USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.115 (180deg=0.00606) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.444 USER MOD Single : A 12 HIS : no HD1:sc= -0.0835 X(o=-0.084,f=-0.025) USER MOD Single : A 14 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-4.6!) USER MOD Single : A 15 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.14) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.353 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.108 -5.405 -6.370 1.00 0.00 N ATOM 2 CA SER A 1 -18.299 -5.449 -4.889 1.00 0.00 C ATOM 3 C SER A 1 -17.696 -4.198 -4.241 1.00 0.00 C ATOM 4 O SER A 1 -16.559 -3.848 -4.499 1.00 0.00 O ATOM 5 CB SER A 1 -17.557 -6.706 -4.424 1.00 0.00 C ATOM 6 OG SER A 1 -18.040 -7.831 -5.148 1.00 0.00 O ATOM 0 H1 SER A 1 -17.929 -6.366 -6.726 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.965 -5.024 -6.819 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.297 -4.795 -6.597 1.00 0.00 H new ATOM 0 HA SER A 1 -19.353 -5.475 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.485 -6.589 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.706 -6.856 -3.355 1.00 0.00 H new ATOM 0 HG SER A 1 -17.566 -8.637 -4.854 1.00 0.00 H new ATOM 11 N ASP A 2 -18.456 -3.524 -3.405 1.00 0.00 N ATOM 12 CA ASP A 2 -17.953 -2.283 -2.725 1.00 0.00 C ATOM 13 C ASP A 2 -17.384 -1.287 -3.750 1.00 0.00 C ATOM 14 O ASP A 2 -16.410 -0.603 -3.494 1.00 0.00 O ATOM 15 CB ASP A 2 -16.857 -2.760 -1.764 1.00 0.00 C ATOM 16 CG ASP A 2 -17.453 -3.724 -0.735 1.00 0.00 C ATOM 17 OD1 ASP A 2 -18.064 -3.250 0.209 1.00 0.00 O ATOM 18 OD2 ASP A 2 -17.289 -4.921 -0.911 1.00 0.00 O ATOM 0 H ASP A 2 -19.412 -3.784 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.752 -1.761 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.062 -3.255 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.407 -1.906 -1.258 1.00 0.00 H new ATOM 23 N LEU A 3 -17.988 -1.204 -4.910 1.00 0.00 N ATOM 24 CA LEU A 3 -17.491 -0.258 -5.959 1.00 0.00 C ATOM 25 C LEU A 3 -17.923 1.186 -5.643 1.00 0.00 C ATOM 26 O LEU A 3 -17.095 2.077 -5.631 1.00 0.00 O ATOM 27 CB LEU A 3 -18.112 -0.742 -7.276 1.00 0.00 C ATOM 28 CG LEU A 3 -17.173 -1.748 -7.947 1.00 0.00 C ATOM 29 CD1 LEU A 3 -17.961 -2.597 -8.946 1.00 0.00 C ATOM 30 CD2 LEU A 3 -16.062 -0.995 -8.684 1.00 0.00 C ATOM 0 H LEU A 3 -18.806 -1.752 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.402 -0.248 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -19.080 -1.204 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.288 0.105 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.734 -2.395 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.291 -3.313 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.753 -3.134 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.401 -1.951 -9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.393 -1.710 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.502 -0.347 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.499 -0.390 -7.973 1.00 0.00 H new ATOM 42 N PRO A 4 -19.204 1.381 -5.388 1.00 0.00 N ATOM 43 CA PRO A 4 -19.712 2.737 -5.063 1.00 0.00 C ATOM 44 C PRO A 4 -19.529 3.064 -3.567 1.00 0.00 C ATOM 45 O PRO A 4 -20.163 3.963 -3.049 1.00 0.00 O ATOM 46 CB PRO A 4 -21.194 2.650 -5.417 1.00 0.00 C ATOM 47 CG PRO A 4 -21.555 1.199 -5.301 1.00 0.00 C ATOM 48 CD PRO A 4 -20.285 0.386 -5.387 1.00 0.00 C ATOM 0 HA PRO A 4 -19.183 3.524 -5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.794 3.258 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.378 3.020 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.064 1.009 -4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.243 0.914 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.194 -0.297 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -20.264 -0.222 -6.292 1.00 0.00 H new ATOM 56 N ALA A 5 -18.669 2.343 -2.873 1.00 0.00 N ATOM 57 CA ALA A 5 -18.439 2.605 -1.411 1.00 0.00 C ATOM 58 C ALA A 5 -19.757 2.530 -0.621 1.00 0.00 C ATOM 59 O ALA A 5 -19.957 3.256 0.335 1.00 0.00 O ATOM 60 CB ALA A 5 -17.847 4.015 -1.344 1.00 0.00 C ATOM 0 H ALA A 5 -18.114 1.580 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.776 1.862 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.651 4.278 