 -10.879 11.870 1.00 0.00 N ATOM 656 CA ALA A 43 1.160 -9.838 12.646 1.00 0.00 C ATOM 657 C ALA A 43 2.460 -9.453 11.935 1.00 0.00 C ATOM 658 O ALA A 43 2.900 -10.120 11.020 1.00 0.00 O ATOM 659 CB ALA A 43 1.460 -10.490 13.996 1.00 0.00 C ATOM 0 H ALA A 43 1.020 -11.544 11.370 1.00 0.00 H new ATOM 0 HA ALA A 43 0.578 -8.923 12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.999 -9.785 14.629 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.525 -10.771 14.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.071 -11.380 13.843 1.00 0.00 H new ATOM 665 N GLN A 44 3.076 -8.379 12.350 1.00 0.00 N ATOM 666 CA GLN A 44 4.348 -7.950 11.697 1.00 0.00 C ATOM 667 C GLN A 44 5.358 -7.500 12.755 1.00 0.00 C ATOM 668 O GLN A 44 5.002 -6.929 13.767 1.00 0.00 O ATOM 669 CB GLN A 44 3.954 -6.775 10.802 1.00 0.00 C ATOM 670 CG GLN A 44 5.206 -6.200 10.137 1.00 0.00 C ATOM 671 CD GLN A 44 4.819 -4.990 9.284 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.652 -4.702 9.112 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.757 -4.264 8.739 1.00 0.00 N ATOM 0 H GLN A 44 2.755 -7.781 13.111 1.00 0.00 H new ATOM 0 HA GLN A 44 4.816 -8.756 11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.244 -7.104 10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.456 -6.005 11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.932 -5.907 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.682 -6.959 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.737 -4.506 8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.509 -3.455 8.169 1.00 0.00 H new ATOM 682 N SER A 45 6.620 -7.747 12.528 1.00 0.00 N ATOM 683 CA SER A 45 7.650 -7.328 13.520 1.00 0.00 C ATOM 684 C SER A 45 8.148 -5.919 13.190 1.00 0.00 C ATOM 685 O SER A 45 8.780 -5.695 12.177 1.00 0.00 O ATOM 686 CB SER A 45 8.782 -8.345 13.371 1.00 0.00 C ATOM 687 OG SER A 45 9.637 -8.270 14.502 1.00 0.00 O ATOM 0 H SER A 45 6.981 -8.220 11.700 1.00 0.00 H new ATOM 0 HA SER A 45 7.261 -7.301 14.538 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.372 -9.351 13.278 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.347 -8.145 12.461 1.00 0.00 H new ATOM 0 HG SER A 45 10.362 -8.923 14.408 1.00 0.00 H new ATOM 693 N LEU A 46 7.866 -4.964 14.036 1.00 0.00 N ATOM 694 CA LEU A 46 8.322 -3.570 13.767 1.00 0.00 C ATOM 695 C LEU A 46 9.825 -3.436 14.030 1.00 0.00 C ATOM 696 O LEU A 46 10.388 -2.364 13.928 1.00 0.00 O ATOM 697 CB LEU A 46 7.528 -2.700 14.743 1.00 0.00 C ATOM 698 CG LEU A 46 6.030 -2.896 14.500 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.238 -1.985 15.441 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.697 -2.544 13.049 1.00 0.00 C ATOM 0 H LEU A 46 7.340 -5.089 14.901 1.00 0.00 H new ATOM 0 HA LEU A 46 8.158 -3.278 12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.778 -2.966 15.770 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.794 -1.651 14.611 1.00 0.00 H new ATOM 0 HG LEU A 46 5.764 -3.936 14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.171 -2.124 15.269 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.474 -2.236 16.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.504 -0.945 15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.630 -2.684 12.876 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.963 -1.505 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.261 -3.193 12.379 1.00 0.00 H new ATOM 712 N THR A 47 10.482 -4.514 14.364 1.00 0.00 N ATOM 713 CA THR A 47 11.948 -4.440 14.627 1.00 0.00 C ATOM 714 C THR A 47 12.727 -4.843 13.372 1.00 0.00 C ATOM 715 O THR A 47 13.798 -4.336 13.106 1.00 0.00 O ATOM 716 CB THR A 47 12.196 -5.439 15.758 1.00 0.00 C ATOM 717 OG1 THR A 47 11.408 -5.082 16.885 1.00 0.00 O ATOM 718 CG2 THR A 47 13.677 -5.422 16.142 1.00 0.00 C ATOM 0 H THR A 47 10.068 -5.441 14.466 1.00 0.00 H new ATOM 0 HA THR A 47 12.273 -3.434 14.894 1.00 0.00 H new ATOM 0 HB THR A 47 11.921 -6.440 15.425 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.565 -5.723 17.610 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.852 -6.134 16.948 