USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 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 -147:sc= -3.12 (180deg=-4.41!) USER MOD Set 1.2: A 53 THR OG1 : rot 38:sc= 0.0311 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 18:sc= 0.336 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.0156 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0.482) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -105:sc= 0 (180deg=-1.24) USER MOD Single : A 33 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.91) USER MOD Single : A 34 THR OG1 : rot -150:sc=-8.71e-05 USER MOD Single : A 36 GLN : amide:sc=-0.00991 X(o=-0.0099,f=-0.33) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 6:sc= -1.45 USER MOD Single : A 46 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0428 X(o=-0.043,f=-0.043) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0958) USER MOD Single : A 65 THR OG1 : rot 14:sc= 0.182 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= 0.736 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.559 43.572 -7.787 1.00 0.00 N ATOM 2 CA GLY A 1 24.165 44.969 -7.776 1.00 0.00 C ATOM 3 C GLY A 1 24.559 45.673 -6.493 1.00 0.00 C ATOM 4 O GLY A 1 25.108 46.774 -6.524 1.00 0.00 O ATOM 0 H1 GLY A 1 24.267 43.136 -8.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.592 43.502 -7.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.101 43.076 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.624 45.479 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.085 45.040 -7.909 1.00 0.00 H new ATOM 8 N SER A 2 24.276 45.037 -5.360 1.00 0.00 N ATOM 9 CA SER A 2 24.600 45.611 -4.060 1.00 0.00 C ATOM 10 C SER A 2 25.490 44.669 -3.255 1.00 0.00 C ATOM 11 O SER A 2 25.737 43.533 -3.661 1.00 0.00 O ATOM 12 CB SER A 2 23.319 45.912 -3.278 1.00 0.00 C ATOM 13 OG SER A 2 22.536 46.891 -3.940 1.00 0.00 O ATOM 0 H SER A 2 23.823 44.124 -5.317 1.00 0.00 H new ATOM 0 HA SER A 2 25.143 46.541 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.739 44.997 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.573 46.261 -2.277 1.00 0.00 H new ATOM 0 HG SER A 2 21.723 47.065 -3.422 1.00 0.00 H new ATOM 19 N SER A 3 25.969 45.149 -2.112 1.00 0.00 N ATOM 20 CA SER A 3 26.835 44.352 -1.252 1.00 0.00 C ATOM 21 C SER A 3 26.035 43.701 -0.128 1.00 0.00 C ATOM 22 O SER A 3 25.283 44.369 0.581 1.00 0.00 O ATOM 23 CB SER A 3 27.946 45.224 -0.663 1.00 0.00 C ATOM 24 OG SER A 3 27.421 46.173 0.248 1.00 0.00 O ATOM 0 H SER A 3 25.772 46.086 -1.760 1.00 0.00 H new ATOM 0 HA SER A 3 27.283 43.565 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.677 44.594 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.473 45.739 -1.466 1.00 0.00 H new ATOM 0 HG SER A 3 26.522 45.899 0.524 1.00 0.00 H new ATOM 30 N GLY A 4 26.202 42.391 0.028 1.00 0.00 N ATOM 31 CA GLY A 4 25.489 41.671 1.066 1.00 0.00 C ATOM 32 C GLY A 4 24.228 41.006 0.549 1.00 0.00 C ATOM 33 O GLY A 4 23.275 41.682 0.164 1.00 0.00 O ATOM 0 H GLY A 4 26.818 41.816 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.145 40.914 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.229 42.360 1.869 1.00 0.00 H new ATOM 37 N SER A 5 24.224 39.677 0.539 1.00 0.00 N ATOM 38 CA SER A 5 23.073 38.920 0.060 1.00 0.00 C ATOM 39 C SER A 5 21.853 39.171 0.941 1.00 0.00 C ATOM 40 O SER A 5 20.767 39.470 0.446 1.00 0.00 O ATOM 41 CB SER A 5 23.396 37.425 0.031 1.00 0.00 C ATOM 42 OG SER A 5 22.569 36.743 -0.896 1.00 0.00 O ATOM 0 H SER A 5 25.004 39.102 0.857 1.00 0.00 H new ATOM 0 HA SER A 5 22.844 39.255 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.443 37.281 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.260 37.001 1.026 1.00 0.00 H new ATOM 0 HG SER A 5 22.796 35.790 -0.897 1.00 0.00 H new ATOM 48 N SER A 6 22.041 39.047 2.251 1.00 0.00 N ATOM 49 CA SER A 6 20.956 39.257 3.203 1.00 0.00 C ATOM 50 C SER A 6 19.734 38.427 2.823 1.00 0.00 C ATOM 51 O SER A 6 18.601 38.902 2.894 1.00 0.00 O ATOM 52 CB SER A 6 20.582 40.739 3.263 1.00 0.00 C ATOM 53 OG SER A 6 19.893 41.042 4.464 1.00 0.00 O ATOM 0 H SER A 6 22.935 38.802 2.678 1.00 0.00 H new ATOM 0 HA SER A 6 21.300 38.937 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.483 41.348 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.957 40.995 2.407 1.00 0.00 H new ATOM 0 HG SER A 6 19.093 40.480 4.533 1.00 0.00 H new ATOM 59 N GLY A 7 19.972 37.182 2.421 1.00 0.00 N ATOM 60 CA GLY A 7 18.882 36.305 2.036 1.00 0.00 C ATOM 61 C GLY A 7 18.822 35.049 2.883 1.00 0.00 C ATOM 62 O GLY A 7 19.823 34.644 3.474 1.00 0.00 O ATOM 0 H GLY A 7 20.901 36.765 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.938 36.844 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.996 36.028 0.988 1.00 