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.915 4.045 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.553 4.727 -1.772 1.00 0.00 H new ATOM 66 N LEU A 6 -20.652 1.655 -1.014 1.00 0.00 N ATOM 67 CA LEU A 6 -21.960 1.531 -0.289 1.00 0.00 C ATOM 68 C LEU A 6 -21.766 0.843 1.071 1.00 0.00 C ATOM 69 O LEU A 6 -22.473 1.128 2.020 1.00 0.00 O ATOM 70 CB LEU A 6 -22.848 0.673 -1.198 1.00 0.00 C ATOM 71 CG LEU A 6 -23.604 1.571 -2.184 1.00 0.00 C ATOM 72 CD1 LEU A 6 -24.249 0.706 -3.269 1.00 0.00 C ATOM 73 CD2 LEU A 6 -24.697 2.347 -1.440 1.00 0.00 C ATOM 0 H LEU A 6 -20.535 1.021 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.402 2.507 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.238 -0.048 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.555 0.102 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 6 -22.906 2.273 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -24.787 1.344 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.475 0.153 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -24.945 0.005 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.233 2.985 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.394 1.645 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.242 2.964 -0.665 1.00 0.00 H new ATOM 85 N SER A 7 -20.820 -0.061 1.171 1.00 0.00 N ATOM 86 CA SER A 7 -20.585 -0.766 2.468 1.00 0.00 C ATOM 87 C SER A 7 -19.132 -0.582 2.924 1.00 0.00 C ATOM 88 O SER A 7 -18.850 0.206 3.805 1.00 0.00 O ATOM 89 CB SER A 7 -20.893 -2.240 2.183 1.00 0.00 C ATOM 90 OG SER A 7 -22.298 -2.407 2.032 1.00 0.00 O ATOM 0 H SER A 7 -20.201 -0.340 0.409 1.00 0.00 H new ATOM 0 HA SER A 7 -21.210 -0.373 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.378 -2.563 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.527 -2.864 2.998 1.00 0.00 H new ATOM 0 HG SER A 7 -22.498 -3.349 1.848 1.00 0.00 H new ATOM 96 N THR A 8 -18.213 -1.301 2.334 1.00 0.00 N ATOM 97 CA THR A 8 -16.776 -1.171 2.736 1.00 0.00 C ATOM 98 C THR A 8 -15.896 -0.884 1.509 1.00 0.00 C ATOM 99 O THR A 8 -14.769 -1.334 1.424 1.00 0.00 O ATOM 100 CB THR A 8 -16.395 -2.521 3.378 1.00 0.00 C ATOM 101 OG1 THR A 8 -17.348 -3.522 3.030 1.00 0.00 O ATOM 102 CG2 THR A 8 -16.353 -2.368 4.899 1.00 0.00 C ATOM 0 H THR A 8 -18.394 -1.974 1.590 1.00 0.00 H new ATOM 0 HA THR A 8 -16.627 -0.344 3.430 1.00 0.00 H new ATOM 0 HB THR A 8 -15.415 -2.822 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.470 -3.534 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.084 -3.322 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.612 -1.616 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.333 -2.058 5.261 1.00 0.00 H new ATOM 110 N GLY A 9 -16.402 -0.129 0.561 1.00 0.00 N ATOM 111 CA GLY A 9 -15.596 0.194 -0.654 1.00 0.00 C ATOM 112 C GLY A 9 -14.483 1.174 -0.284 1.00 0.00 C ATOM 113 O GLY A 9 -13.315 0.889 -0.461 1.00 0.00 O ATOM 0 H GLY A 9 -17.338 0.276 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.168 -0.717 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.236 0.628 -1.423 1.00 0.00 H new ATOM 117 N LEU A 10 -14.839 2.323 0.236 1.00 0.00 N ATOM 118 CA LEU A 10 -13.803 3.331 0.629 1.00 0.00 C ATOM 119 C LEU A 10 -12.884 2.754 1.713 1.00 0.00 C ATOM 120 O LEU A 10 -11.688 2.973 1.695 1.00 0.00 O ATOM 121 CB LEU A 10 -14.587 4.534 1.171 1.00 0.00 C ATOM 122 CG LEU A 10 -14.167 5.813 0.434 1.00 0.00 C ATOM 123 CD1 LEU A 10 -12.664 6.047 0.616 1.00 0.00 C ATOM 124 CD2 LEU A 10 -14.485 5.675 -1.059 1.00 0.00 C ATOM 0 H LEU A 10 -15.804 2.608 0.406 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.167 3.611 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.657 4.367 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.405 4.645 2.240 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.716 6.660 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.371 6.956 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.438 6.152 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.112 5.199 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.186 6.584 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.940 4.825 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.556 5.517 -1.190 1.00 0.00 H new ATOM 136 N LEU A 11 -13.431 2.011 2.649 1.00 0.00 N ATOM 