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.280 -5.697 15.277 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.955 -4.422 16.475 1.00 0.00 H new ATOM 726 N THR A 48 12.197 -5.753 12.598 1.00 0.00 N ATOM 727 CA THR A 48 12.909 -6.187 11.362 1.00 0.00 C ATOM 728 C THR A 48 12.055 -5.890 10.127 1.00 0.00 C ATOM 729 O THR A 48 12.499 -6.034 9.004 1.00 0.00 O ATOM 730 CB THR A 48 13.106 -7.695 11.527 1.00 0.00 C ATOM 731 OG1 THR A 48 13.476 -7.979 12.869 1.00 0.00 O ATOM 732 CG2 THR A 48 14.206 -8.175 10.579 1.00 0.00 C ATOM 0 H THR A 48 11.303 -6.214 12.769 1.00 0.00 H new ATOM 0 HA THR A 48 13.856 -5.664 11.226 1.00 0.00 H new ATOM 0 HB THR A 48 12.176 -8.211 11.290 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.601 -8.945 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.345 -9.250 10.698 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.920 -7.958 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.138 -7.660 10.813 1.00 0.00 H new ATOM 740 N GLY A 49 10.834 -5.474 10.322 1.00 0.00 N ATOM 741 CA GLY A 49 9.955 -5.167 9.160 1.00 0.00 C ATOM 742 C GLY A 49 9.538 -6.471 8.475 1.00 0.00 C ATOM 743 O GLY A 49 9.523 -6.571 7.264 1.00 0.00 O ATOM 0 H GLY A 49 10.407 -5.333 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.073 -4.620 9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.480 -4.525 8.453 1.00 0.00 H new ATOM 747 N GLN A 50 9.199 -7.471 9.241 1.00 0.00 N ATOM 748 CA GLN A 50 8.783 -8.768 8.634 1.00 0.00 C ATOM 749 C GLN A 50 7.348 -9.107 9.050 1.00 0.00 C ATOM 750 O GLN A 50 6.908 -8.767 10.129 1.00 0.00 O ATOM 751 CB GLN A 50 9.760 -9.801 9.193 1.00 0.00 C ATOM 752 CG GLN A 50 10.739 -10.223 8.096 1.00 0.00 C ATOM 753 CD GLN A 50 11.904 -10.995 8.719 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.790 -11.509 9.814 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.028 -11.099 8.063 1.00 0.00 N ATOM 0 H GLN A 50 9.192 -7.447 10.261 1.00 0.00 H new ATOM 0 HA GLN A 50 8.802 -8.739 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.304 -9.382 10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.215 -10.670 9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.230 -10.844 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.112 -9.345 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.124 -10.668 7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.810 -11.612 8.470 1.00 0.00 H new ATOM 764 N GLU A 51 6.614 -9.772 8.200 1.00 0.00 N ATOM 765 CA GLU A 51 5.209 -10.128 8.547 1.00 0.00 C ATOM 766 C GLU A 51 5.038 -11.649 8.578 1.00 0.00 C ATOM 767 O GLU A 51 5.547 -12.358 7.733 1.00 0.00 O ATOM 768 CB GLU A 51 4.359 -9.513 7.436 1.00 0.00 C ATOM 769 CG GLU A 51 4.433 -7.987 7.524 1.00 0.00 C ATOM 770 CD GLU A 51 3.402 -7.370 6.577 1.00 0.00 C ATOM 771 OE1 GLU A 51 2.809 -8.112 5.813 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.223 -6.163 6.632 1.00 0.00 O ATOM 0 H GLU A 51 6.927 -10.084 7.281 1.00 0.00 H new ATOM 0 HA GLU A 51 4.921 -9.759 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.715 -9.850 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.325 -9.844 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.243 -7.662 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.434 -7.645 7.261 1.00 0.00 H new ATOM 779 N GLY A 52 4.324 -12.155 9.546 1.00 0.00 N ATOM 780 CA GLY A 52 4.119 -13.628 9.631 1.00 0.00 C ATOM 781 C GLY A 52 2.884 -13.918 10.484 1.00 0.00 C ATOM 782 O GLY A 52 2.496 -13.127 11.321 1.00 0.00 O ATOM 0 H GLY A 52 3.874 -11.611 10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.992 -14.047 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.997 -14.104 10.068 1.00 0.00 H new ATOM 786 N PHE A 53 2.258 -15.044 10.279 1.00 0.00 N ATOM 787 CA PHE A 53 1.046 -15.378 11.080 1.00 0.00 C ATOM 788 C PHE A 53 1.431 -15.636 12.538 1.00 0.00 C ATOM 789 O PHE A 53 2.494 -16.147 12.829 1.00 0.00 O ATOM 790 CB PHE A 53 0.484 -16.645 10.436 1.00 0.00 C ATOM 791 CG PHE A 53 0.084 -16.344 9.012 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.146 -15.730 8.746 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.943 -16.676 7.958 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.516 -15.448 7.426 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.572 -16.395 6.638 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.657 -15.781 6.371 1.00 0.00 C ATOM 0 H PHE A 53 2.533 -15.747 9.592 1.00 0.00 H new ATOM 0 HA PHE A 53 0.316 -14.568 11.086 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.230 -17.439 10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.377 -17.003 11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.809 -15.474 9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.892 -17.149 8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.464 -14.973 7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.235 -16.652 5.825 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.943 -15.564 5.352 1.00 0.00 H new ATOM 806 N ILE A 54 0.575 -15.283 13.456 1.00 0.00 N ATOM 807 CA ILE A 54 0.892 -15.505 14.896 1.00 0.00 C ATOM 808 C ILE A 54 -0.330 -16.065 15.626 1.00 0.00 C ATOM 809 O ILE A 54 -1.455 -15.754 15.285 1.00 0.00 O ATOM 810 CB ILE A 54 1.253 -14.123 15.442 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.065 -13.175 15.260 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.463 -13.576 14.683 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.199 -12.431 16.570 1.00 0.00 C ATOM 0 H ILE A 54 -0.330 -14.850 13.272 1.00 0.00 H new ATOM 0 HA ILE A 54 1.702 -16.222 15.033 1.00 0.00 H new ATOM 0 HB ILE A 54 1.494 -14.203 16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.273 -12.464 14.461 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.821 -13.737 14.964 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.721 -12.591 15.071 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.309 -14.251 14.813 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.222 -13.496 13.623 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.045 -11.756 16.441 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.425 -13.150 17.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.685 -11.856 16.847 1.00 0.00 H new ATOM 825 N PRO A 55 -0.064 -16.875 16.612 1.00 0.00 N ATOM 826 CA PRO A 55 -1.184 -17.467 17.383 1.00 0.00 C ATOM 827 C PRO A 55 -1.831 -16.408 18.279 1.00 0.00 C ATOM 828 O PRO A 55 -1.173 -15.524 18.790 1.00 0.00 O ATOM 829 CB PRO A 55 -0.528 -18.565 18.213 1.00 0.00 C ATOM 830 CG PRO A 55 0.900 -18.152 18.339 1.00 0.00 C ATOM 831 CD PRO A 55 1.236 -17.335 17.119 1.00 0.00 C ATOM 0 HA PRO A 55 -1.980 -17.854 16.747 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.000 -18.656 19.191 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.617 -19.535 17.725 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.053 -17.569 19.247 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.549 -19.025 18.408 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.883 -16.495 17.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.763 -17.932 16.375 1.00 0.00 H new ATOM 839 N PHE A 56 -3.117 -16.493 18.464 1.00 0.00 N ATOM 840 CA PHE A 56 -3.817 -15.492 19.319 1.00 0.00 C ATOM 841 C PHE A 56 -3.669 -15.852 20.802 1.00 0.00 C ATOM 842 O PHE A 56 -4.174 -15.166 21.668 1.00 0.00 O ATOM 843 CB PHE A 56 -5.284 -15.555 18.886 1.00 0.00 C ATOM 844 CG PHE A 56 -5.946 -16.775 19.485 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.817 -18.022 18.862 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.692 -16.656 20.664 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.432 -19.149 19.418 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.308 -17.783 21.219 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.179 -19.031 20.596 1.00 0.00 C ATOM 0 H PHE A 56 -3.716 -17.213 18.060 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.402 -14.491 19.202 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.806 -14.653 19.207 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.350 -15.592 17.799 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.243 -18.114 17.952 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.792 -15.694 