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+ 146:sc= 0.0788 (180deg=0.00264) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= -0.876 USER MOD Single : A 12 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.28) USER MOD Single : A 14 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-3.9!) USER MOD Single : A 15 GLN : amide:sc= 0.552 K(o=0.55,f=-0.029) USER MOD Single : A 16 ASN : amide:sc=-0.00854 X(o=-0.0085,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.53) 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 -89:sc= -1.13 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 -25.027 -8.747 11.252 1.00 0.00 N ATOM 2 CA SER A 1 -25.590 -8.463 9.898 1.00 0.00 C ATOM 3 C SER A 1 -24.476 -8.010 8.948 1.00 0.00 C ATOM 4 O SER A 1 -23.981 -6.902 9.045 1.00 0.00 O ATOM 5 CB SER A 1 -26.607 -7.339 10.112 1.00 0.00 C ATOM 6 OG SER A 1 -27.584 -7.761 11.055 1.00 0.00 O ATOM 0 H1 SER A 1 -25.725 -8.491 11.979 1.00 0.00 H new ATOM 0 H2 SER A 1 -24.802 -9.759 11.329 1.00 0.00 H new ATOM 0 H3 SER A 1 -24.161 -8.188 11.392 1.00 0.00 H new ATOM 0 HA SER A 1 -26.051 -9.344 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 1 -26.104 -6.441 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 1 -27.085 -7.081 9.167 1.00 0.00 H new ATOM 0 HG SER A 1 -28.235 -7.042 11.195 1.00 0.00 H new ATOM 11 N ASP A 2 -24.077 -8.859 8.035 1.00 0.00 N ATOM 12 CA ASP A 2 -22.992 -8.478 7.082 1.00 0.00 C ATOM 13 C ASP A 2 -23.449 -8.677 5.630 1.00 0.00 C ATOM 14 O ASP A 2 -22.682 -9.085 4.778 1.00 0.00 O ATOM 15 CB ASP A 2 -21.824 -9.409 7.422 1.00 0.00 C ATOM 16 CG ASP A 2 -20.709 -8.598 8.084 1.00 0.00 C ATOM 17 OD1 ASP A 2 -19.975 -7.941 7.366 1.00 0.00 O ATOM 18 OD2 ASP A 2 -20.615 -8.645 9.300 1.00 0.00 O ATOM 0 H ASP A 2 -24.455 -9.798 7.909 1.00 0.00 H new ATOM 0 HA ASP A 2 -22.715 -7.428 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -22.159 -10.202 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -21.452 -9.890 6.517 1.00 0.00 H new ATOM 23 N LEU A 3 -24.691 -8.379 5.339 1.00 0.00 N ATOM 24 CA LEU A 3 -25.191 -8.537 3.938 1.00 0.00 C ATOM 25 C LEU A 3 -24.571 -7.459 3.033 1.00 0.00 C ATOM 26 O LEU A 3 -23.980 -7.781 2.020 1.00 0.00 O ATOM 27 CB LEU A 3 -26.717 -8.381 4.020 1.00 0.00 C ATOM 28 CG LEU A 3 -27.401 -9.733 3.779 1.00 0.00 C ATOM 29 CD1 LEU A 3 -27.015 -10.273 2.398 1.00 0.00 C ATOM 30 CD2 LEU A 3 -26.966 -10.732 4.856 1.00 0.00 C ATOM 0 H LEU A 3 -25.379 -8.034 6.009 1.00 0.00 H new ATOM 0 HA LEU A 3 -24.919 -9.502 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -26.998 -7.992 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.056 -7.656 3.280 1.00 0.00 H new ATOM 0 HG LEU A 3 -28.482 -9.597 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -27.504 -11.233 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -27.332 -9.568 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -25.934 -10.403 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -27.454 -11.691 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -25.885 -10.863 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -27.250 -10.354 5.838 1.00 0.00 H new ATOM 42 N PRO A 4 -24.711 -6.207 3.428 1.00 0.00 N ATOM 43 CA PRO A 4 -24.139 -5.093 2.637 1.00 0.00 C ATOM 44 C PRO A 4 -22.671 -4.821 3.031 1.00 0.00 C ATOM 45 O PRO A 4 -22.133 -3.775 2.722 1.00 0.00 O ATOM 46 CB PRO A 4 -25.024 -3.909 3.015 1.00 0.00 C ATOM 47 CG PRO A 4 -25.577 -4.228 4.374 1.00 0.00 C ATOM 48 CD PRO A 4 -25.411 -5.711 4.620 1.00 0.00 C ATOM 0 HA PRO A 4 -24.123 -5.299 1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -24.450 -2.982 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -25.826 -3.773 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -25.054 -3.655 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -26.629 -3.950 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -24.835 -5.901 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -26.376 -6.202 4.747 1.00 0.00 H new ATOM 56 N ALA A 5 -22.026 -5.751 3.710 1.00 0.00 N ATOM 57 CA ALA A 5 -20.594 -5.558 4.132 1.00 0.00 C ATOM 58 C ALA A 5 -20.427 -4.319 5.036 1.00 0.00 C ATOM 59 O ALA A 5 -19.328 -3.831 5.223 1.00 0.00 O ATOM 60 CB ALA A 5 -19.806 -5.384 2.829 1.00 0.00 C ATOM 0 H ALA A 5 -22.435 -6.642 3.991 1.00 0.00 H new ATOM 0 HA ALA