137 CA LEU A 11 -12.582 1.411 3.725 1.00 0.00 C ATOM 138 C LEU A 11 -11.510 0.507 3.098 1.00 0.00 C ATOM 139 O LEU A 11 -10.340 0.607 3.418 1.00 0.00 O ATOM 140 CB LEU A 11 -13.544 0.592 4.595 1.00 0.00 C ATOM 141 CG LEU A 11 -12.906 0.337 5.965 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.982 0.401 7.052 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.254 -1.049 5.976 1.00 0.00 C ATOM 0 H LEU A 11 -14.426 1.796 2.712 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.061 2.167 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.486 1.126 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.774 -0.355 4.108 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.149 1.097 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.527 0.219 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.446 1.387 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.740 -0.358 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.800 -1.230 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.011 -1.809 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.486 -1.096 5.204 1.00 0.00 H new ATOM 155 N HIS A 12 -11.906 -0.360 2.197 1.00 0.00 N ATOM 156 CA HIS A 12 -10.916 -1.263 1.529 1.00 0.00 C ATOM 157 C HIS A 12 -10.010 -0.442 0.606 1.00 0.00 C ATOM 158 O HIS A 12 -8.804 -0.615 0.591 1.00 0.00 O ATOM 159 CB HIS A 12 -11.751 -2.257 0.712 1.00 0.00 C ATOM 160 CG HIS A 12 -12.358 -3.293 1.624 1.00 0.00 C ATOM 161 ND1 HIS A 12 -12.837 -4.506 1.149 1.00 0.00 N ATOM 162 CD2 HIS A 12 -12.576 -3.312 2.981 1.00 0.00 C ATOM 163 CE1 HIS A 12 -13.313 -5.195 2.202 1.00 0.00 C ATOM 164 NE2 HIS A 12 -13.179 -4.513 3.342 1.00 0.00 N ATOM 0 H HIS A 12 -12.873 -0.481 1.895 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.276 -1.775 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.538 -1.728 0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.124 -2.742 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.318 -2.516 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.750 -6.180 2.133 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.459 -4.809 4.277 1.00 0.00 H new ATOM 172 N LEU A 13 -10.586 0.460 -0.157 1.00 0.00 N ATOM 173 CA LEU A 13 -9.770 1.313 -1.080 1.00 0.00 C ATOM 174 C LEU A 13 -8.699 2.072 -0.286 1.00 0.00 C ATOM 175 O LEU A 13 -7.563 2.172 -0.709 1.00 0.00 O ATOM 176 CB LEU A 13 -10.764 2.292 -1.717 1.00 0.00 C ATOM 177 CG LEU A 13 -11.038 1.877 -3.164 1.00 0.00 C ATOM 178 CD1 LEU A 13 -12.332 2.533 -3.649 1.00 0.00 C ATOM 179 CD2 LEU A 13 -9.876 2.326 -4.055 1.00 0.00 C ATOM 0 H LEU A 13 -11.589 0.642 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.251 0.721 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.694 2.303 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.362 3.305 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.138 0.793 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.526 2.237 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.161 2.213 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.232 3.617 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.072 2.030 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.775 3.410 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.953 1.858 -3.713 1.00 0.00 H new ATOM 191 N HIS A 14 -9.054 2.593 0.868 1.00 0.00 N ATOM 192 CA HIS A 14 -8.056 3.333 1.701 1.00 0.00 C ATOM 193 C HIS A 14 -6.933 2.382 2.134 1.00 0.00 C ATOM 194 O HIS A 14 -5.767 2.706 2.028 1.00 0.00 O ATOM 195 CB HIS A 14 -8.842 3.843 2.921 1.00 0.00 C ATOM 196 CG HIS A 14 -7.891 4.217 4.033 1.00 0.00 C ATOM 197 ND1 HIS A 14 -8.032 3.727 5.324 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.775 5.019 4.060 1.00 0.00 C ATOM 199 CE1 HIS A 14 -7.027 4.235 6.063 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.235 5.030 5.342 1.00 0.00 N ATOM 0 H HIS A 14 -9.991 2.536 1.266 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.588 4.154 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.443 4.708 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.532 3.073 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.377 5.559 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.880 4.024 7.112 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.410 5.537 5.662 1.00 0.00 H new ATOM 