USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HD1 : A 51 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 44 MET CE :methyl -126:sc= -5.04! (180deg=-6.33!) USER MOD Set 1.2: A 53 THR OG1 : rot 38:sc= -0.999 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 168:sc= 0.427 (180deg=0) USER MOD Set 2.2: A 27 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -118:sc= 0 (180deg=-1.14) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.465 F(o=-2.4!,f=-0.47) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.2 USER MOD Single : A 36 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.9 USER MOD Single : A 46 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.124) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.608 F(o=-1.9!,f=-0.61) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= 0.0889 (180deg=-0.0153) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 33:sc= 0.663 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.535 14.718 -16.060 1.00 0.00 N ATOM 2 CA GLY A 1 46.983 13.343 -16.178 1.00 0.00 C ATOM 3 C GLY A 1 45.831 12.366 -16.310 1.00 0.00 C ATOM 4 O GLY A 1 45.298 12.168 -17.401 1.00 0.00 O ATOM 0 H1 GLY A 1 47.360 15.346 -15.972 1.00 0.00 H new ATOM 0 H2 GLY A 1 45.989 14.979 -16.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 45.934 14.816 -15.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.635 13.250 -17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 47.578 13.082 -15.303 1.00 0.00 H new ATOM 8 N SER A 2 45.447 11.754 -15.194 1.00 0.00 N ATOM 9 CA SER A 2 44.354 10.788 -15.190 1.00 0.00 C ATOM 10 C SER A 2 43.197 11.274 -16.059 1.00 0.00 C ATOM 11 O SER A 2 42.791 12.433 -15.980 1.00 0.00 O ATOM 12 CB SER A 2 43.866 10.544 -13.761 1.00 0.00 C ATOM 13 OG SER A 2 43.100 11.640 -13.290 1.00 0.00 O ATOM 0 H SER A 2 45.876 11.910 -14.282 1.00 0.00 H new ATOM 0 HA SER A 2 44.728 9.851 -15.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 43.265 9.635 -13.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 44.721 10.384 -13.104 1.00 0.00 H new ATOM 0 HG SER A 2 42.798 11.459 -12.375 1.00 0.00 H new ATOM 19 N SER A 3 42.671 10.377 -16.887 1.00 0.00 N ATOM 20 CA SER A 3 41.563 10.714 -17.774 1.00 0.00 C ATOM 21 C SER A 3 40.454 11.430 -17.010 1.00 0.00 C ATOM 22 O SER A 3 40.069 12.547 -17.354 1.00 0.00 O ATOM 23 CB SER A 3 41.009 9.450 -18.435 1.00 0.00 C ATOM 24 OG SER A 3 40.292 9.764 -19.616 1.00 0.00 O ATOM 0 H SER A 3 42.994 9.412 -16.962 1.00 0.00 H new ATOM 0 HA SER A 3 41.939 11.385 -18.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.828 8.771 -18.673 1.00 0.00 H new ATOM 0 HB3 SER A 3 40.355 8.928 -17.737 1.00 0.00 H new ATOM 0 HG SER A 3 39.950 8.939 -20.020 1.00 0.00 H new ATOM 30 N GLY A 4 39.943 10.777 -15.970 1.00 0.00 N ATOM 31 CA GLY A 4 38.883 11.366 -15.173 1.00 0.00 C ATOM 32 C GLY A 4 39.072 11.126 -13.688 1.00 0.00 C ATOM 33 O GLY A 4 39.197 9.983 -13.248 1.00 0.00 O ATOM 0 H GLY A 4 40.244 9.851 -15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 38.844 12.439 -15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.925 10.952 -15.486 1.00 0.00 H new ATOM 37 N SER A 5 39.096 12.206 -12.913 1.00 0.00 N ATOM 38 CA SER A 5 39.277 12.107 -11.470 1.00 0.00 C ATOM 39 C SER A 5 38.010 12.530 -10.733 1.00 0.00 C ATOM 40 O SER A 5 37.425 11.749 -9.982 1.00 0.00 O ATOM 41 CB SER A 5 40.455 12.976 -11.022 1.00 0.00 C ATOM 42 OG SER A 5 41.073 12.440 -9.865 1.00 0.00 O ATOM 0 H SER A 5 38.992 13.159 -13.261 1.00 0.00 H new ATOM 0 HA SER A 5 39.488 11.066 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 41.185 13.048 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 5 40.107 13.988 -10.816 1.00 0.00 H new ATOM 0 HG SER A 5 41.823 13.012 -9.600 1.00 0.00 H new ATOM 48 N SER A 6 37.591 13.772 -10.954 1.00 0.00 N ATOM 49 CA SER A 6 36.395 14.302 -10.309 1.00 0.00 C ATOM 50 C SER A 6 35.140 13.628 -10.854 1.00 0.00 C ATOM 51 O SER A 6 34.241 13.261 -10.099 1.00 0.00 O ATOM 52 CB SER A 6 36.306 15.815 -10.515 1.00 0.00 C ATOM 53 OG SER A 6 35.500 16.419 -9.519 1.00 0.00 O ATOM 0 H SER A 6 38.062 14.430 -11.575 1.00 0.00 H new ATOM 0 HA SER A 6 36.465 14.092 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 37.306 16.248 -10.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 35.892 16.027 -11.501 1.00 0.00 H new ATOM 0 HG SER A 6 35.461 17.386 -9.672 1.00 0.00 H new ATOM 59 N GLY A 7 35.087 13.469 -12.173 1.00 0.00 N ATOM 60 CA GLY A 7 33.938 12.839 -12.799 1.00 0.00 C ATOM 61 C GLY A 7 32.804 13.815 -13.042 1.00 0.00 C ATOM 62 O GLY A 7 33.022 14.916 -13.547 1.00 0.00 O ATOM 0 H GLY A 7 35.819 13.765 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 34.242 12.396 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.584 12.025 -12.166 1.00 0.00 H new ATOM 66 N GLN A 8 31.590 13.410 -12.684 1.00 0.00 N ATOM 67 CA GLN A 8 30.417 14.256 -12.869 1.00 0.00 C ATOM 68 C GLN A 8 29.330 13.908 -11.858 1.00 0.00 C ATOM 69 O GLN A 8 29.163 12.746 -11.485 1.00 0.00 O ATOM 70 CB GLN A 8 29.874 14.108 -14.291 1.00 0.00 C ATOM 71 CG GLN A 8 28.739 15.067 -14.612 1.00 0.00 C ATOM 72 CD GLN A 8 28.683 15.432 -16.082 1.00 0.00 C ATOM 73 OE1 GLN A 8 28.943 14.600 -16.951 1.00 0.00 O ATOM 74 NE2 GLN A 8 28.341 16.683 -16.369 1.00 0.00 N ATOM 0 H GLN A 8 31.393 12.501 -12.264 1.00 0.00 H new ATOM 0 HA GLN A 8 30.718 15.291 -12.709 1.00 0.00 H new ATOM 0 HB2 GLN A 8 30.686 14.269 -15.000 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.525 13.085 -14.433 1.00 0.00 H new ATOM 0 HG2 GLN A 8 27.792 14.615 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 8 28.857 15.975 -14.020 1.00 0.00 H new ATOM 0 HE21 GLN A 8 28.134 17.340 -15.617 1.00 0.00 H new ATOM 0 HE22 GLN A 8 28.286 16.986 -17.341 1.00 0.00 H new ATOM 83 N LEU A 9 28.593 14.921 -11.417 1.00 0.00 N ATOM 84 CA LEU A 9 27.520 14.723 -10.448 1.00 0.00 C ATOM 85 C LEU A 9 26.207 15.302 -10.963 1.00 0.00 C ATOM 86 O LEU A 9 26.184 16.374 -11.570 1.00 0.00 O ATOM 87 CB LEU A 9 27.887 15.370 -9.111 1.00 0.00 C ATOM 88 CG LEU A 9 26.981 15.028 -7.928 1.00 0.00 C ATOM 89 CD1 LEU A 9 27.212 13.595 -7.475 1.00 0.00 C ATOM 90 CD2 LEU A 9 27.216 15.997 -6.779 1.00 0.00 C ATOM 0 H LEU A 9 28.718 15.888 -11.715 1.00 0.00 H new ATOM 0 HA LEU A 9 27.390 13.651 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.907 15.080 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.887 16.452 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 9 25.944 15.122 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.558 13.370 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 9 26.992 12.914 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 9 28.251 13.473 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.563 15.739 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.256 15.935 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.998 17.013 -7.109 1.00 0.00 H new ATOM 102 N LEU A 10 25.114 14.589 -10.715 1.00 0.00 N ATOM 103 CA LEU A 10 23.795 15.033 -11.152 1.00 0.00 C ATOM 104 C LEU A 10 23.103 15.841 -10.058 1.00 0.00 C ATOM 105 O LEU A 10 23.491 15.784 -8.892 1.00 0.00 O ATOM 106 CB LEU A 10 22.932 13.831 -11.537 1.00 0.00 C ATOM 107 CG LEU A 10 23.281 13.151 -12.861 1.00 0.00 C ATOM 108 CD1 LEU A 10 22.587 11.802 -12.969 1.00 0.00 C ATOM 109 CD2 LEU A 10 22.903 14.042 -14.035 1.00 0.00 C ATOM 0 H LEU A 10 25.115 13.701 -10.214 1.00 0.00 H new ATOM 0 HA LEU A 10 23.925 15.673 -12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 10 23.002 13.089 -10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.892 14.155 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 10 24.358 12.985 -12.888 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.848 11.334 -13.