A 5 -20.240 -6.406 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.751 -5.238 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.923 -6.274 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.183 -4.516 2.289 1.00 0.00 H new ATOM 66 N LEU A 6 -21.503 -3.818 5.606 1.00 0.00 N ATOM 67 CA LEU A 6 -21.419 -2.618 6.508 1.00 0.00 C ATOM 68 C LEU A 6 -20.657 -1.455 5.843 1.00 0.00 C ATOM 69 O LEU A 6 -19.904 -0.753 6.491 1.00 0.00 O ATOM 70 CB LEU A 6 -20.678 -3.108 7.756 1.00 0.00 C ATOM 71 CG LEU A 6 -21.659 -3.825 8.689 1.00 0.00 C ATOM 72 CD1 LEU A 6 -21.117 -5.213 9.034 1.00 0.00 C ATOM 73 CD2 LEU A 6 -21.829 -3.010 9.975 1.00 0.00 C ATOM 0 H LEU A 6 -22.444 -4.193 5.484 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.410 -2.228 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -19.872 -3.784 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -20.219 -2.265 8.273 1.00 0.00 H new ATOM 0 HG LEU A 6 -22.623 -3.926 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.816 -5.722 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.996 -5.794 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.152 -5.114 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -22.527 -3.520 10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.864 -2.908 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.217 -2.021 9.730 1.00 0.00 H new ATOM 85 N SER A 7 -20.860 -1.244 4.560 1.00 0.00 N ATOM 86 CA SER A 7 -20.167 -0.123 3.839 1.00 0.00 C ATOM 87 C SER A 7 -18.640 -0.223 3.993 1.00 0.00 C ATOM 88 O SER A 7 -18.028 0.505 4.755 1.00 0.00 O ATOM 89 CB SER A 7 -20.699 1.163 4.483 1.00 0.00 C ATOM 90 OG SER A 7 -20.111 2.291 3.844 1.00 0.00 O ATOM 0 H SER A 7 -21.481 -1.805 3.977 1.00 0.00 H new ATOM 0 HA SER A 7 -20.365 -0.152 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.784 1.205 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.467 1.172 5.548 1.00 0.00 H new ATOM 0 HG SER A 7 -20.452 3.113 4.254 1.00 0.00 H new ATOM 96 N THR A 8 -18.022 -1.118 3.265 1.00 0.00 N ATOM 97 CA THR A 8 -16.534 -1.272 3.355 1.00 0.00 C ATOM 98 C THR A 8 -15.862 -0.960 2.006 1.00 0.00 C ATOM 99 O THR A 8 -14.720 -1.318 1.783 1.00 0.00 O ATOM 100 CB THR A 8 -16.305 -2.740 3.742 1.00 0.00 C ATOM 101 OG1 THR A 8 -17.249 -3.566 3.071 1.00 0.00 O ATOM 102 CG2 THR A 8 -16.464 -2.905 5.255 1.00 0.00 C ATOM 0 H THR A 8 -18.482 -1.751 2.611 1.00 0.00 H new ATOM 0 HA THR A 8 -16.103 -0.582 4.080 1.00 0.00 H new ATOM 0 HB THR A 8 -15.297 -3.034 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.809 -4.388 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.301 -3.948 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.735 -2.278 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.470 -2.606 5.550 1.00 0.00 H new ATOM 110 N GLY A 9 -16.552 -0.295 1.107 1.00 0.00 N ATOM 111 CA GLY A 9 -15.944 0.035 -0.219 1.00 0.00 C ATOM 112 C GLY A 9 -14.769 0.998 -0.021 1.00 0.00 C ATOM 113 O GLY A 9 -13.628 0.653 -0.262 1.00 0.00 O ATOM 0 H GLY A 9 -17.509 0.032 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.602 -0.876 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.692 0.487 -0.871 1.00 0.00 H new ATOM 117 N LEU A 10 -15.046 2.202 0.426 1.00 0.00 N ATOM 118 CA LEU A 10 -13.950 3.200 0.654 1.00 0.00 C ATOM 119 C LEU A 10 -12.930 2.647 1.659 1.00 0.00 C ATOM 120 O LEU A 10 -11.744 2.891 1.541 1.00 0.00 O ATOM 121 CB LEU A 10 -14.647 4.442 1.223 1.00 0.00 C ATOM 122 CG LEU A 10 -13.967 5.706 0.689 1.00 0.00 C ATOM 123 CD1 LEU A 10 -15.007 6.818 0.532 1.00 0.00 C ATOM 124 CD2 LEU A 10 -12.885 6.160 1.672 1.00 0.00 C ATOM 0 H LEU A 10 -15.985 2.537 0.643 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.404 3.426 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.701 4.439 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.605 4.427 2.312 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.513 5.491 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.523 7.718 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.779 6.498 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.461 7.031 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.402 7.060 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.339 6.374 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.143 5.370 1.786 1.00 