208 N GLN A 15 -7.282 1.210 2.616 1.00 0.00 N ATOM 209 CA GLN A 15 -6.243 0.228 3.059 1.00 0.00 C ATOM 210 C GLN A 15 -5.228 -0.033 1.935 1.00 0.00 C ATOM 211 O GLN A 15 -4.039 -0.106 2.176 1.00 0.00 O ATOM 212 CB GLN A 15 -7.020 -1.051 3.401 1.00 0.00 C ATOM 213 CG GLN A 15 -6.048 -2.146 3.855 1.00 0.00 C ATOM 214 CD GLN A 15 -5.389 -1.741 5.177 1.00 0.00 C ATOM 215 OE1 GLN A 15 -5.899 -2.038 6.239 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.269 -1.072 5.158 1.00 0.00 N ATOM 0 H GLN A 15 -8.246 0.892 2.721 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.671 0.595 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.745 -0.847 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.582 -1.389 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.580 -3.089 3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.286 -2.307 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.839 -0.822 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.823 -0.799 6.034 1.00 0.00 H new ATOM 225 N ASN A 16 -5.688 -0.169 0.712 1.00 0.00 N ATOM 226 CA ASN A 16 -4.741 -0.420 -0.422 1.00 0.00 C ATOM 227 C ASN A 16 -3.851 0.808 -0.657 1.00 0.00 C ATOM 228 O ASN A 16 -2.648 0.690 -0.781 1.00 0.00 O ATOM 229 CB ASN A 16 -5.626 -0.685 -1.645 1.00 0.00 C ATOM 230 CG ASN A 16 -4.764 -0.702 -2.916 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.048 0.007 -3.861 1.00 0.00 O ATOM 232 ND2 ASN A 16 -3.716 -1.480 -2.978 1.00 0.00 N ATOM 0 H ASN A 16 -6.673 -0.117 0.452 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.076 -1.259 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.143 -1.638 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.393 0.086 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.138 -1.491 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.476 -2.076 -2.186 1.00 0.00 H new ATOM 239 N ILE A 17 -4.434 1.984 -0.719 1.00 0.00 N ATOM 240 CA ILE A 17 -3.618 3.224 -0.943 1.00 0.00 C ATOM 241 C ILE A 17 -2.561 3.362 0.164 1.00 0.00 C ATOM 242 O ILE A 17 -1.437 3.751 -0.086 1.00 0.00 O ATOM 243 CB ILE A 17 -4.622 4.386 -0.893 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.498 4.357 -2.151 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.869 5.721 -0.834 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.696 5.293 -1.967 1.00 0.00 C ATOM 0 H ILE A 17 -5.438 2.139 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.082 3.203 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.246 4.282 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.915 4.664 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.844 3.341 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.586 6.542 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.244 5.747 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.242 5.825 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.317 5.270 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.284 4.967 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.341 6.309 -1.798 1.00 0.00 H new ATOM 258 N VAL A 18 -2.916 3.028 1.381 1.00 0.00 N ATOM 259 CA VAL A 18 -1.938 3.120 2.510 1.00 0.00 C ATOM 260 C VAL A 18 -0.894 2.004 2.382 1.00 0.00 C ATOM 261 O VAL A 18 0.269 2.193 2.684 1.00 0.00 O ATOM 262 CB VAL A 18 -2.777 2.942 3.786 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.890 3.093 5.021 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.874 4.005 3.836 1.00 0.00 C ATOM 0 H VAL A 18 -3.844 2.695 1.642 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.396 4.066 2.518 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.223 1.948 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.493 2.965 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.105 2.337 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.438 4.085 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.466 3.875 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.420 4.996 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.519 3.903 2.963 1.00 0.00 H new ATOM 274 N ASP A 19 -1.308 0.848 1.922 1.00 0.00 N ATOM 275 CA ASP A 19 -0.354 -0.295 1.754 1.00 0.00 C ATOM 276 C ASP A 19 0.645 -0.015 0.622 1.00 0.00 C ATOM 277 O ASP A 19 1.661 -0.671 0.514 1.00 0.00 O ATOM 278 CB ASP A 19 -1.226 -1.506 1.406 1.00 0.00 C ATOM 279 