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.908 11.161 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.507 11.943 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.159 13.541 -14.969 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.831 14.240 -14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.448 14.984 -13.967 1.00 0.00 H new ATOM 121 N GLU A 11 22.075 16.590 -10.444 1.00 0.00 N ATOM 122 CA GLU A 11 21.328 17.408 -9.495 1.00 0.00 C ATOM 123 C GLU A 11 20.996 16.613 -8.235 1.00 0.00 C ATOM 124 O GLU A 11 20.594 15.451 -8.292 1.00 0.00 O ATOM 125 CB GLU A 11 20.040 17.927 -10.138 1.00 0.00 C ATOM 126 CG GLU A 11 19.412 19.090 -9.389 1.00 0.00 C ATOM 127 CD GLU A 11 18.184 19.639 -10.089 1.00 0.00 C ATOM 128 OE1 GLU A 11 18.250 19.860 -11.316 1.00 0.00 O ATOM 129 OE2 GLU A 11 17.157 19.849 -9.410 1.00 0.00 O ATOM 0 H GLU A 11 21.741 16.647 -11.406 1.00 0.00 H new ATOM 0 HA GLU A 11 21.953 18.256 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.254 18.237 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.319 17.112 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.139 18.766 -8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.148 19.886 -9.278 1.00 0.00 H new ATOM 136 N PRO A 12 21.168 17.254 -7.069 1.00 0.00 N ATOM 137 CA PRO A 12 20.893 16.626 -5.773 1.00 0.00 C ATOM 138 C PRO A 12 19.403 16.403 -5.542 1.00 0.00 C ATOM 139 O PRO A 12 18.568 16.878 -6.312 1.00 0.00 O ATOM 140 CB PRO A 12 21.445 17.638 -4.766 1.00 0.00 C ATOM 141 CG PRO A 12 21.394 18.947 -5.476 1.00 0.00 C ATOM 142 CD PRO A 12 21.644 18.640 -6.927 1.00 0.00 C ATOM 0 HA PRO A 12 21.343 15.637 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.845 17.658 -3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.464 17.387 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.425 19.427 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.147 19.632 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.100 19.321 -7.581 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.700 18.730 -7.181 1.00 0.00 H new ATOM 150 N ILE A 13 19.076 15.677 -4.478 1.00 0.00 N ATOM 151 CA ILE A 13 17.686 15.392 -4.146 1.00 0.00 C ATOM 152 C ILE A 13 17.081 16.511 -3.305 1.00 0.00 C ATOM 153 O ILE A 13 17.695 16.981 -2.346 1.00 0.00 O ATOM 154 CB ILE A 13 17.550 14.061 -3.383 1.00 0.00 C ATOM 155 CG1 ILE A 13 18.017 12.897 -4.259 1.00 0.00 C ATOM 156 CG2 ILE A 13 16.112 13.851 -2.935 1.00 0.00 C ATOM 157 CD1 ILE A 13 17.111 12.629 -5.441 1.00 0.00 C ATOM 0 H ILE A 13 19.755 15.276 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 13 17.146 15.317 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 13 18.183 14.101 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.023 13.107 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.081 11.996 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 13 16.033 12.906 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.812 14.668 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.459 13.828 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.503 11.791 -6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.110 12.387 -5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 13 17.067 13.515 -6.074 1.00 0.00 H new ATOM 169 N ARG A 14 15.875 16.932 -3.669 1.00 0.00 N ATOM 170 CA ARG A 14 15.186 17.996 -2.947 1.00 0.00 C ATOM 171 C ARG A 14 13.741 17.607 -2.653 1.00 0.00 C ATOM 172 O ARG A 14 12.844 18.450 -2.673 1.00 0.00 O ATOM 173 CB ARG A 14 15.222 19.295 -3.754 1.00 0.00 C ATOM 174 CG ARG A 14 14.475 19.212 -5.074 1.00 0.00 C ATOM 175 CD ARG A 14 13.899 20.562 -5.474 1.00 0.00 C ATOM 176 NE ARG A 14 13.353 20.545 -6.829 1.00 0.00 N ATOM 177 CZ ARG A 14 14.092 20.708 -7.920 1.00 0.00 C ATOM 178 NH1 ARG A 14 15.400 20.898 -7.817 1.00 0.00 N ATOM 179 NH2 ARG A 14 13.523 20.680 -9.119 1.00 0.00 N ATOM 0 H ARG A 14 15.354 16.553 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 14 15.702 18.150 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.794 20.098 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.260 19.563 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.150 18.858 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.670 18.481 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.115 20.844 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.677 21.322 -5.406 1.00 0.00 H new ATOM 0 HE ARG A 14 12.350 20.400 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.841 20.919 -6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.965 21.023 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.517 20.533 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.092 20.805 -9.956 1.00 0.00 H new ATOM 193 N ASP A 15 13.522 16.324 -2.383 1.00 0.00 N ATOM 194 CA ASP A 15 12.185 15.823 -2.085 1.00 0.00 C ATOM 195 C ASP A 15 12.233 14.350 -1.691 1.00 0.00 C ATOM 196 O ASP A 15 12.527 13.485 -2.517 1.00 0.00 O ATOM 197 CB ASP A 15 11.266 16.012 -3.292 1.00 0.00 C ATOM 198 CG ASP A 15 9.888 15.421 -3.068 1.00 0.00 C ATOM 199 OD1 ASP A 15 9.232 15.805 -2.078 1.00 0.00 O ATOM 200 OD2 ASP A 15 9.465 14.574 -3.884 1.00 0.00 O ATOM 0 H ASP A 15 14.253 15.613 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 15 11.788 16.393 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.171 17.076 -3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.720 15.547 -4.167 1.00 0.00 H new ATOM 205 N PHE A 16 11.942 14.072 -0.425 1.00 0.00 N ATOM 206 CA PHE A 16 11.954 12.703 0.079 1.00 0.00 C ATOM 207 C PHE A 16 10.591 12.321 0.648 1.00 0.00 C ATOM 208 O PHE A 16 9.766 13.186 0.943 1.00 0.00 O ATOM 209 CB PHE A 16 13.031 12.542 1.154 1.00 0.00 C ATOM 210 CG PHE A 16 14.421 12.425 0.597 1.00 0.00 C ATOM 211 CD1 PHE A 16 14.708 11.501 -0.394 1.00 0.00 C ATOM 212 CD2 PHE A 16 15.440 13.238 1.066 1.00 0.00 C ATOM 213 CE1 PHE A 16 15.986 11.390 -0.909 1.00 0.00 C ATOM 214 CE2 PHE A 16 16.720 13.132 0.555 1.00 0.00 C ATOM 215 CZ PHE A 16 16.994 12.206 -0.433 1.00 0.00 C ATOM 0 H PHE A 16 11.695 14.776 0.271 1.00 0.00 H new ATOM 0 HA PHE A 16 12.180 12.038 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.990 13.397 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 16 12.810 11.655 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 16 13.924 10.860 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 16 15.232 13.963 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 16 16.196 10.666 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 16 17.505 13.773 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 16 17.994 12.120 -0.832 1.00 0.00 H new ATOM 225 N GLU A 17 10.362 11.021 0.799 1.00 0.00 N ATOM 226 CA GLU A 17 9.098 10.524 1.331 1.00 0.00 C ATOM 227 C GLU A 17 7.919 11.289 0.735 1.00 0.00 C ATOM 228 O GLU A 17 7.000 11.687 1.449 1.00 0.00 O ATOM 229 CB GLU A 17 9.079 10.644 2.856 1.00 0.00 C ATOM 230 CG GLU A 17 9.678 9.442 3.568 1.00 0.00 C ATOM 231 CD GLU A 17 11.192 9.492 3.625 1.00 0.00 C ATOM 232 OE1 GLU A 17 11.737 10.551 4.000 1.00 0.00 O ATOM 233 OE2 GLU A 17 11.832 8.472 3.295 1.00 0.00 O ATOM 0 H GLU A 17 11.035 10.292 0.561 1.00 0.00 H new ATOM 0 HA GLU A 17 9.005 9.474 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.627 11.540 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.050 10.777 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.282 9.391 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.367 8.530 3.058 1.00 0.00 H new ATOM 240 N ALA A 18 7.955 11.491 -0.578 1.00 0.00 N ATOM 241 CA ALA A 18 6.890 12.207 -1.270 1.00 0.00 C ATOM 242 C ALA A 18 5.756 11.263 -1.657 1.00 0.00 C ATOM 243 O ALA A 18 4.583 11.630 -1.596 1.00 0.00 O ATOM 244 CB ALA A 18 7.441 12.907 -2.504 1.00 0.00 C ATOM 0 H ALA A 18 8.710 11.169 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 18 6.487 12.957 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.635 13.438 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.212 13.617 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.871 12.168 -3.180 1.00 0.00 H new ATOM 250 N ARG A 19 6.115 10.047 -2.054 1.00 0.00 N ATOM 251 CA ARG A 19 5.127 9.051 -2.453 1.00 0.00 C ATOM 252 C ARG A 19 3.851 9.191 -1.627 1.00 0.00 C ATOM 253 O ARG A 19 3.770 8.698 -0.502 1.00 0.00 O ATOM 254 CB ARG A 19 5.698 7.642 -2.293 1.00 0.00 C ATOM 255 CG ARG A 19 6.872 7.353 -3.215 1.00 0.00 C ATOM 256 CD ARG