0.00 H new ATOM 136 N LEU A 11 -13.382 1.897 2.639 1.00 0.00 N ATOM 137 CA LEU A 11 -12.438 1.316 3.647 1.00 0.00 C ATOM 138 C LEU A 11 -11.373 0.466 2.939 1.00 0.00 C ATOM 139 O LEU A 11 -10.193 0.581 3.214 1.00 0.00 O ATOM 140 CB LEU A 11 -13.311 0.442 4.556 1.00 0.00 C ATOM 141 CG LEU A 11 -12.569 0.159 5.866 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.570 0.128 7.023 1.00 0.00 C ATOM 143 CD2 LEU A 11 -11.859 -1.195 5.772 1.00 0.00 C ATOM 0 H LEU A 11 -14.364 1.663 2.783 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.910 2.084 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.255 0.945 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.552 -0.495 4.054 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.833 0.944 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.042 -0.073 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.075 1.091 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.306 -0.656 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.332 -1.395 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.594 -1.980 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.145 -1.175 4.949 1.00 0.00 H new ATOM 155 N HIS A 12 -11.785 -0.377 2.020 1.00 0.00 N ATOM 156 CA HIS A 12 -10.802 -1.230 1.279 1.00 0.00 C ATOM 157 C HIS A 12 -9.937 -0.354 0.364 1.00 0.00 C ATOM 158 O HIS A 12 -8.735 -0.525 0.287 1.00 0.00 O ATOM 159 CB HIS A 12 -11.651 -2.200 0.450 1.00 0.00 C ATOM 160 CG HIS A 12 -12.007 -3.401 1.285 1.00 0.00 C ATOM 161 ND1 HIS A 12 -11.049 -4.153 1.948 1.00 0.00 N ATOM 162 CD2 HIS A 12 -13.212 -3.991 1.574 1.00 0.00 C ATOM 163 CE1 HIS A 12 -11.689 -5.144 2.597 1.00 0.00 C ATOM 164 NE2 HIS A 12 -13.009 -5.091 2.402 1.00 0.00 N ATOM 0 H HIS A 12 -12.760 -0.510 1.752 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.127 -1.760 1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.558 -1.702 0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.102 -2.512 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.172 -3.653 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.195 -5.890 3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.717 -5.721 2.779 1.00 0.00 H new ATOM 172 N LEU A 13 -10.543 0.592 -0.316 1.00 0.00 N ATOM 173 CA LEU A 13 -9.760 1.497 -1.216 1.00 0.00 C ATOM 174 C LEU A 13 -8.714 2.264 -0.398 1.00 0.00 C ATOM 175 O LEU A 13 -7.595 2.465 -0.836 1.00 0.00 O ATOM 176 CB LEU A 13 -10.791 2.460 -1.817 1.00 0.00 C ATOM 177 CG LEU A 13 -10.838 2.277 -3.337 1.00 0.00 C ATOM 178 CD1 LEU A 13 -11.926 1.260 -3.697 1.00 0.00 C ATOM 179 CD2 LEU A 13 -11.157 3.618 -4.003 1.00 0.00 C ATOM 0 H LEU A 13 -11.546 0.776 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.224 0.950 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.775 2.271 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.529 3.489 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.871 1.916 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.959 1.130 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.702 0.304 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.892 1.621 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.191 3.488 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.123 3.978 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.384 4.344 -3.748 1.00 0.00 H new ATOM 191 N HIS A 14 -9.071 2.679 0.795 1.00 0.00 N ATOM 192 CA HIS A 14 -8.104 3.420 1.663 1.00 0.00 C ATOM 193 C HIS A 14 -6.925 2.504 2.020 1.00 0.00 C ATOM 194 O HIS A 14 -5.779 2.854 1.820 1.00 0.00 O ATOM 195 CB HIS A 14 -8.904 3.801 2.917 1.00 0.00 C ATOM 196 CG HIS A 14 -7.972 4.310 3.984 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.476 5.603 3.976 1.00 0.00 N ATOM 198 CD2 HIS A 14 -7.436 3.709 5.095 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.679 5.738 5.053 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.620 4.612 5.769 1.00 0.00 N ATOM 0 H HIS A 14 -9.994 2.535 1.205 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.687 4.300 1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.641 4.565 2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.454 2.935 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.620 2.689 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.152 6.646 5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.091 