CG ASP A 19 -1.241 -2.480 2.584 1.00 0.00 C ATOM 280 OD1 ASP A 19 -1.881 -2.172 3.575 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.609 -3.516 2.474 1.00 0.00 O ATOM 0 H ASP A 19 -2.271 0.645 1.654 1.00 0.00 H new ATOM 0 HA ASP A 19 0.234 -0.459 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.241 -1.182 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.839 -2.002 0.516 1.00 0.00 H new ATOM 286 N VAL A 20 0.372 0.953 -0.216 1.00 0.00 N ATOM 287 CA VAL A 20 1.323 1.270 -1.323 1.00 0.00 C ATOM 288 C VAL A 20 2.128 2.522 -0.962 1.00 0.00 C ATOM 289 O VAL A 20 3.317 2.595 -1.200 1.00 0.00 O ATOM 290 CB VAL A 20 0.451 1.516 -2.560 1.00 0.00 C ATOM 291 CG1 VAL A 20 1.349 1.778 -3.771 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.417 0.283 -2.837 1.00 0.00 C ATOM 0 H VAL A 20 -0.465 1.535 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 20 2.037 0.466 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.190 2.379 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.731 1.953 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.968 2.655 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.989 0.913 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.035 0.463 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.224 -0.581 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.058 0.089 -1.977 1.00 0.00 H new ATOM 302 N GLN A 21 1.481 3.502 -0.382 1.00 0.00 N ATOM 303 CA GLN A 21 2.191 4.763 0.008 1.00 0.00 C ATOM 304 C GLN A 21 3.253 4.480 1.081 1.00 0.00 C ATOM 305 O GLN A 21 4.331 5.045 1.052 1.00 0.00 O ATOM 306 CB GLN A 21 1.097 5.680 0.567 1.00 0.00 C ATOM 307 CG GLN A 21 1.368 7.127 0.141 1.00 0.00 C ATOM 308 CD GLN A 21 0.101 7.725 -0.478 1.00 0.00 C ATOM 309 OE1 GLN A 21 0.048 7.964 -1.668 1.00 0.00 O ATOM 310 NE2 GLN A 21 -0.929 7.979 0.282 1.00 0.00 N ATOM 0 H GLN A 21 0.486 3.484 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 21 2.713 5.213 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.120 5.361 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.071 5.610 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.678 7.718 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.186 7.158 -0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.887 7.779 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.776 8.377 -0.123 1.00 0.00 H new ATOM 319 N TYR A 22 2.960 3.617 2.027 1.00 0.00 N ATOM 320 CA TYR A 22 3.959 3.307 3.101 1.00 0.00 C ATOM 321 C TYR A 22 5.218 2.651 2.500 1.00 0.00 C ATOM 322 O TYR A 22 6.308 2.799 3.023 1.00 0.00 O ATOM 323 CB TYR A 22 3.225 2.368 4.084 1.00 0.00 C ATOM 324 CG TYR A 22 3.612 0.920 3.860 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.767 0.400 4.457 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.808 0.100 3.066 1.00 0.00 C ATOM 327 CE1 TYR A 22 5.117 -0.940 4.254 1.00 0.00 C ATOM 328 CE2 TYR A 22 3.155 -1.240 2.863 1.00 0.00 C ATOM 329 CZ TYR A 22 4.310 -1.760 3.457 1.00 0.00 C ATOM 330 OH TYR A 22 4.653 -3.083 3.259 1.00 0.00 O ATOM 0 H TYR A 22 2.075 3.115 2.102 1.00 0.00 H new ATOM 0 HA TYR A 22 4.311 4.204 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.462 2.655 5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.148 2.481 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.388 1.033 5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.916 0.501 2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.009 -1.341 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.532 -1.873 2.248 1.00 0.00 H new ATOM 0 HH TYR A 22 3.986 -3.511 2.682 1.00 0.00 H new ATOM 340 N MET A 23 5.076 1.939 1.405 1.00 0.00 N ATOM 341 CA MET A 23 6.263 1.283 0.771 1.00 0.00 C ATOM 342 C MET A 23 6.722 2.059 -0.478 1.00 0.00 C ATOM 343 O MET A 23 7.445 1.534 -1.305 1.00 0.00 O ATOM 344 CB MET A 23 5.779 -0.120 0.387 1.00 0.00 C ATOM 345 CG MET A 23 6.596 -1.172 1.143 1.00 0.00 C ATOM 346 SD MET A 23 8.090 -1.569 0.202 1.00 0.00 S ATOM 347 CE MET A 23 8.615 -2.986 1.198 1.00 0.00 C ATOM 0 H MET A 23 4.190 1.785 0.925 1.00 0.00 H new ATOM 0 HA MET A 23 7.119 1.255 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.721 -0.228 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.881 -0.269 -0.688 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.865 -0.798 2.131 