A 19 6.955 5.875 -3.565 1.00 0.00 C ATOM 257 NE ARG A 19 7.500 5.082 -2.467 1.00 0.00 N ATOM 258 CZ ARG A 19 7.285 3.779 -2.324 1.00 0.00 C ATOM 259 NH1 ARG A 19 6.540 3.126 -3.206 1.00 0.00 N ATOM 260 NH2 ARG A 19 7.816 3.126 -1.298 1.00 0.00 N ATOM 0 H ARG A 19 7.082 9.727 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 19 4.882 9.219 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.015 7.503 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.909 6.915 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.772 7.939 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.799 7.667 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.961 5.507 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.579 5.746 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 19 8.078 5.554 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.131 3.624 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.376 2.125 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.390 3.625 -0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.650 2.125 -1.189 1.00 0.00 H new ATOM 274 N LYS A 20 2.857 9.866 -2.193 1.00 0.00 N ATOM 275 CA LYS A 20 1.584 10.071 -1.511 1.00 0.00 C ATOM 276 C LYS A 20 0.414 9.764 -2.440 1.00 0.00 C ATOM 277 O LYS A 20 0.583 9.661 -3.655 1.00 0.00 O ATOM 278 CB LYS A 20 1.481 11.510 -1.002 1.00 0.00 C ATOM 279 CG LYS A 20 2.126 11.722 0.357 1.00 0.00 C ATOM 280 CD LYS A 20 2.662 13.136 0.506 1.00 0.00 C ATOM 281 CE LYS A 20 2.614 13.601 1.953 1.00 0.00 C ATOM 282 NZ LYS A 20 3.883 13.306 2.673 1.00 0.00 N ATOM 0 H LYS A 20 2.908 10.281 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 20 1.540 9.388 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.950 12.177 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.430 11.792 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.396 11.524 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.939 11.008 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.689 13.177 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.078 13.815 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.420 14.673 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.785 13.112 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.892 13.811 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.955 12.283 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.690 13.618 2.096 1.00 0.00 H new ATOM 296 N CYS A 21 -0.773 9.619 -1.860 1.00 0.00 N ATOM 297 CA CYS A 21 -1.972 9.325 -2.635 1.00 0.00 C ATOM 298 C CYS A 21 -2.443 10.560 -3.399 1.00 0.00 C ATOM 299 O CYS A 21 -2.668 11.626 -2.827 1.00 0.00 O ATOM 300 CB CYS A 21 -3.089 8.825 -1.717 1.00 0.00 C ATOM 301 SG CYS A 21 -4.607 8.330 -2.593 1.00 0.00 S ATOM 0 H CYS A 21 -0.930 9.700 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.725 8.545 -3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.720 7.975 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.335 9.610 -1.001 1.00 0.00 H new ATOM 306 N PRO A 22 -2.595 10.414 -4.724 1.00 0.00 N ATOM 307 CA PRO A 22 -3.041 11.505 -5.595 1.00 0.00 C ATOM 308 C PRO A 22 -4.504 11.868 -5.368 1.00 0.00 C ATOM 309 O PRO A 22 -4.964 12.929 -5.789 1.00 0.00 O ATOM 310 CB PRO A 22 -2.842 10.939 -7.003 1.00 0.00 C ATOM 311 CG PRO A 22 -2.920 9.461 -6.832 1.00 0.00 C ATOM 312 CD PRO A 22 -2.345 9.171 -5.473 1.00 0.00 C ATOM 0 HA PRO A 22 -2.489 12.426 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.611 11.299 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.880 11.239 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.951 9.114 -6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.357 8.948 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.832 8.315 -5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.281 8.942 -5.528 1.00 0.00 H new ATOM 320 N VAL A 23 -5.232 10.979 -4.699 1.00 0.00 N ATOM 321 CA VAL A 23 -6.644 11.206 -4.414 1.00 0.00 C ATOM 322 C VAL A 23 -6.834 11.816 -3.030 1.00 0.00 C ATOM 323 O VAL A 23 -7.731 12.633 -2.818 1.00 0.00 O ATOM 324 CB VAL A 23 -7.452 9.898 -4.502 1.00 0.00 C ATOM 325 CG1 VAL A 23 -8.922 10.157 -4.208 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.278 9.255 -5.870 1.00 0.00 C ATOM 0 H VAL A 23 -4.867 10.095 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.011 11.902 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.073 9.206 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.477 9.221 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.025 10.569 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.319 10.867 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.856 8.332 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.629 9.940 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.224 9.032 -6.036 1.00 0.00 H new ATOM 336 N HIS A 24 -5.984 11.415 -2.090 1.00 0.00 N ATOM 337 CA HIS A 24 -6.058 11.923 -0.725 1.00 0.00 C ATOM 338 C HIS A 24 -4.887 12.856 -0.429 1.00 0.00 C ATOM 339 O HIS A 24 -5.075 13.968 0.062 1.00 0.00 O ATOM 340 CB HIS A 24 -6.068 10.765 0.273 1.00 0.00 C ATOM 341 CG HIS A 24 -7.346 9.984 0.271 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.547 8.873 -0.522 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.491 10.157 0.971 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.761 8.398 -0.310 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.355 9.158 0.593 1.00 0.00 N ATOM 0 H HIS A 24 -5.236 10.740 -2.249 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.985 12.488 -0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.241 10.093 0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.893 11.158 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.689 10.936 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.195 7.535 -0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.301 9.025 0.951 1.00 0.00 H new ATOM 353 N GLY A 25 -3.677 12.393 -0.730 1.00 0.00 N ATOM 354 CA GLY A 25 -2.494 13.198 -0.488 1.00 0.00 C ATOM 355 C GLY A 25 -1.694 12.709 0.703 1.00 0.00 C ATOM 356 O GLY A 25 -0.889 13.450 1.267 1.00 0.00 O ATOM 0 H GLY A 25 -3.495 11.475 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.862 13.186 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.791 14.234 -0.322 1.00 0.00 H new ATOM 360 N LYS A 26 -1.917 11.458 1.090 1.00 0.00 N ATOM 361 CA LYS A 26 -1.212 10.869 2.223 1.00 0.00 C ATOM 362 C LYS A 26 -0.165 9.866 1.750 1.00 0.00 C ATOM 363 O LYS A 26 -0.364 9.167 0.756 1.00 0.00 O ATOM 364 CB LYS A 26 -2.202 10.183 3.166 1.00 0.00 C ATOM 365 CG LYS A 26 -3.305 11.101 3.663 1.00 0.00 C ATOM 366 CD LYS A 26 -2.747 12.247 4.490 1.00 0.00 C ATOM 367 CE LYS A 26 -3.755 12.736 5.518 1.00 0.00 C ATOM 368 NZ LYS A 26 -3.327 14.014 6.151 1.00 0.00 N ATOM 0 H LYS A 26 -2.581 10.831 0.635 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.705 11.671 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.652 9.334 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.658 9.785 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.858 11.500 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.013 10.529 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.838 11.922 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.469 13.070 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.724 12.875 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.886 11.976 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.041 14.314 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.414 13.875 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.226 14.747 5.420 1.00 0.00 H new ATOM 382 N THR A 27 0.951 9.798 2.469 1.00 0.00 N ATOM 383 CA THR A 27 2.029 8.880 2.124 1.00 0.00 C ATOM 384 C THR A 27 1.530 7.441 2.072 1.00 0.00 C ATOM 385 O THR A 27 1.406 6.780 3.102 1.00 0.00 O ATOM 386 CB THR A 27 3.190 8.973 3.131 1.00 0.00 C ATOM 387 OG1 THR A 27 3.823 10.254 3.033 1.00 0.00 O ATOM 388 CG2 THR A 27 4.214 7.875 2.880 1.00 0.00 C ATOM 0 H THR A 27 1.132 10.369 3.295 1.00 0.00 H new ATOM 0 HA THR A 27 2.389 9.172 1.138 1.00 0.00 H