4.449 6.626 1.00 0.00 H new ATOM 208 N GLN A 15 -7.208 1.330 2.539 1.00 0.00 N ATOM 209 CA GLN A 15 -6.114 0.375 2.905 1.00 0.00 C ATOM 210 C GLN A 15 -5.205 0.123 1.694 1.00 0.00 C ATOM 211 O GLN A 15 -4.001 0.031 1.825 1.00 0.00 O ATOM 212 CB GLN A 15 -6.834 -0.913 3.320 1.00 0.00 C ATOM 213 CG GLN A 15 -5.854 -1.850 4.035 1.00 0.00 C ATOM 214 CD GLN A 15 -5.783 -1.491 5.523 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.752 -1.635 6.242 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.666 -1.030 6.019 1.00 0.00 N ATOM 0 H GLN A 15 -8.153 0.993 2.725 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.478 0.759 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.671 -0.677 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.249 -1.408 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.174 -2.885 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.865 -1.769 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.852 -0.909 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.608 -0.791 7.009 1.00 0.00 H new ATOM 225 N ASN A 16 -5.778 0.020 0.517 1.00 0.00 N ATOM 226 CA ASN A 16 -4.956 -0.216 -0.713 1.00 0.00 C ATOM 227 C ASN A 16 -3.922 0.906 -0.887 1.00 0.00 C ATOM 228 O ASN A 16 -2.754 0.651 -1.097 1.00 0.00 O ATOM 229 CB ASN A 16 -5.962 -0.207 -1.869 1.00 0.00 C ATOM 230 CG ASN A 16 -5.338 -0.865 -3.100 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.588 -2.021 -3.377 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.527 -0.174 -3.857 1.00 0.00 N ATOM 0 H ASN A 16 -6.783 0.090 0.356 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.399 -1.152 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.868 -0.740 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.255 0.817 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.105 -0.606 -4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.316 0.797 -3.626 1.00 0.00 H new ATOM 239 N ILE A 17 -4.346 2.142 -0.796 1.00 0.00 N ATOM 240 CA ILE A 17 -3.385 3.284 -0.950 1.00 0.00 C ATOM 241 C ILE A 17 -2.474 3.383 0.286 1.00 0.00 C ATOM 242 O ILE A 17 -1.319 3.750 0.185 1.00 0.00 O ATOM 243 CB ILE A 17 -4.270 4.533 -1.085 1.00 0.00 C ATOM 244 CG1 ILE A 17 -4.963 4.520 -2.452 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.412 5.797 -0.967 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.267 5.316 -2.376 1.00 0.00 C ATOM 0 H ILE A 17 -5.314 2.412 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.728 3.162 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.017 4.529 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.306 4.951 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.169 3.494 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.047 6.678 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.917 5.811 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.661 5.802 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.757 5.305 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.925 4.866 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.049 6.345 -2.091 1.00 0.00 H new ATOM 258 N VAL A 18 -2.989 3.051 1.446 1.00 0.00 N ATOM 259 CA VAL A 18 -2.161 3.118 2.696 1.00 0.00 C ATOM 260 C VAL A 18 -1.174 1.940 2.770 1.00 0.00 C ATOM 261 O VAL A 18 -0.283 1.922 3.601 1.00 0.00 O ATOM 262 CB VAL A 18 -3.173 3.052 3.847 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.439 2.960 5.189 1.00 0.00 C ATOM 264 CG2 VAL A 18 -4.044 4.312 3.837 1.00 0.00 C ATOM 0 H VAL A 18 -3.949 2.736 1.583 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.556 4.024 2.733 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.798 2.169 3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.167 2.914 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.821 2.062 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.807 3.838 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.763 4.264 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.412 5.192 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.578 4.378 2.889 1.00 0.00 H new ATOM 274 N ASP A 19 -1.316 0.959 1.916 1.00 0.00 N ATOM 275 CA ASP A 19 -0.379 -0.206 1.948 1.00 0.00 C ATOM 276 C ASP A 19 0.516 -0.218 0.696 1.00 0.00 C ATOM 277 O ASP A 19 1.073 -1.238 0.335 1.00 0.00 O ATOM 278 CB ASP A 19 -1.280 -1.444 1.988 1.00 