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.999 -2.071 1.294 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.538 -3.397 0.788 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.785 -2.665 2.226 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.838 -3.751 1.180 1.00 0.00 H new ATOM 357 N TYR A 24 6.315 3.300 -0.622 1.00 0.00 N ATOM 358 CA TYR A 24 6.737 4.098 -1.817 1.00 0.00 C ATOM 359 C TYR A 24 7.548 5.332 -1.387 1.00 0.00 C ATOM 360 O TYR A 24 7.616 6.316 -2.101 1.00 0.00 O ATOM 361 CB TYR A 24 5.428 4.520 -2.493 1.00 0.00 C ATOM 362 CG TYR A 24 5.166 3.644 -3.699 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.077 2.254 -3.554 1.00 0.00 C ATOM 364 CD2 TYR A 24 5.011 4.226 -4.962 1.00 0.00 C ATOM 365 CE1 TYR A 24 4.833 1.447 -4.672 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.767 3.421 -6.080 1.00 0.00 C ATOM 367 CZ TYR A 24 4.678 2.030 -5.935 1.00 0.00 C ATOM 368 OH TYR A 24 4.438 1.237 -7.038 1.00 0.00 O ATOM 0 H TYR A 24 5.710 3.793 0.035 1.00 0.00 H new ATOM 0 HA TYR A 24 7.378 3.524 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.601 4.439 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.486 5.565 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.197 1.804 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.080 5.298 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.764 0.375 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.647 3.871 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 24 4.355 1.801 -7.835 1.00 0.00 H new ATOM 378 N GLY A 25 8.167 5.285 -0.228 1.00 0.00 N ATOM 379 CA GLY A 25 8.977 6.449 0.250 1.00 0.00 C ATOM 380 C GLY A 25 8.082 7.685 0.412 1.00 0.00 C ATOM 381 O GLY A 25 8.477 8.788 0.085 1.00 0.00 O ATOM 0 H GLY A 25 8.144 4.487 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.450 6.206 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.777 6.661 -0.459 1.00 0.00 H new ATOM 385 N LEU A 26 6.881 7.513 0.913 1.00 0.00 N ATOM 386 CA LEU A 26 5.966 8.686 1.089 1.00 0.00 C ATOM 387 C LEU A 26 5.529 8.841 2.556 1.00 0.00 C ATOM 388 O LEU A 26 4.720 9.692 2.875 1.00 0.00 O ATOM 389 CB LEU A 26 4.754 8.380 0.203 1.00 0.00 C ATOM 390 CG LEU A 26 5.100 8.663 -1.263 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.122 7.912 -2.171 1.00 0.00 C ATOM 392 CD2 LEU A 26 4.992 10.166 -1.537 1.00 0.00 C ATOM 0 H LEU A 26 6.496 6.615 1.206 1.00 0.00 H new ATOM 0 HA LEU A 26 6.458 9.620 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.459 7.338 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.904 8.989 0.510 1.00 0.00 H new ATOM 0 HG LEU A 26 6.118 8.330 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.367 8.112 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.197 6.842 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.105 8.247 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.239 10.364 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.975 10.501 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.686 10.704 -0.891 1.00 0.00 H new ATOM 404 N SER A 27 6.054 8.038 3.451 1.00 0.00 N ATOM 405 CA SER A 27 5.657 8.159 4.890 1.00 0.00 C ATOM 406 C SER A 27 6.214 9.461 5.493 1.00 0.00 C ATOM 407 O SER A 27 5.452 10.294 5.944 1.00 0.00 O ATOM 408 CB SER A 27 6.245 6.927 5.584 1.00 0.00 C ATOM 409 OG SER A 27 5.328 5.846 5.471 1.00 0.00 O ATOM 0 H SER A 27 6.737 7.308 3.249 1.00 0.00 H new ATOM 0 HA SER A 27 4.575 8.201 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.199 6.659 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.442 7.145 6.634 1.00 0.00 H new ATOM 0 HG SER A 27 5.700 5.054 5.912 1.00 0.00 H new ATOM 415 N PRO A 28 7.525 9.611 5.473 1.00 0.00 N ATOM 416 CA PRO A 28 8.151 10.844 6.022 1.00 0.00 C ATOM 417 C PRO A 28 7.880 12.044 5.102 1.00 0.00 C ATOM 418 O PRO A 28 7.868 13.178 5.540 1.00 0.00 O ATOM 419 CB PRO A 28 9.640 10.508 6.063 1.00 0.00 C ATOM 420 CG PRO A 28 9.826 9.448 5.025 1.00 0.00 C ATOM 421 CD PRO A 28 8.534 8.675 4.950 1.00 0.00 C ATOM 0 HA PRO A 28 7.758 11.122 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.249 11.385 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.937 10.151 7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.067 9.892 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.654 8.790 