new ATOM 0 HB THR A 27 2.782 8.846 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.559 10.305 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.025 7.961 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.736 6.901 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.616 7.976 1.872 1.00 0.00 H new ATOM 396 N MET A 28 1.245 6.961 0.865 1.00 0.00 N ATOM 397 CA MET A 28 0.761 5.598 0.680 1.00 0.00 C ATOM 398 C MET A 28 1.643 4.602 1.425 1.00 0.00 C ATOM 399 O MET A 28 2.818 4.436 1.100 1.00 0.00 O ATOM 400 CB MET A 28 0.720 5.247 -0.809 1.00 0.00 C ATOM 401 CG MET A 28 -0.260 6.092 -1.606 1.00 0.00 C ATOM 402 SD MET A 28 -0.339 5.612 -3.342 1.00 0.00 S ATOM 403 CE MET A 28 1.127 6.416 -3.982 1.00 0.00 C ATOM 0 H MET A 28 1.341 7.496 0.002 1.00 0.00 H new ATOM 0 HA MET A 28 -0.248 5.538 1.088 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.718 5.369 -1.230 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.454 4.196 -0.919 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.252 6.005 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.030 7.141 -1.536 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.840 7.150 -4.735 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.652 6.917 -3.168 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.783 5.671 -4.433 1.00 0.00 H new ATOM 413 N GLU A 29 1.069 3.943 2.427 1.00 0.00 N ATOM 414 CA GLU A 29 1.805 2.964 3.218 1.00 0.00 C ATOM 415 C GLU A 29 1.179 1.578 3.089 1.00 0.00 C ATOM 416 O GLU A 29 1.360 0.719 3.953 1.00 0.00 O ATOM 417 CB GLU A 29 1.838 3.385 4.689 1.00 0.00 C ATOM 418 CG GLU A 29 2.093 4.869 4.891 1.00 0.00 C ATOM 419 CD GLU A 29 2.797 5.167 6.200 1.00 0.00 C ATOM 420 OE1 GLU A 29 3.988 4.813 6.326 1.00 0.00 O ATOM 421 OE2 GLU A 29 2.158 5.753 7.099 1.00 0.00 O ATOM 0 H GLU A 29 0.097 4.069 2.710 1.00 0.00 H new ATOM 0 HA GLU A 29 2.825 2.920 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.889 3.121 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.614 2.818 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.696 5.246 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.144 5.404 4.863 1.00 0.00 H new ATOM 428 N LEU A 30 0.441 1.368 2.004 1.00 0.00 N ATOM 429 CA LEU A 30 -0.213 0.087 1.760 1.00 0.00 C ATOM 430 C LEU A 30 -0.111 -0.306 0.290 1.00 0.00 C ATOM 431 O LEU A 30 0.308 0.493 -0.549 1.00 0.00 O ATOM 432 CB LEU A 30 -1.682 0.153 2.182 1.00 0.00 C ATOM 433 CG LEU A 30 -1.957 0.749 3.563 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.304 1.455 3.581 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.907 -0.335 4.631 1.00 0.00 C ATOM 0 H LEU A 30 0.281 2.068 1.280 1.00 0.00 H new ATOM 0 HA LEU A 30 0.296 -0.671 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.226 0.738 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.093 -0.856 2.156 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.182 1.483 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.483 1.873 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.304 2.257 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.092 0.741 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.105 0.107 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.661 -1.093 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.920 -0.797 4.635 1.00 0.00 H new ATOM 447 N PHE A 31 -0.499 -1.539 -0.017 1.00 0.00 N ATOM 448 CA PHE A 31 -0.453 -2.037 -1.386 1.00 0.00 C ATOM 449 C PHE A 31 -1.612 -2.992 -1.657 1.00 0.00 C ATOM 450 O PHE A 31 -1.786 -3.989 -0.955 1.00 0.00 O ATOM 451 CB PHE A 31 0.878 -2.744 -1.650 1.00 0.00 C ATOM 452 CG PHE A 31 0.925 -3.460 -2.969 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.217 -2.772 -4.136 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.678 -4.822 -3.043 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.260 -3.429 -5.351 1.00 0.00 C ATOM 456 CE2 PHE A 31 0.720 -5.484 -4.256 1.00 0.00 C ATOM 457 CZ PHE A 31 1.013 -4.787 -5.411 1.00 0.00 C ATOM 0 H PHE A 31 -0.849 -2.212 0.665 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.543 -1.184 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.683 -2.010 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.065 -3.460 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.413 -1.711 -4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.450 -5.373 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.487 -2.881 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.524 -6.545 -4.300 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.049 -5.302 -6.360 1.00 0.00 H new ATOM 467 N CYS A 32 -2.401 -2.681 -2.679 1.00 0.00 N ATOM 468 CA CYS A 32 -3.544 -3.509 -3.044 1.00 0.00 C ATOM 469 C CYS A 32 -3.086 -4.839 -3.636 1.00 0.00 C ATOM 470 O CYS A 32 -2.113 -4.891 -4.388 1.00 0.00 O ATOM 471 CB CYS A 32 -4.436 -2.772 -4.046 1.00 0.00 C ATOM 472 SG CYS A 32 -6.035 -3.587 -4.357 1.00 0.00 S ATOM 0 H CYS A 32 -2.270 -1.860 -3.270 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.117 -3.712 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.620 -1.763 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.900 -2.675 -4.990 1.00 0.00 H new ATOM 477 N GLN A 33 -3.793 -5.909 -3.290 1.00 0.00 N ATOM 478 CA GLN A 33 -3.459 -7.239 -3.787 1.00 0.00 C ATOM 479 C GLN A 33 -4.309 -7.596 -5.002 1.00 0.00 C ATOM 480 O GLN A 33 -4.038 -8.576 -5.697 1.00 0.00 O ATOM 481 CB GLN A 33 -3.656 -8.282 -2.686 1.00 0.00 C ATOM 482 CG GLN A 33 -2.661 -8.158 -1.544 1.00 0.00 C ATOM 483 CD GLN A 33 -2.421 -9.475 -0.833 1.00 0.00 C ATOM 484 OE1 GLN A 33 -1.242 -9.622 -0.241 1.00 0.00 O flip ATOM 485 NE2 GLN A 33 -3.286 -10.351 -0.816 1.00 0.00 N flip ATOM 0 H GLN A 33 -4.601 -5.882 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.412 -7.234 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.666 -8.191 -2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.574 -9.278 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.714 -7.781 -1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.027 -7.424 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.179 -10.195 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.110 -11.232 -0.333 1.00 0.00 H new ATOM 494 N THR A 34 -5.339 -6.794 -5.253 1.00 0.00 N ATOM 495 CA THR A 34 -6.231 -7.027 -6.383 1.00 0.00 C ATOM 496 C THR A 34 -5.634 -6.480 -7.675 1.00 0.00 C ATOM 497 O THR A 34 -5.349 -7.234 -8.605 1.00 0.00 O ATOM 498 CB THR A 34 -7.609 -6.380 -6.153 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.291 -7.045 -5.084 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.454 -6.442 -7.416 1.00 0.00 C ATOM 0 H THR A 34 -5.576 -5.978 -4.689 1.00 0.00 H new ATOM 0 HA THR A 34 -6.355 -8.106 -6.471 1.00 0.00 H new ATOM 0 HB THR A 34 -7.454 -5.334 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.258 -6.996 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.423 -5.979 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.946 -5.909 -8.220 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.599 -7.483 -7.706 1.00 0.00 H new ATOM 508 N ASP A 35 -5.449 -5.166 -7.725 1.00 0.00 N ATOM 509 CA ASP A 35 -4.884 -4.518 -8.903 1.00 0.00 C ATOM 510 C ASP A 35 -3.372 -4.366 -8.768 1.00 0.00 C ATOM 511 O ASP A 35 -2.711 -3.832 -9.658 1.00 0.00 O ATOM 512 CB ASP A 35 -5.530 -3.148 -9.117 1.00 0.00 C ATOM 513 CG ASP A 35 -5.974 -2.508 -7.816 1.00 0.00 C ATOM 514 OD1 ASP A 35 -5.144 -2.412 -6.889 1.00 0.00 O ATOM 515 OD2 ASP A 35 -7.152 -2.104 -7.726 1.00 0.00 O ATOM 0 H ASP A 35 -5.682 -4.528 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.091 -5.148 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.821 -2.490 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.390 -3.254 -9.778 1.00 0.00 H new ATOM 520 N GLN A 36 -2.833 -4.839 -7.649 1.00 0.00 N ATOM 521 CA GLN A 36 -1.399 -4.754 -7.398 1.00 0.00 C ATOM 522 C GLN A 36 -0.904 -3.319 -7.552 1.00 0.00 C ATOM 523 O GLN A 36 0.079 -3.062 -8.248 1.00 0.00 O ATOM 524 CB GLN A 36 -0.637 -5.675 -8.352 1.00 0.00 C ATOM 525 CG GLN A 36 -0.892 -7.153 -8.105 1.00 0.00 C ATOM 