21.145 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.330 -20.111 18.938 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.883 -17.691 22.128 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.655 -19.901 21.024 1.00 0.00 H new ATOM 859 N ASN A 57 -2.989 -16.926 21.104 1.00 0.00 N ATOM 860 CA ASN A 57 -2.826 -17.323 22.532 1.00 0.00 C ATOM 861 C ASN A 57 -1.465 -16.870 23.075 1.00 0.00 C ATOM 862 O ASN A 57 -1.308 -16.638 24.257 1.00 0.00 O ATOM 863 CB ASN A 57 -2.917 -18.849 22.529 1.00 0.00 C ATOM 864 CG ASN A 57 -4.337 -19.275 22.154 1.00 0.00 C ATOM 865 OD1 ASN A 57 -5.301 -18.736 22.662 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.510 -20.229 21.279 1.00 0.00 N ATOM 0 H ASN A 57 -2.541 -17.543 20.426 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.582 -16.864 23.169 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.202 -19.265 21.819 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.656 -19.241 23.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.453 -20.521 21.023 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.702 -20.682 20.852 1.00 0.00 H new ATOM 873 N PHE A 58 -0.477 -16.745 22.229 1.00 0.00 N ATOM 874 CA PHE A 58 0.866 -16.312 22.718 1.00 0.00 C ATOM 875 C PHE A 58 0.994 -14.787 22.653 1.00 0.00 C ATOM 876 O PHE A 58 2.043 -14.235 22.909 1.00 0.00 O ATOM 877 CB PHE A 58 1.876 -16.976 21.781 1.00 0.00 C ATOM 878 CG PHE A 58 1.701 -18.477 21.817 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.122 -19.094 22.934 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.121 -19.252 20.731 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.964 -20.485 22.962 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.963 -20.643 20.758 1.00 0.00 C ATOM 883 CZ PHE A 58 1.384 -21.259 21.874 1.00 0.00 C ATOM 0 H PHE A 58 -0.540 -16.923 21.227 1.00 0.00 H new ATOM 0 HA PHE A 58 1.030 -16.599 23.757 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.737 -16.609 20.764 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.891 -16.712 22.080 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.798 -18.497 23.773 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.568 -18.777 19.870 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.518 -20.961 23.823 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.287 -21.240 19.919 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.261 -22.332 21.895 1.00 0.00 H new ATOM 893 N VAL A 59 -0.065 -14.103 22.317 1.00 0.00 N ATOM 894 CA VAL A 59 0.006 -12.615 22.244 1.00 0.00 C ATOM 895 C VAL A 59 -1.321 -12.002 22.693 1.00 0.00 C ATOM 896 O VAL A 59 -2.332 -12.672 22.772 1.00 0.00 O ATOM 897 CB VAL A 59 0.271 -12.295 20.775 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.683 -10.827 20.639 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.396 -13.189 20.252 1.00 0.00 C ATOM 0 H VAL A 59 -0.974 -14.508 22.090 1.00 0.00 H new ATOM 0 HA VAL A 59 0.783 -12.210 22.893 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.635 -12.475 20.196 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.872 -10.598 19.590 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.118 -10.188 21.011 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.589 -10.648 21.219 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.585 -12.960 19.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.302 -13.010 20.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.104 -14.235 20.348 1.00 0.00 H new ATOM 909 N ALA A 60 -1.325 -10.732 22.988 1.00 0.00 N ATOM 910 CA ALA A 60 -2.587 -10.073 23.432 1.00 0.00 C ATOM 911 C ALA A 60 -2.538 -8.574 23.129 1.00 0.00 C ATOM 912 O ALA A 60 -1.500 -8.029 22.808 1.00 0.00 O ATOM 913 CB ALA A 60 -2.647 -10.313 24.942 1.00 0.00 C ATOM 0 H ALA A 60 -0.510 -10.121 22.941 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.463 -10.471 22.919 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.550 -9.857 25.347 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.661 -11.385 25.140 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.772 -9.868 25.416 1.00 0.00 H new