0.00 C ATOM 279 CG ASP A 19 -1.557 -1.831 3.444 1.00 0.00 C ATOM 280 OD1 ASP A 19 -2.495 -1.294 4.013 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.827 -2.658 3.966 1.00 0.00 O ATOM 0 H ASP A 19 -2.039 0.914 1.198 1.00 0.00 H new ATOM 0 HA ASP A 19 0.293 -0.167 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.218 -1.241 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.801 -2.272 1.466 1.00 0.00 H new ATOM 286 N VAL A 20 0.667 0.908 0.037 1.00 0.00 N ATOM 287 CA VAL A 20 1.534 0.964 -1.182 1.00 0.00 C ATOM 288 C VAL A 20 2.665 1.970 -0.965 1.00 0.00 C ATOM 289 O VAL A 20 3.829 1.653 -1.103 1.00 0.00 O ATOM 290 CB VAL A 20 0.610 1.422 -2.318 1.00 0.00 C ATOM 291 CG1 VAL A 20 1.436 1.707 -3.577 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.405 0.321 -2.622 1.00 0.00 C ATOM 0 H VAL A 20 0.226 1.791 0.292 1.00 0.00 H new ATOM 0 HA VAL A 20 1.996 0.003 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 20 0.090 2.330 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.775 2.032 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.163 2.492 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.959 0.801 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.062 0.645 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.120 -0.585 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.998 0.117 -1.731 1.00 0.00 H new ATOM 302 N GLN A 21 2.320 3.177 -0.616 1.00 0.00 N ATOM 303 CA GLN A 21 3.357 4.226 -0.374 1.00 0.00 C ATOM 304 C GLN A 21 3.928 4.096 1.046 1.00 0.00 C ATOM 305 O GLN A 21 4.962 4.656 1.359 1.00 0.00 O ATOM 306 CB GLN A 21 2.616 5.560 -0.517 1.00 0.00 C ATOM 307 CG GLN A 21 2.017 5.683 -1.923 1.00 0.00 C ATOM 308 CD GLN A 21 0.805 6.620 -1.887 1.00 0.00 C ATOM 309 OE1 GLN A 21 -0.042 6.508 -1.022 1.00 0.00 O ATOM 310 NE2 GLN A 21 0.684 7.547 -2.796 1.00 0.00 N ATOM 0 H GLN A 21 1.357 3.487 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 21 4.193 4.139 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.826 5.628 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.301 6.387 -0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.766 6.067 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.719 4.701 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.393 7.644 -3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.119 8.175 -2.780 1.00 0.00 H new ATOM 319 N TYR A 22 3.252 3.375 1.908 1.00 0.00 N ATOM 320 CA TYR A 22 3.731 3.219 3.315 1.00 0.00 C ATOM 321 C TYR A 22 4.256 1.797 3.545 1.00 0.00 C ATOM 322 O TYR A 22 5.314 1.607 4.112 1.00 0.00 O ATOM 323 CB TYR A 22 2.494 3.489 4.188 1.00 0.00 C ATOM 324 CG TYR A 22 1.781 4.736 3.700 1.00 0.00 C ATOM 325 CD1 TYR A 22 0.783 4.631 2.723 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.124 5.990 4.215 1.00 0.00 C ATOM 327 CE1 TYR A 22 0.128 5.777 2.262 1.00 0.00 C ATOM 328 CE2 TYR A 22 1.467 7.138 3.754 1.00 0.00 C ATOM 329 CZ TYR A 22 0.470 7.033 2.777 1.00 0.00 C ATOM 330 OH TYR A 22 -0.176 8.165 2.323 1.00 0.00 O ATOM 0 H TYR A 22 2.383 2.885 1.694 1.00 0.00 H new ATOM 0 HA TYR A 22 4.551 3.898 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.818 2.635 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.793 3.614 5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.519 3.663 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.894 6.073 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.642 5.693 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.730 8.106 4.153 1.00 0.00 H new ATOM 0 HH TYR A 22 0.181 8.953 2.784 1.00 0.00 H new ATOM 340 N MET A 23 3.523 0.800 3.108 1.00 0.00 N ATOM 341 CA MET A 23 3.980 -0.612 3.300 1.00 0.00 C ATOM 342 C MET A 23 5.222 -0.900 2.446 1.00 0.00 C ATOM 343 O MET A 23 6.065 -1.692 2.823 1.00 0.00 O ATOM 344 CB MET A 23 2.806 -1.487 2.852 1.00 0.00 C ATOM 345 CG MET A 23 2.589 -2.614 3.864 1.00 0.00 C ATOM 346 SD MET A 23 3.097 -4.191 3.133 1.00 0.00 S ATOM 347 CE MET A 23 1.447 -4.922 2.996 1.00 0.00 C ATOM 0 H MET A 23 2.629 0.904 2.627 1.00 0.00 H new ATOM 0 HA MET A 23 4.258 -0.807 4.336 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.902 -0.884 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.006 -1.904 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.164 -2.419 4.770 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.540 -2.658 4.156 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.525 -5.918 2.560 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.997 -4.994 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.823 -4.295 2.359 1.00 0.00 H new ATOM 357 N TYR A 24 5.351 -0.261 1.306 1.00 0.00 N ATOM 358 CA TYR A 24 6.550 -0.502 0.443 1.00 0.00 C ATOM 359 C TYR A 24 7.674 0.481 0.807 1.00 0.00 C ATOM 360 O TYR A 24 8.343 1.024 -0.052 1.00 0.00 O ATOM 361 CB TYR A 24 6.063 -0.273 -0.993 1.00 0.00 C ATOM 362 CG TYR A 24 6.417 -1.471 -1.843 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.585 -2.597 -1.846 1.00 0.00 C ATOM 364 CD2 TYR A 24 7.577 -1.455 -2.628 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.913 -3.708 -2.632 1.00 0.00 C ATOM 366 CE2 TYR A 24 7.904 -2.565 -3.415 1.00 0.00 C ATOM 367 CZ TYR A 24 7.072 -3.691 -3.417 1.00 0.00 C ATOM 368 OH TYR A 24 7.395 -4.786 -4.192 1.00 0.00 O ATOM 0 H TYR A 24 4.680 0.414 0.938 1.00 0.00 H new ATOM 0 HA TYR A 24 6.959 -1.504 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.985 -0.114 -1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.521 0.626 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.690 -2.608 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.219 -0.586 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.272 -4.578 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.798 -2.553 -4.021 1.00 0.00 H new ATOM 0 HH TYR A 24 8.229 -4.610 -4.676 1.00 0.00 H new ATOM 378 N GLY A 25 7.886 0.702 2.081 1.00 0.00 N ATOM 379 CA GLY A 25 8.964 1.637 2.523 1.00 0.00 C ATOM 380 C GLY A 25 9.340 1.327 3.977 1.00 0.00 C ATOM 381 O GLY A 25 9.470 2.217 4.797 1.00 0.00 O ATOM 0 H GLY A 25 7.354 0.271 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.838 1.533 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.624 2.669 2.435 1.00 0.00 H new ATOM 385 N LEU A 26 9.516 0.068 4.301 1.00 0.00 N ATOM 386 CA LEU A 26 9.881 -0.307 5.702 1.00 0.00 C ATOM 387 C LEU A 26 11.347 -0.764 5.784 1.00 0.00 C ATOM 388 O LEU A 26 11.748 -1.404 6.739 1.00 0.00 O ATOM 389 CB LEU A 26 8.936 -1.459 6.062 1.00 0.00 C ATOM 390 CG LEU A 26 7.789 -0.933 6.931 1.00 0.00 C ATOM 391 CD1 LEU A 26 6.723 -0.289 6.043 1.00 0.00 C ATOM 392 CD2 LEU A 26 7.167 -2.095 7.709 1.00 0.00 C ATOM 0 H LEU A 26 9.422 -0.716 3.655 1.00 0.00 H new ATOM 0 HA LEU A 26 9.783 0.535 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.539 -1.913 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.482 -2.237 6.595 1.00 0.00 H new ATOM 0 HG LEU A 26 8.176 -0.190 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.909 0.084 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.164 0.539 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.336 -1.030 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.351 -1.723 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.783 -2.837 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.924 -2.554 8.345 1.00 0.00 H new ATOM 404 N SER A 27 12.151 -0.432 4.798 1.00 0.00 N ATOM 405 CA SER A 27 13.592 -0.840 4.828 1.00 0.00 C ATOM 406 C SER A 27 14.272 -0.322 6.108 1.00 0.00 C ATOM 407 O SER A 27 14.869 -1.095 6.832 1.00 0.00 O ATOM 408 CB SER A 27 14.223 -0.210 3.582 1.00 0.00 C ATOM 409 OG SER A 27 14.225 -1.160 2.525 1.00 0.00 O ATOM 0 H SER A 27 11.871 0.103 3.976 1.00 0.00 H new ATOM 0 HA SER A 27 13.707 -1.924 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.664 0.678 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.242 0.112 3.799 1.00 0.00 H new ATOM 0 HG SER A 27 14.627 -0.759 1.726 1.00 0.00 H new ATOM 415 N PRO A 28 14.152 0.968 6.360 1.00 0.00 N ATOM 416 CA PRO A 28 14.761 1.562 7.581 1.00 0.00 C ATOM 417 C PRO A 28 13.990 1.134 8.838 1.00 0.00 C ATOM 418 O PRO A 28 14.540 1.076 9.922 1.00 0.00 O ATOM 419 CB PRO A 28 14.645 3.067 7.350 1.00 0.00 C ATOM 420 CG PRO A 28 13.499 3.226 6.402 1.00 0.00 C ATOM 421 CD PRO A 28 13.453 1.984 5.552 1.00 0.00 C ATOM 0 HA PRO A 28 15.790 1.241 7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.460 3.597 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.565 3.474 6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.564 3.355 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.632 4.113 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.427 1.686 