526 CD GLN A 36 -0.001 -7.725 -7.019 1.00 0.00 C ATOM 527 OE1 GLN A 36 1.204 -7.473 -6.992 1.00 0.00 O ATOM 528 NE2 GLN A 36 -0.591 -8.500 -6.117 1.00 0.00 N ATOM 0 H GLN A 36 -3.367 -5.284 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.215 -5.074 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.916 -5.433 -9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.431 -5.478 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.936 -7.296 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.731 -7.705 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.593 -8.682 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.043 -8.913 -5.363 1.00 0.00 H new ATOM 537 N THR A 37 -1.591 -2.388 -6.899 1.00 0.00 N ATOM 538 CA THR A 37 -1.222 -0.979 -6.964 1.00 0.00 C ATOM 539 C THR A 37 -1.057 -0.388 -5.569 1.00 0.00 C ATOM 540 O THR A 37 -1.593 -0.917 -4.593 1.00 0.00 O ATOM 541 CB THR A 37 -2.272 -0.159 -7.736 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.727 1.114 -8.103 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.525 0.043 -6.896 1.00 0.00 C ATOM 0 H THR A 37 -2.407 -2.584 -6.319 1.00 0.00 H new ATOM 0 HA THR A 37 -0.270 -0.926 -7.492 1.00 0.00 H new ATOM 0 HB THR A 37 -2.542 -0.711 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.400 1.629 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.253 0.625 -7.462 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.954 -0.927 -6.643 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.267 0.576 -5.981 1.00 0.00 H new ATOM 551 N CYS A 38 -0.314 0.709 -5.480 1.00 0.00 N ATOM 552 CA CYS A 38 -0.079 1.372 -4.202 1.00 0.00 C ATOM 553 C CYS A 38 -1.273 2.235 -3.810 1.00 0.00 C ATOM 554 O CYS A 38 -1.970 2.777 -4.669 1.00 0.00 O ATOM 555 CB CYS A 38 1.184 2.231 -4.275 1.00 0.00 C ATOM 556 SG CYS A 38 2.683 1.306 -4.683 1.00 0.00 S ATOM 0 H CYS A 38 0.136 1.158 -6.277 1.00 0.00 H new ATOM 0 HA CYS A 38 0.056 0.603 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.037 3.011 -5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.327 2.730 -3.316 1.00 0.00 H new ATOM 0 HG CYS A 38 3.697 2.119 -4.724 1.00 0.00 H new ATOM 562 N ILE A 39 -1.505 2.358 -2.507 1.00 0.00 N ATOM 563 CA ILE A 39 -2.616 3.155 -2.001 1.00 0.00 C ATOM 564 C ILE A 39 -2.370 3.590 -0.560 1.00 0.00 C ATOM 565 O ILE A 39 -1.363 3.222 0.047 1.00 0.00 O ATOM 566 CB ILE A 39 -3.944 2.378 -2.071 1.00 0.00 C ATOM 567 CG1 ILE A 39 -3.863 1.108 -1.221 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.282 2.035 -3.514 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.214 0.580 -0.793 1.00 0.00 C ATOM 0 H ILE A 39 -0.939 1.916 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.686 4.037 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.738 3.009 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.342 0.335 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.264 1.312 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.223 1.486 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.377 2.953 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.488 1.420 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.080 -0.321 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.729 1.336 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.809 0.344 -1.676 1.00 0.00 H new ATOM 581 N CYS A 40 -3.296 4.373 -0.018 1.00 0.00 N ATOM 582 CA CYS A 40 -3.181 4.857 1.352 1.00 0.00 C ATOM 583 C CYS A 40 -4.211 4.185 2.255 1.00 0.00 C ATOM 584 O CYS A 40 -5.021 3.379 1.797 1.00 0.00 O ATOM 585 CB CYS A 40 -3.363 6.376 1.395 1.00 0.00 C ATOM 586 SG CYS A 40 -5.043 6.936 0.970 1.00 0.00 S ATOM 0 H CYS A 40 -4.135 4.686 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.185 4.606 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.115 6.733 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.653 6.836 0.707 1.00 0.00 H new ATOM 591 N TYR A 41 -4.174 4.522 3.539 1.00 0.00 N ATOM 592 CA TYR A 41 -5.102 3.950 4.507 1.00 0.00 C ATOM 593 C TYR A 41 -6.534 4.387 4.213 1.00 0.00 C ATOM 594 O TYR A 41 -7.472 3.597 4.323 1.00 0.00 O ATOM 595 CB TYR A 41 -4.712 4.365 5.927 1.00 0.00 C ATOM 596 CG TYR A 41 -4.026 5.711 5.997 1.00 0.00 C ATOM 597 CD1 TYR A 41 -4.759 6.880 6.150 1.00 0.00 C ATOM 598 CD2 TYR A 41 -2.642 5.812 5.911 1.00 0.00 C ATOM 599 CE1 TYR A 41 -4.136 8.112 6.214 1.00 0.00 C ATOM 600 CE2 TYR A 41 -2.011 7.039 5.975 1.00 0.00 C ATOM 601 CZ TYR A 41 -2.762 8.186 6.126 1.00 0.00 C ATOM 602 OH TYR A 41 -2.137 9.410 6.191 1.00 0.00 O ATOM 0 H TYR A 41 -3.511 5.189 3.934 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.048 2.864 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.607 4.390 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.052 3.608 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.835 6.826 6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.051 4.916 5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.722 9.011 6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.935 7.100 5.907 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.168 9.287 6.115 1.00 0.00 H new ATOM 612 N LEU A 42 -6.694 5.651 3.837 1.00 0.00 N ATOM 613 CA LEU A 42 -8.011 6.196 3.525 1.00 0.00 C ATOM 614 C LEU A 42 -8.609 5.509 2.301 1.00 0.00 C ATOM 615 O LEU A 42 -9.817 5.564 2.073 1.00 0.00 O ATOM 616 CB LEU A 42 -7.917 7.703 3.283 1.00 0.00 C ATOM 617 CG LEU A 42 -7.371 8.536 4.443 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.075 9.957 3.987 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.352 8.541 5.606 1.00 0.00 C ATOM 0 H LEU A 42 -5.928 6.318 3.741 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.664 6.011 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.285 7.872 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.911 8.073 3.032 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.439 8.083 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.687 10.535 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.334 9.936 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.991 10.420 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.946 9.139 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.300 8.968 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.513 7.519 5.950 1.00 0.00 H new ATOM 631 N CYS A 43 -7.754 4.860 1.517 1.00 0.00 N ATOM 632 CA CYS A 43 -8.196 4.161 0.317 1.00 0.00 C ATOM 633 C CYS A 43 -8.702 2.762 0.658 1.00 0.00 C ATOM 634 O CYS A 43 -9.753 2.337 0.180 1.00 0.00 O ATOM 635 CB CYS A 43 -7.053 4.069 -0.695 1.00 0.00 C ATOM 636 SG CYS A 43 -6.975 5.470 -1.858 1.00 0.00 S ATOM 0 H CYS A 43 -6.751 4.804 1.692 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.017 4.728 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.108 4.006 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.158 3.145 -1.263 1.00 0.00 H new ATOM 641 N MET A 44 -7.945 2.051 1.489 1.00 0.00 N ATOM 642 CA MET A 44 -8.317 0.701 1.895 1.00 0.00 C ATOM 643 C MET A 44 -9.645 0.706 2.645 1.00 0.00 C ATOM 644 O MET A 44 -10.258 -0.343 2.848 1.00 0.00 O ATOM 645 CB MET A 44 -7.223 0.091 2.774 1.00 0.00 C ATOM 646 CG MET A 44 -7.168 0.681 4.173 1.00 0.00 C ATOM 647 SD MET A 44 -6.665 -0.524 5.416 1.00 0.00 S ATOM 648 CE MET A 44 -5.222 -1.238 4.631 1.00 0.00 C ATOM 0 H MET A 44 -7.071 2.388 1.894 1.00 0.00 H new ATOM 0 HA MET A 44 -8.430 0.095 0.996 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.386 -0.984 2.848 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.257 0.235 2.290 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.471 1.519 4.182 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.149 1.079 4.434 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.332 -2.321 4.585 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.123 -0.840 3.621 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.332 -0.988 5.209 1.00 0.00 H new ATOM 658 N PHE A 45 -10.083 1.891 3.056 1.00 0.00 N ATOM 659 CA PHE A 45 -11.338 2.031 3.785 1.00 0.00 C ATOM 660 C PHE A 45 -12.479 2.397 2.840 1.00 0.00 C ATOM 661 O PHE A 45 -13.631 2.031 3.071 1.00 0.00 O ATOM 662 CB PHE A 45 -11.203 3.096 4.876 1.00 0.00 C ATOM 663 CG PHE A 45 -9.998 2.907 5.752 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.617 1.640 6.164 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.247 3.996 6.164 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.508 1.463 6.971 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.137 3.825 6.970 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.768 2.557 7.375 1.00 0.00 C ATOM 0 H PHE A 45 -9.588 2.768 2.897 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.568 1.072 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.152 4.079 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.099 3.085 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.193 0.781 5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.532 4.990 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.221 0.470 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.559 4.682 7.283 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.902 2.421 8.006 1.00 0.00 H new ATOM 678 N GLN A 46 -12.148 3.120 1.775 1.00 0.00 N ATOM 679 CA GLN A 46 -13.144 3.537 0.796 1.00 0.00 C ATOM 680 C GLN A 46 -12.789 3.021 -0.595 1.00 0.00 C ATOM 681 O GLN A 46 -13.393 2.069 -1.087 1.00 0.00 O ATOM 682 CB GLN A 46 -13.262 5.062 0.773 1.00 0.00 C ATOM 683 CG GLN A 46 -14.302 5.606 1.739 1.00 0.00 C ATOM 684 CD GLN A 46 -14.766 7.002 1.371 1.00 0.00 C ATOM 685 OE1 GLN A 46 -14.310 7.580 0.384 1.00 0.00 O ATOM 686 NE2 GLN A 46 -15.679 7.551 2.164 1.00 0.00 N ATOM 0 H GLN A 46 -11.198 3.429 1.568 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.104 3.111 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.292 5.497 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.514 5.384 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.161 4.935 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.885 5.619 2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.029 7.036 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.030 8.488 1.965 1.00 0.00 H new ATOM 695 N GLU A 47 -11.805 3.658 -1.223 1.00 0.00 N ATOM 696 CA GLU A 47 -11.371 3.264 -2.558 1.00 0.00 C ATOM 697 C GLU A 47 -11.295 1.744 -2.679 1.00 0.00 C ATOM 698 O GLU A 47 -12.116 1.122 -3.354 1.00 0.00 O ATOM 699 CB GLU A 47 -10.008 3.880 -2.878 1.00 0.00 C ATOM 700 CG GLU A 47 -9.651 3.835 -4.354 1.00 0.00 C ATOM 701 CD GLU A 47 -10.473 4.803 -5.183 1.00 0.00 C ATOM 702 OE1 GLU A 47 -10.286 6.028 -5.022 1.00 0.00 O ATOM 703 OE2 GLU A 47 -11.302 4.337 -5.991 1.00 0.00 O ATOM 0 H GLU A 47 -11.294 4.448 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.105 3.632 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.000 4.917 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.239 3.355 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.593 4.067 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.801 2.823 -4.730 1.00 0.00 H new ATOM 710 N HIS A 48 -10.303 1.153 -2.020 1.00 0.00 N ATOM 711 CA HIS A 48 -10.119 -0.294 -2.053 1.00 0.00 C ATOM 712 C HIS A 48 -10.606 -0.933 -0.756 1.00 0.00 C ATOM 713 O HIS A 48 -9.806 -1.326 0.093 1.00 0.00 O ATOM 714 CB HIS A 48 -8.647 -0.637 -2.283 1.00 0.00 C ATOM 715 CG HIS A 48 -8.043 0.074 -3.455 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.755 -0.553 -4.649 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.674 1.367 -3.612 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.233 0.323 -5.489 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.173 1.496 -4.884 1.00 0.00 N ATOM 0 H HIS A 48 -9.615 1.653 -1.457 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.710 -0.692 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.080 -0.388 -1.386 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.552 -1.713 -2.432 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.758 2.151 -2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.910 0.116 -6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.813 2.357 -5.295 1.00 0.00 H new ATOM 727 N LYS A 49 -11.923 -1.033 -0.609 1.00 0.00 N ATOM 728 CA LYS A 49 -12.517 -1.625 0.584 1.00 0.00 C ATOM 729 C LYS A 49 -12.835 -3.099 0.359 1.00 0.00 C ATOM 730 O LYS A 49 -12.564 -3.940 1.215 1.00 0.00 O ATOM 731 CB LYS A 49 -13.791 -0.870 0.972 1.00 0.00 C ATOM 732 CG LYS A 49 -14.459 -1.409 2.225 1.00 0.00 C ATOM 733 CD LYS A 49 -15.583 -0.499 2.692 1.00 0.00 C ATOM 734 CE LYS A 49 -15.867 -0.682 4.175 1.00 0.00 C ATOM 735 NZ LYS A 49 -16.040 -2.116 4.535 1.00 0.00 N ATOM 0 H LYS A 49 -12.599 -0.712 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.794 -1.548 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.548 0.182 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.498 -0.918 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.854 -2.406 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.718 -1.511 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.317 0.540 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.486 -0.710 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.048 -0.258 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.768 -0.129 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.444 -2.188 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.680 -2.570 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.116 -2.593 4.513 1.00 0.00 H new ATOM 749 N ASN A 50 -13.411 -3.406 -0.799 1.00 0.00 N ATOM 750 CA ASN A 50 -13.765 -4.780 -1.137 1.00 0.00 C ATOM 751 C ASN A 50 -12.517 -5.605 -1.438 1.00 0.00 C ATOM 752 O ASN A 50 -12.462 -6.798 -1.140 1.00 0.00 O ATOM 753 CB ASN A 50 -14.708 -4.804 -2.341 1.00 0.00 C ATOM 754 CG ASN A 50 -15.683 -3.642 -2.335 1.00 0.00 C ATOM 755 OD1 ASN A 50 -16.008 -3.148 -1.146 1.00 0.00 O flip ATOM 756 ND2 ASN A 50 -16.137 -3.194 -3.388 1.00 0.00 N flip ATOM 0 H ASN A 50 -13.643 -2.722 -1.519 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.272 -5.220 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.121 -4.778 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.264 -5.741 -2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.859 -3.605 -4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.791 -2.412 -3.369 1.00 0.00 H new ATOM 763 N HIS A 51 -11.516 -4.960 -2.029 1.00 0.00 N ATOM 764 CA HIS A 51 -10.268 -5.633 -2.370 1.00 0.00 C ATOM 765 C HIS A 51 -9.494 -6.012 -1.111 1.00 0.00 C ATOM 766 O HIS A 51 -9.887 -5.658 0.001 1.00 0.00 O ATOM 767 CB HIS A 51 -9.408 -4.738 -3.261 1.00 0.00 C ATOM 768 CG HIS A 51 -10.064 -4.375 -4.558 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.532 -3.460 -5.441 1.00 0.00 N ATOM 770 CD2 HIS A 51 -11.215 -4.812 -5.120 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.328 -3.347 -6.489 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.357 -4.158 -6.319 1.00 0.00 N ATOM 0 H HIS A 51 -11.545 -3.972 -2.282 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.513 -6.546 -2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.165 -3.825 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.466 -5.245 -3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.895 -5.540 -4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.165 -2.702 -7.340 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.131 -4.279 -6.972 1.00 0.00 H new ATOM 780 N SER A 52 -8.393 -6.734 -1.293 1.00 0.00 N ATOM 781 CA SER A 52 -7.566 -7.164 -0.172 1.00 0.00 C ATOM 782 C SER A 52 -6.272 -6.358 -0.110 1.00 0.00 C ATOM 783 O SER A 52 -5.254 -6.750 -0.682 1.00 0.00 O ATOM 784 CB SER A 52 -7.247 -8.656 -0.289 1.00 0.00 C ATOM 785 OG SER A 52 -8.260 -9.443 0.311 1.00 0.00 O ATOM 0 H SER A 52 -8.053 -7.034 -2.207 1.00 0.00 H new ATOM 0 HA SER A 52 -8.125 -6.991 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.145 -8.928 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.290 -8.865 0.188 1.00 0.00 H new ATOM 0 HG SER A 52 -8.033 -10.392 0.221 1.00 0.00 H new ATOM 791 N THR A 53 -6.319 -5.229 0.590 1.00 0.00 N ATOM 792 CA THR A 53 -5.152 -4.366 0.727 1.00 0.00 C ATOM 793 C THR A 53 -4.232 -4.858 1.838 1.00 0.00 C ATOM 794 O THR A 53 -4.694 -5.290 2.894 1.00 0.00 O ATOM 795 CB THR A 53 -5.561 -2.910 1.021 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.637 -2.885 1.965 1.00 0.00 O ATOM 797 CG2 THR A 53 -5.984 -2.198 -0.256 1.00 0.00 C ATOM 0 H THR A 53 -7.153 -4.891 1.071 1.00 0.00 H new ATOM 0 HA THR A 53 -4.620 -4.401 -0.224 1.00 0.00 H new ATOM 0 HB THR A 53 -4.699 -2.391 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.504 -3.592 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.268 -1.172 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.154 -2.193 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.833 -2.718 -0.698 1.00 0.00 H new ATOM 805 N VAL A 54 -2.927 -4.788 1.594 1.00 0.00 N ATOM 806 CA VAL A 54 -1.942 -5.225 2.576 1.00 0.00 C ATOM 807 C VAL A 54 -0.820 -4.202 2.721 1.00 0.00 C ATOM 808 O VAL A 54 -0.413 -3.567 1.747 1.00 0.00 O ATOM 809 CB VAL A 54 -1.333 -6.587 2.192 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.388 -7.680 2.255 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.705 -6.519 0.808 1.00 0.00 C ATOM 0 H VAL A 54 -2.528 -4.433 0.725 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.465 -5.324 3.527 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.549 -6.830 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.940 -8.635 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.786 -7.744 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.196 -7.446 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.280 -7.490 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.467 -6.253 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.082 -5.765 0.802 1.00 0.00 H new ATOM 821 N THR A 55 -0.323 -4.047 3.944 1.00 0.00 N ATOM 822 CA THR A 55 0.751 -3.101 4.218 1.00 0.00 C ATOM 823 C THR A 55 1.945 -3.345 3.303 1.00 0.00 C ATOM 824 O THR A 55 2.414 -4.475 3.165 1.00 0.00 O ATOM 825 CB THR A 55 1.216 -3.187 5.684 1.00 0.00 C ATOM 826 OG1 THR A 55 1.179 -4.548 6.130 1.00 0.00 O ATOM 827 CG2 THR A 55 0.336 -2.331 6.582 1.00 0.00 C ATOM 0 H THR A 55 -0.647 -4.565 4.761 1.00 0.00 H new ATOM 0 HA THR A 55 0.350 -2.105 4.030 1.00 0.00 H new ATOM 0 HB THR A 55 2.238 -2.813 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.478 -4.595 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.684 -2.408 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.388 -1.292 6.258 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.695 -2.679 6.520 1.00 0.00 H new ATOM 835 N VAL A 56 2.434 -2.278 2.679 1.00 0.00 N ATOM 836 CA VAL A 56 3.576 -2.376 1.778 1.00 0.00 C ATOM 837 C VAL A 56 4.636 -3.321 2.334 1.00 0.00 C ATOM 838 O VAL A 56 5.013 -4.296 1.686 1.00 0.00 O ATOM 839 CB VAL A 56 4.214 -0.997 1.527 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.402 -1.121 0.586 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.183 -0.026 0.973 1.00 0.00 C ATOM 0 H VAL A 56 2.057 -1.336 2.781 1.00 0.00 H new ATOM 0 HA VAL A 56 3.200 -2.771 0.834 1.00 0.00 H new ATOM 0 HB VAL A 56 4.575 -0.605 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.840 -0.136 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.149 -1.780 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.070 -1.535 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.651 0.943 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.790 -0.411 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.368 0.086 1.688 1.00 0.00 H new ATOM 851 N GLU A 57 5.111 -3.024 3.539 1.00 0.00 N ATOM 852 CA GLU A 57 6.128 -3.847 4.183 1.00 0.00 C ATOM 853 C GLU A 57 5.761 -5.326 4.104 1.00 0.00 C ATOM 854 O GLU A 57 6.634 -6.188 4.010 1.00 0.00 O ATOM 855 CB GLU A 57 6.303 -3.431 5.645 1.00 0.00 C ATOM 856 CG GLU A 57 7.100 -2.149 5.822 1.00 0.00 C ATOM 857 CD GLU A 57 6.813 -1.461 7.142 1.00 0.00 C ATOM 858 OE1 GLU A 57 5.726 -0.858 7.272 1.00 0.00 O ATOM 859 OE2 GLU A 57 7.673 -1.525 8.044 1.00 0.00 O ATOM 0 H GLU A 57 4.808 -2.220 4.089 1.00 0.00 H new ATOM 0 HA GLU A 57 7.069 -3.695 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.320 -3.303 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.801 -4.236 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.164 -2.376 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.870 -1.467 5.004 1.00 0.00 H new ATOM 866 N GLU A 58 4.463 -5.610 4.143 1.00 0.00 N ATOM 867 CA GLU A 58 3.980 -6.985 4.078 1.00 0.00 C ATOM 868 C GLU A 58 4.132 -7.548 2.668 1.00 0.00 C ATOM 869 O GLU A 58 4.675 -8.636 2.479 1.00 0.00 O ATOM 870 CB GLU A 58 2.514 -7.055 4.512 1.00 0.00 C ATOM 871 CG GLU A 58 2.117 -8.399 5.097 1.00 0.00 C ATOM 872 CD GLU A 58 2.401 -9.553 4.155 1.00 0.00 C ATOM 873 OE1 GLU A 58 1.552 -9.830 3.282 1.00 0.00 O ATOM 874 OE2 GLU A 58 3.473 -10.179 4.291 1.00 0.00 O ATOM 0 H GLU A 58 3.728 -4.907 4.219 1.00 0.00 H new ATOM 0 HA GLU A 58 4.582 -7.588 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.325 -6.276 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.879 -6.840 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.655 -8.557 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.054 -8.386 5.339 1.00 0.00 H new ATOM 881 N ALA A 59 3.649 -6.799 1.682 1.00 0.00 N ATOM 882 CA ALA A 59 3.732 -7.222 0.290 1.00 0.00 C ATOM 883 C ALA A 59 5.175 -7.505 -0.113 1.00 0.00 C ATOM 884 O ALA A 59 5.490 -8.581 -0.621 1.00 0.00 O ATOM 885 CB ALA A 59 3.125 -6.165 -0.620 1.00 0.00 C ATOM 0 H ALA A 59 3.196 -5.896 1.822 1.00 0.00 H new ATOM 0 HA ALA A 59 3.165 -8.147 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.194 -6.494 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.078 -6.015 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.667 -5.227 -0.500 1.00 0.00 H new ATOM 891 N LYS A 60 6.050 -6.531 0.117 1.00 0.00 N ATOM 892 CA LYS A 60 7.461 -6.674 -0.221 1.00 0.00 C ATOM 893 C LYS A 60 8.065 -7.892 0.471 1.00 0.00 C ATOM 894 O LYS A 60 8.874 -8.612 -0.114 1.00 0.00 O ATOM 895 CB LYS A 60 8.232 -5.413 0.175 1.00 0.00 C ATOM 896 CG LYS A 60 8.807 -5.469 1.580 1.00 0.00 C ATOM 897 CD LYS A 60 9.101 -4.078 2.118 1.00 0.00 C ATOM 898 CE LYS A 60 10.415 -3.538 1.575 1.00 0.00 C ATOM 899 NZ LYS A 60 11.040 -2.560 2.509 1.00 0.00 N ATOM 0 H LYS A 60 5.806 -5.634 0.536 1.00 0.00 H new ATOM 0 HA LYS A 60 7.539 -6.815 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.044 -5.255 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.569 -4.552 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.104 -5.975 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.723 -6.060 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.289 -3.403 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.141 -4.109 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.103 -4.365 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.241 -3.060 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.933 -2.215 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.394 -1.758 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.230 -3.023 3.421 1.00 0.00 H new ATOM 913 N ALA A 61 7.667 -8.115 1.719 1.00 0.00 N ATOM 914 CA ALA A 61 8.167 -9.247 2.489 1.00 0.00 C ATOM 915 C ALA A 61 8.302 -10.490 1.615 1.00 0.00 C ATOM 916 O ALA A 61 9.226 -11.283 1.787 1.00 0.00 O ATOM 917 CB ALA A 61 7.251 -9.528 3.671 1.00 0.00 C ATOM 0 H ALA A 61 7.000 -7.527 2.218 1.00 0.00 H new ATOM 0 HA ALA A 61 9.157 -8.989 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.637 -10.376 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.209 -8.650 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.250 -9.760 3.308 1.00 0.00 H new ATOM 923 N GLU A 62 7.373 -10.651 0.677 1.00 0.00 N ATOM 924 CA GLU A 62 7.388 -11.799 -0.223 1.00 0.00 C ATOM 925 C GLU A 62 8.749 -11.942 -0.898 1.00 0.00 C ATOM 926 O GLU A 62 9.411 -12.973 -0.775 1.00 0.00 O ATOM 927 CB GLU A 62 6.293 -11.659 -1.282 1.00 0.00 C ATOM 928 CG GLU A 62 5.907 -12.975 -1.936 1.00 0.00 C ATOM 929 CD GLU A 62 4.518 -12.940 -2.543 1.00 0.00 C ATOM 930 OE1 GLU A 62 3.555 -12.652 -1.802 1.00 0.00 O ATOM 931 OE2 GLU A 62 4.395 -13.200 -3.758 1.00 0.00 O ATOM 0 H GLU A 62 6.602 -10.002 0.521 1.00 0.00 H new ATOM 0 HA GLU A 62 7.199 -12.695 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.409 -11.218 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.631 -10.965 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.633 -13.217 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.955 -13.773 -1.195 1.00 0.00 H new ATOM 938 N LYS A 63 9.161 -10.900 -1.613 1.00 0.00 N ATOM 939 CA LYS A 63 10.442 -10.908 -2.309 1.00 0.00 C ATOM 940 C LYS A 63 11.559 -11.385 -1.386 1.00 0.00 C ATOM 941 O LYS A 63 12.283 -12.326 -1.710 1.00 0.00 O ATOM 942 CB LYS A 63 10.766 -9.509 -2.838 1.00 0.00 C ATOM 943 CG LYS A 63 12.157 -9.392 -3.437 1.00 0.00 C ATOM 944 CD LYS A 63 13.164 -8.891 -2.414 1.00 0.00 C ATOM 945 CE LYS A 63 14.591 -9.201 -2.839 1.00 0.00 C ATOM 946 NZ LYS A 63 14.941 -10.630 -2.607 1.00 0.00 N ATOM 0 H LYS A 63 8.626 -10.039 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 63 10.368 -11.599 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.030 -9.236 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.668 -8.790 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.474 -10.364 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.132 -8.711 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.048 -7.815 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.963 -9.353 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.715 -8.964 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.281 -8.564 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.665 -10.694 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.092 -11.151 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.311 -11.044 -3.487 1.00 0.00 H new ATOM 960 N GLU A 64 11.691 -10.731 -0.237 1.00 0.00 N ATOM 961 CA GLU A 64 12.720 -11.090 0.732 1.00 0.00 C ATOM 962 C GLU A 64 12.415 -12.440 1.375 1.00 0.00 C ATOM 963 O GLU A 64 11.284 -12.925 1.322 1.00 0.00 O ATOM 964 CB GLU A 64 12.834 -10.013 1.812 1.00 0.00 C ATOM 965 CG GLU A 64 11.531 -9.750 2.549 1.00 0.00 C ATOM 966 CD GLU A 64 11.672 -8.686 3.621 1.00 0.00 C ATOM 967 OE1 GLU A 64 12.218 -9.000 4.699 1.00 0.00 O ATOM 968 OE2 GLU A 64 11.235 -7.541 3.382 1.00 0.00 O ATOM 0 H GLU A 64 11.099 -9.950 0.046 1.00 0.00 H new ATOM 0 HA GLU A 64 13.670 -11.165 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.595 -10.312 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.176 -9.085 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.769 -9.441 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.183 -10.676 3.005 1.00 0.00 H new ATOM 975 N THR A 65 13.432 -13.044 1.982 1.00 0.00 N ATOM 976 CA THR A 65 13.274 -14.338 2.634 1.00 0.00 C ATOM 977 C THR A 65 11.948 -14.419 3.381 1.00 0.00 C ATOM 978 O THR A 65 11.449 -13.415 3.889 1.00 0.00 O ATOM 979 CB THR A 65 14.424 -14.614 3.621 1.00 0.00 C ATOM 980 OG1 THR A 65 14.329 -15.953 4.121 1.00 0.00 O ATOM 981 CG2 THR A 65 14.389 -13.630 4.781 1.00 0.00 C ATOM 0 H THR A 65 14.374 -12.657 2.036 1.00 0.00 H new ATOM 0 HA THR A 65 13.291 -15.092 1.847 1.00 0.00 H new ATOM 0 HB THR A 65 15.368 -14.491 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.064 -16.122 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.210 -13.844 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.490 -12.614 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.441 -13.726 5.311 1.00 0.00 H new ATOM 989 N GLU A 66 11.382 -15.620 3.444 1.00 0.00 N ATOM 990 CA GLU A 66 10.112 -15.831 4.130 1.00 0.00 C ATOM 991 C GLU A 66 10.329 -16.027 5.627 1.00 0.00 C ATOM 992 O GLU A 66 9.709 -16.891 6.247 1.00 0.00 O ATOM 993 CB GLU A 66 9.387 -17.045 3.545 1.00 0.00 C ATOM 994 CG GLU A 66 7.875 -16.972 3.678 1.00 0.00 C ATOM 995 CD GLU A 66 7.161 -17.947 2.762 1.00 0.00 C ATOM 996 OE1 GLU A 66 7.585 -19.120 2.696 1.00 0.00 O ATOM 997 OE2 GLU A 66 6.178 -17.536 2.110 1.00 0.00 O ATOM 0 H GLU A 66 11.782 -16.461 3.029 1.00 0.00 H new ATOM 0 HA GLU A 66 9.496 -14.944 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.647 -17.140 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.744 -17.946 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.595 -17.178 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.543 -15.958 3.453 1.00 0.00 H new ATOM 1004 N SER A 67 11.213 -15.217 6.202 1.00 0.00 N ATOM 1005 CA SER A 67 11.515 -15.303 7.626 1.00 0.00 C ATOM 1006 C SER A 67 11.119 -14.017 8.344 1.00 0.00 C ATOM 1007 O SER A 67 11.744 -12.973 8.161 1.00 0.00 O ATOM 1008 CB SER A 67 13.005 -15.580 7.837 1.00 0.00 C ATOM 1009 OG SER A 67 13.253 -16.067 9.144 1.00 0.00 O ATOM 0 H SER A 67 11.732 -14.494 5.704 1.00 0.00 H new ATOM 0 HA SER A 67 10.936 -16.126 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.350 -16.308 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.575 -14.666 7.672 1.00 0.00 H new ATOM 0 HG SER A 67 14.212 -16.238 9.253 1.00 0.00 H new ATOM 1015 N GLY A 68 10.075 -14.101 9.164 1.00 0.00 N ATOM 1016 CA GLY A 68 9.613 -12.938 9.897 1.00 0.00 C ATOM 1017 C GLY A 68 8.967 -13.305 11.219 1.00 0.00 C ATOM 1018 O GLY A 68 8.236 -14.291 11.324 1.00 0.00 O ATOM 0 H GLY A 68 9.542 -14.954 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.455 -12.270 10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.897 -12.388 9.286 1.00 0.00 H new ATOM 1022 N PRO A 69 9.236 -12.501 12.258 1.00 0.00 N ATOM 1023 CA PRO A 69 8.687 -12.727 13.598 1.00 0.00 C ATOM 1024 C PRO A 69 7.186 -12.466 13.660 1.00 0.00 C ATOM 1025 O PRO A 69 6.703 -11.441 13.179 1.00 0.00 O ATOM 1026 CB PRO A 69 9.441 -11.716 14.466 1.00 0.00 C ATOM 1027 CG PRO A 69 9.844 -10.634 13.524 1.00 0.00 C ATOM 1028 CD PRO A 69 10.098 -11.308 12.204 1.00 0.00 C ATOM 0 HA PRO A 69 8.810 -13.761 13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.808 -11.330 15.265 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.310 -12.172 14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.059 -9.883 13.434 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.738 -10.121 13.879 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.837 -10.662 11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.148 -11.576 12.085 1.00 0.00 H new ATOM 1036 N SER A 70 6.452 -13.401 14.255 1.00 0.00 N ATOM 1037 CA SER A 70 5.004 -13.274 14.378 1.00 0.00 C ATOM 1038 C SER A 70 4.612 -11.840 14.719 1.00 0.00 C ATOM 1039 O SER A 70 4.951 -11.329 15.787 1.00 0.00 O ATOM 1040 CB SER A 70 4.476 -14.228 15.450 1.00 0.00 C ATOM 1041 OG SER A 70 4.221 -15.513 14.909 1.00 0.00 O ATOM 0 H SER A 70 6.836 -14.255 14.660 1.00 0.00 H new ATOM 0 HA SER A 70 4.558 -13.536 13.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.202 -14.308 16.259 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.561 -13.824 15.882 1.00 0.00 H new ATOM 0 HG SER A 70 3.886 -16.105 15.615 1.00 0.00 H new ATOM 1047 N SER A 71 3.895 -11.195 13.803 1.00 0.00 N ATOM 1048 CA SER A 71 3.459 -9.818 14.004 1.00 0.00 C ATOM 1049 C SER A 71 1.943 -9.745 14.155 1.00 0.00 C ATOM 1050 O SER A 71 1.201 -10.321 13.360 1.00 0.00 O ATOM 1051 CB SER A 71 3.910 -8.942 12.834 1.00 0.00 C ATOM 1052 OG SER A 71 5.313 -9.020 12.649 1.00 0.00 O ATOM 0 H SER A 71 3.604 -11.604 12.915 1.00 0.00 H new ATOM 0 HA SER A 71 3.916 -9.448 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.402 -9.257 11.923 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.621 -7.907 13.018 1.00 0.00 H new ATOM 0 HG SER A 71 5.626 -9.916 12.894 1.00 0.00 H new ATOM 1058 N GLY A 72 1.490 -9.031 15.181 1.00 0.00 N ATOM 1059 CA GLY A 72 0.065 -8.895 15.418 1.00 0.00 C ATOM 1060 C GLY A 72 -0.612 -8.007 14.393 1.00 0.00 C ATOM 1061 O GLY A 72 -1.608 -8.423 13.803 1.00 0.00 O ATOM 0 H GLY A 72 2.084 -8.544 15.852 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.398 -9.881 15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.097 -8.483 16.414 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.147 7.489 -1.031 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.753 -2.433 -5.475 1.00 0.00 ZN