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.307 8.375 3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.579 7.764 5.546 1.00 0.00 H new ATOM 429 N ALA A 29 7.656 11.795 3.834 1.00 0.00 N ATOM 430 CA ALA A 29 7.378 12.911 2.875 1.00 0.00 C ATOM 431 C ALA A 29 6.065 13.621 3.238 1.00 0.00 C ATOM 432 O ALA A 29 5.943 14.823 3.089 1.00 0.00 O ATOM 433 CB ALA A 29 7.262 12.242 1.503 1.00 0.00 C ATOM 0 H ALA A 29 7.654 10.863 3.420 1.00 0.00 H new ATOM 0 HA ALA A 29 8.162 13.668 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.058 12.999 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.197 11.734 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.449 11.517 1.520 1.00 0.00 H new ATOM 439 N ILE A 30 5.084 12.889 3.714 1.00 0.00 N ATOM 440 CA ILE A 30 3.781 13.525 4.090 1.00 0.00 C ATOM 441 C ILE A 30 3.896 14.192 5.465 1.00 0.00 C ATOM 442 O ILE A 30 3.358 15.259 5.689 1.00 0.00 O ATOM 443 CB ILE A 30 2.760 12.376 4.116 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.508 11.871 2.686 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.438 12.864 4.722 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.968 13.008 1.811 1.00 0.00 C ATOM 0 H ILE A 30 5.130 11.880 3.858 1.00 0.00 H new ATOM 0 HA ILE A 30 3.484 14.305 3.388 1.00 0.00 H new ATOM 0 HB ILE A 30 3.158 11.564 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.434 11.483 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.796 11.046 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.720 12.044 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.611 13.213 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.042 13.682 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.793 12.638 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.031 13.376 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.695 13.820 1.780 1.00 0.00 H new ATOM 458 N THR A 31 4.600 13.577 6.381 1.00 0.00 N ATOM 459 CA THR A 31 4.760 14.178 7.744 1.00 0.00 C ATOM 460 C THR A 31 5.487 15.528 7.640 1.00 0.00 C ATOM 461 O THR A 31 5.157 16.471 8.332 1.00 0.00 O ATOM 462 CB THR A 31 5.600 13.173 8.547 1.00 0.00 C ATOM 463 OG1 THR A 31 5.031 11.871 8.438 1.00 0.00 O ATOM 464 CG2 THR A 31 5.636 13.590 10.020 1.00 0.00 C ATOM 0 H THR A 31 5.072 12.683 6.246 1.00 0.00 H new ATOM 0 HA THR A 31 3.799 14.364 8.223 1.00 0.00 H new ATOM 0 HB THR A 31 6.614 13.159 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.385 11.425 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.233 12.875 10.586 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.080 14.582 10.107 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.621 13.611 10.417 1.00 0.00 H new ATOM 472 N LYS A 32 6.467 15.629 6.772 1.00 0.00 N ATOM 473 CA LYS A 32 7.206 16.922 6.616 1.00 0.00 C ATOM 474 C LYS A 32 6.302 17.973 5.960 1.00 0.00 C ATOM 475 O LYS A 32 6.360 19.145 6.282 1.00 0.00 O ATOM 476 CB LYS A 32 8.405 16.605 5.715 1.00 0.00 C ATOM 477 CG LYS A 32 9.704 16.945 6.449 1.00 0.00 C ATOM 478 CD LYS A 32 9.950 18.456 6.388 1.00 0.00 C ATOM 479 CE LYS A 32 10.920 18.863 7.501 1.00 0.00 C ATOM 480 NZ LYS A 32 10.743 20.337 7.655 1.00 0.00 N ATOM 0 H LYS A 32 6.786 14.873 6.166 1.00 0.00 H new ATOM 0 HA LYS A 32 7.523 17.328 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.397 15.550 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.338 17.177 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.643 16.618 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.540 16.412 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.361 18.729 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.008 18.993 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.695 18.340 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.948 18.615 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.377 20.687 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.972 20.810 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.757 20.543 7.914 1.00 0.00 H new ATOM 494 N TYR A 33 5.464 17.554 5.048 1.00 0.00 N ATOM 495 CA TYR A 33 4.542 18.514 4.365 1.00 0.00 C ATOM 496 C TYR A 33 3.376 18.880 5.296 1.00 0.00 C ATOM 497 O TYR A 33 2.968 20.023 5.368 1.00 0.00 O ATOM 498 CB TYR A 33 4.034 17.766 3.128 1.00 0.00 C ATOM 499 CG TYR A 33 3.144 18.676 