5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.947 2.139 4.593 1.00 0.00 H new ATOM 429 N ALA A 29 12.725 0.830 8.696 1.00 0.00 N ATOM 430 CA ALA A 29 11.913 0.399 9.876 1.00 0.00 C ATOM 431 C ALA A 29 12.333 -1.004 10.334 1.00 0.00 C ATOM 432 O ALA A 29 12.303 -1.310 11.509 1.00 0.00 O ATOM 433 CB ALA A 29 10.462 0.392 9.387 1.00 0.00 C ATOM 0 H ALA A 29 12.218 0.862 7.812 1.00 0.00 H new ATOM 0 HA ALA A 29 12.051 1.063 10.729 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.805 0.085 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.185 1.393 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.361 -0.306 8.556 1.00 0.00 H new ATOM 439 N ILE A 30 12.726 -1.857 9.418 1.00 0.00 N ATOM 440 CA ILE A 30 13.150 -3.239 9.811 1.00 0.00 C ATOM 441 C ILE A 30 14.634 -3.263 10.230 1.00 0.00 C ATOM 442 O ILE A 30 15.111 -4.239 10.776 1.00 0.00 O ATOM 443 CB ILE A 30 12.888 -4.104 8.559 1.00 0.00 C ATOM 444 CG1 ILE A 30 12.165 -5.398 8.966 1.00 0.00 C ATOM 445 CG2 ILE A 30 14.203 -4.451 7.844 1.00 0.00 C ATOM 446 CD1 ILE A 30 13.054 -6.234 9.894 1.00 0.00 C ATOM 0 H ILE A 30 12.772 -1.657 8.419 1.00 0.00 H new ATOM 0 HA ILE A 30 12.601 -3.613 10.675 1.00 0.00 H new ATOM 0 HB ILE A 30 12.263 -3.533 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.228 -5.157 9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.910 -5.976 8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.990 -5.061 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.703 -3.533 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.851 -5.006 8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.530 -7.147 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.979 -6.491 9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.286 -5.659 10.790 1.00 0.00 H new ATOM 458 N THR A 31 15.363 -2.201 9.984 1.00 0.00 N ATOM 459 CA THR A 31 16.810 -2.169 10.374 1.00 0.00 C ATOM 460 C THR A 31 17.003 -1.354 11.661 1.00 0.00 C ATOM 461 O THR A 31 17.794 -1.713 12.514 1.00 0.00 O ATOM 462 CB THR A 31 17.536 -1.500 9.198 1.00 0.00 C ATOM 463 OG1 THR A 31 16.871 -0.291 8.854 1.00 0.00 O ATOM 464 CG2 THR A 31 17.544 -2.442 7.991 1.00 0.00 C ATOM 0 H THR A 31 15.019 -1.355 9.530 1.00 0.00 H new ATOM 0 HA THR A 31 17.198 -3.168 10.573 1.00 0.00 H new ATOM 0 HB THR A 31 18.563 -1.279 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.174 -0.478 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.060 -1.963 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 31 18.059 -3.366 8.254 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.518 -2.669 7.700 1.00 0.00 H new ATOM 472 N LYS A 32 16.284 -0.265 11.810 1.00 0.00 N ATOM 473 CA LYS A 32 16.424 0.573 13.046 1.00 0.00 C ATOM 474 C LYS A 32 15.436 0.108 14.129 1.00 0.00 C ATOM 475 O LYS A 32 14.862 0.912 14.842 1.00 0.00 O ATOM 476 CB LYS A 32 16.101 2.002 12.592 1.00 0.00 C ATOM 477 CG LYS A 32 17.107 2.980 13.207 1.00 0.00 C ATOM 478 CD LYS A 32 18.215 3.285 12.194 1.00 0.00 C ATOM 479 CE LYS A 32 18.667 4.742 12.348 1.00 0.00 C ATOM 480 NZ LYS A 32 19.542 5.009 11.170 1.00 0.00 N ATOM 0 H LYS A 32 15.607 0.080 11.130 1.00 0.00 H new ATOM 0 HA LYS A 32 17.420 0.499 13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.137 2.065 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.088 2.269 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.602 3.902 13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.537 2.553 14.113 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.059 2.613 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.853 3.111 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.813 5.419 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.209 4.889 13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.888 5.989 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.351 4.355 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.998 4.869 10.295 1.00 0.00 H new ATOM 494 N TYR A 33 15.241 -1.181 14.261 1.00 0.00 N ATOM 495 CA TYR A 33 14.296 -1.707 15.294 1.00 0.00 C ATOM 496 C TYR A 33 14.764 -3.087 15.775 1.00 0.00 C ATOM 497 O TYR A 33 14.867 -3.339 16.962 1.00 0.00 O ATOM 498 CB TYR A 33 12.944 -1.820 14.581 1.00 0.00 C ATOM 499 CG TYR A 33 12.086 -0.624 14.923 1.00 0.00 C ATOM 500 CD1 TYR A 33 11.379 -0.592 16.132 1.00 0.00 C ATOM 501 CD2 TYR A 33 11.993 0.452 14.030 1.00 0.00 C ATOM 502 CE1 TYR A 33 10.583 0.515 16.447 1.00 0.00 C ATOM 503 CE2 TYR A 33 11.198 1.558 14.346 1.00 0.00 C ATOM 504 CZ TYR A 33 10.493 1.591 15.555 1.00 0.00 C ATOM 505 OH TYR A 33 9.707 2.682 15.866 1.00 0.00 O ATOM 0 H TYR A 33 15.698 -1.895 13.694 1.00 0.00 H new ATOM 0 HA TYR A 33 14.239 -1.061 16.170 1.00 0.00 H new ATOM 0 HB2 TYR A 33 13.094 -1.876 13.503 1.00 0.00 H new ATOM 0 HB3 TYR A 33 12.440 -2.739 14.880 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.448 -1.421 16.821 1.00 0.00 H new ATOM 0 HD2 TYR A 33 12.536 0.427 13.097 1.00 0.00 H new ATOM 0 HE1 TYR A 33 10.038 0.540 17.379 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.128 2.387 13.657 1.00 0.00 H new ATOM 0 HH TYR A 33 9.757 3.339 15.140 1.00 0.00 H new ATOM 515 N VAL A 34 15.049 -3.977 14.853 1.00 0.00 N ATOM 516 CA VAL A 34 15.515 -5.344 15.240 1.00 0.00 C ATOM 517 C VAL A 34 17.014 -5.304 15.574 1.00 0.00 C ATOM 518 O VAL A 34 17.846 -5.772 14.817 1.00 0.00 O ATOM 519 CB VAL A 34 15.248 -6.230 14.012 1.00 0.00 C ATOM 520 CG1 VAL A 34 15.455 -7.701 14.384 1.00 0.00 C ATOM 521 CG2 VAL A 34 13.806 -6.033 13.528 1.00 0.00 C ATOM 0 H VAL A 34 14.978 -3.814 13.849 1.00 0.00 H new ATOM 0 HA VAL A 34 15.000 -5.726 16.122 1.00 0.00 H new ATOM 0 HB VAL A 34 15.939 -5.950 13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.265 -8.327 13.512 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.481 -7.850 14.721 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.767 -7.974 15.184 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.625 -6.664 12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.114 -6.306 14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.653 -4.988 13.257 1.00 0.00 H new ATOM 531 N VAL A 35 17.356 -4.740 16.705 1.00 0.00 N ATOM 532 CA VAL A 35 18.795 -4.655 17.109 1.00 0.00 C ATOM 533 C VAL A 35 18.963 -5.180 18.547 1.00 0.00 C ATOM 534 O VAL A 35 19.693 -4.619 19.342 1.00 0.00 O ATOM 535 CB VAL A 35 19.155 -3.162 17.022 1.00 0.00 C ATOM 536 CG1 VAL A 35 20.666 -2.986 17.190 1.00 0.00 C ATOM 537 CG2 VAL A 35 18.736 -2.603 15.658 1.00 0.00 C ATOM 0 H VAL A 35 16.698 -4.333 17.370 1.00 0.00 H new ATOM 0 HA VAL A 35 19.444 -5.256 16.472 1.00 0.00 H new ATOM 0 HB VAL A 35 18.631 -2.626 17.813 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.918 -1.927 17.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 20.972 -3.376 18.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 21.186 -3.530 16.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.994 -1.545 15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.256 -3.145 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.660 -2.721 15.531 1.00 0.00 H new ATOM 547 N ARG A 36 18.285 -6.252 18.881 1.00 0.00 N ATOM 548 CA ARG A 36 18.396 -6.819 20.264 1.00 0.00 C ATOM 549 C ARG A 36 18.040 -8.315 20.273 1.00 0.00 C ATOM 550 O ARG A 36 18.374 -8.974 21.244 1.00 0.00 O ATOM 551 CB ARG A 36 17.398 -6.016 21.113 1.00 0.00 C ATOM 552 CG ARG A 36 15.968 -6.233 20.601 1.00 0.00 C ATOM 553 CD ARG A 36 15.233 -7.206 21.528 1.00 0.00 C ATOM 554 NE ARG A 36 13.805 -7.148 21.099 1.00 0.00 N ATOM 555 CZ ARG A 36 12.949 -6.420 21.766 1.00 0.00 C ATOM 556 NH1 ARG A 36 12.534 -6.816 22.942 1.00 0.00 N ATOM 557 NH2 ARG A 36 12.507 -5.298 21.258 1.00 0.00 N ATOM 558 OXT ARG A 36 17.440 -8.777 19.313 1.00 0.00 O ATOM 0 H ARG A 36 17.659 -6.760 18.256 1.00 0.00 H new ATOM 0 HA ARG A 36 19.412 -6.742 20.652 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.468 -6.323 22.157 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.648 -4.956 21.075 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.437 -5.282 20.561 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.991 -6.629 19.586 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.632 -8.216 21.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.343 -6.915 22.573 1.00 0.00 H new ATOM 0 HE ARG A 36 13.496 -7.678 20.284 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.879 -7.691 23.336 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.866 -6.249 23.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.831 -4.991 20.341 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.839 -4.730 21.779 1.00 0.00 H new TER 572 ARG A 36