2.315 1.00 0.00 C ATOM 500 CD1 TYR A 33 3.710 19.606 1.436 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.753 18.590 2.444 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.885 20.451 0.687 1.00 0.00 C ATOM 503 CE2 TYR A 33 0.928 19.434 1.694 1.00 0.00 C ATOM 504 CZ TYR A 33 1.495 20.366 0.815 1.00 0.00 C ATOM 505 OH TYR A 33 0.680 21.199 0.078 1.00 0.00 O ATOM 0 H TYR A 33 5.377 16.584 4.745 1.00 0.00 H new ATOM 0 HA TYR A 33 5.038 19.447 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.876 17.429 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.482 16.876 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.783 19.671 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.317 17.872 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.322 21.170 0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.145 19.367 1.792 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.258 21.007 0.287 1.00 0.00 H new ATOM 515 N VAL A 34 2.842 17.917 6.007 1.00 0.00 N ATOM 516 CA VAL A 34 1.706 18.202 6.936 1.00 0.00 C ATOM 517 C VAL A 34 2.232 18.355 8.371 1.00 0.00 C ATOM 518 O VAL A 34 2.146 17.448 9.177 1.00 0.00 O ATOM 519 CB VAL A 34 0.774 16.987 6.819 1.00 0.00 C ATOM 520 CG1 VAL A 34 -0.476 17.206 7.676 1.00 0.00 C ATOM 521 CG2 VAL A 34 0.354 16.797 5.358 1.00 0.00 C ATOM 0 H VAL A 34 3.145 16.943 5.983 1.00 0.00 H new ATOM 0 HA VAL A 34 1.186 19.127 6.688 1.00 0.00 H new ATOM 0 HB VAL A 34 1.303 16.100 7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.133 16.341 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.184 17.337 8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.002 18.097 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.307 15.934 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.169 17.688 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.239 16.634 4.743 1.00 0.00 H new ATOM 531 N VAL A 35 2.784 19.498 8.687 1.00 0.00 N ATOM 532 CA VAL A 35 3.325 19.721 10.066 1.00 0.00 C ATOM 533 C VAL A 35 2.970 21.134 10.577 1.00 0.00 C ATOM 534 O VAL A 35 3.565 21.628 11.517 1.00 0.00 O ATOM 535 CB VAL A 35 4.844 19.545 9.916 1.00 0.00 C ATOM 536 CG1 VAL A 35 5.460 20.787 9.263 1.00 0.00 C ATOM 537 CG2 VAL A 35 5.475 19.325 11.294 1.00 0.00 C ATOM 0 H VAL A 35 2.885 20.289 8.051 1.00 0.00 H new ATOM 0 HA VAL A 35 2.903 19.029 10.795 1.00 0.00 H new ATOM 0 HB VAL A 35 5.038 18.679 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.537 20.649 9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.020 20.936 8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.262 21.661 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.552 19.200 11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.272 20.187 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.051 18.431 11.750 1.00 0.00 H new ATOM 547 N ARG A 36 2.003 21.780 9.970 1.00 0.00 N ATOM 548 CA ARG A 36 1.612 23.151 10.420 1.00 0.00 C ATOM 549 C ARG A 36 0.213 23.126 11.049 1.00 0.00 C ATOM 550 O ARG A 36 -0.748 22.952 10.315 1.00 0.00 O ATOM 551 CB ARG A 36 1.624 24.009 9.149 1.00 0.00 C ATOM 552 CG ARG A 36 3.062 24.415 8.814 1.00 0.00 C ATOM 553 CD ARG A 36 3.152 24.821 7.339 1.00 0.00 C ATOM 554 NE ARG A 36 2.548 26.184 7.270 1.00 0.00 N ATOM 555 CZ ARG A 36 1.718 26.484 6.307 1.00 0.00 C ATOM 556 NH1 ARG A 36 2.175 26.937 5.169 1.00 0.00 N ATOM 557 NH2 ARG A 36 0.431 26.330 6.484 1.00 0.00 N ATOM 558 OXT ARG A 36 0.128 23.280 12.255 1.00 0.00 O ATOM 0 H ARG A 36 1.468 21.415 9.182 1.00 0.00 H new ATOM 0 HA ARG A 36 2.289 23.545 11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.190 23.452 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.009 24.897 9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.374 25.244 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.741 23.586 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.187 24.831 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.612 24.119 6.704 1.00 0.00 H new ATOM 0 HE ARG A 36 2.784 26.882 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.179 27.056 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.528 27.171 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.077 25.976 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.219 26.564 5.733 1.00 0.00 H new TER 572 ARG A 36