0.00 H new ATOM 66 N GLN A 8 17.646 34.433 2.942 1.00 0.00 N ATOM 67 CA GLN A 8 17.460 33.217 3.726 1.00 0.00 C ATOM 68 C GLN A 8 17.328 32.000 2.817 1.00 0.00 C ATOM 69 O GLN A 8 16.460 31.954 1.944 1.00 0.00 O ATOM 70 CB GLN A 8 16.221 33.343 4.614 1.00 0.00 C ATOM 71 CG GLN A 8 16.470 34.112 5.901 1.00 0.00 C ATOM 72 CD GLN A 8 15.205 34.724 6.470 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.097 34.390 6.049 1.00 0.00 O ATOM 74 NE2 GLN A 8 15.364 35.625 7.431 1.00 0.00 N ATOM 0 H GLN A 8 16.808 34.755 2.457 1.00 0.00 H new ATOM 0 HA GLN A 8 18.338 33.082 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.430 33.839 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.859 32.345 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.909 33.442 6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.198 34.901 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.301 35.871 7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.549 36.071 7.852 1.00 0.00 H new ATOM 83 N LEU A 9 18.194 31.015 3.027 1.00 0.00 N ATOM 84 CA LEU A 9 18.175 29.795 2.226 1.00 0.00 C ATOM 85 C LEU A 9 19.056 28.719 2.852 1.00 0.00 C ATOM 86 O LEU A 9 20.177 28.993 3.284 1.00 0.00 O ATOM 87 CB LEU A 9 18.645 30.090 0.801 1.00 0.00 C ATOM 88 CG LEU A 9 18.969 28.872 -0.064 1.00 0.00 C ATOM 89 CD1 LEU A 9 17.693 28.149 -0.468 1.00 0.00 C ATOM 90 CD2 LEU A 9 19.760 29.287 -1.296 1.00 0.00 C ATOM 0 H LEU A 9 18.918 31.037 3.745 1.00 0.00 H new ATOM 0 HA LEU A 9 17.150 29.426 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.873 30.673 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.534 30.719 0.856 1.00 0.00 H new ATOM 0 HG LEU A 9 19.581 28.187 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.944 27.285 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.164 27.817 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.055 28.826 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 9 19.982 28.407 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.173 29.992 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.693 29.759 -0.988 1.00 0.00 H new ATOM 102 N LEU A 10 18.544 27.494 2.897 1.00 0.00 N ATOM 103 CA LEU A 10 19.285 26.375 3.468 1.00 0.00 C ATOM 104 C LEU A 10 19.334 25.201 2.495 1.00 0.00 C ATOM 105 O LEU A 10 18.721 25.241 1.428 1.00 0.00 O ATOM 106 CB LEU A 10 18.646 25.934 4.786 1.00 0.00 C ATOM 107 CG LEU A 10 18.799 26.899 5.962 1.00 0.00 C ATOM 108 CD1 LEU A 10 17.917 26.468 7.124 1.00 0.00 C ATOM 109 CD2 LEU A 10 20.255 26.983 6.397 1.00 0.00 C ATOM 0 H LEU A 10 17.618 27.250 2.545 1.00 0.00 H new ATOM 0 HA LEU A 10 20.305 26.707 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.582 25.769 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.076 24.974 5.072 1.00 0.00 H new ATOM 0 HG LEU A 10 18.480 27.890 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.039 27.166 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.874 26.461 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.205 25.468 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.345 27.674 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.601 25.996 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.863 27.339 5.566 1.00 0.00 H new ATOM 121 N GLU A 11 20.065 24.157 2.872 1.00 0.00 N ATOM 122 CA GLU A 11 20.192 22.971 2.032 1.00 0.00 C ATOM 123 C GLU A 11 18.834 22.550 1.477 1.00 0.00 C ATOM 124 O GLU A 11 17.872 22.337 2.215 1.00 0.00 O ATOM 125 CB GLU A 11 20.809 21.819 2.828 1.00 0.00 C ATOM 126 CG GLU A 11 22.191 22.132 3.378 1.00 0.00 C ATOM 127 CD GLU A 11 22.654 21.113 4.402 1.00 0.00 C ATOM 128 OE1 GLU A 11 21.809 20.635 5.187 1.00 0.00 O ATOM 129 OE2 GLU A 11 23.862 20.796 4.418 1.00 0.00 O ATOM 0 H GLU A 11 20.578 24.108 3.752 1.00 0.00 H new ATOM 0 HA GLU A 11 20.847 23.217 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.147 21.564 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.872 20.939 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.906 22.167 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.181 23.122 3.834 1.00 0.00 H new ATOM 136 N PRO A 12 18.753 22.427 0.144 1.00 0.00 N ATOM 137 CA PRO A 12 17.519 22.031 -0.541 1.00 0.00 C ATOM 138 C PRO A 12 17.158 20.572 -0.286 1.00 0.00 C ATOM 139 O PRO A 12 17.885 19.853 0.400 1.00 0.00 O ATOM 140 CB PRO A 12 17.848 22.250 -2.020 1.00 0.00 C ATOM 141 CG PRO A 12 19.331 22.131 -2.100 1.00 0.00 C ATOM 142 CD PRO A 12 19.860 22.665 -0.798 1.00 0.00 C ATOM 0 HA PRO A 12 16.658 22.602 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.357 21.508 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.511 23.229 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.632 21.094 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.723 22.700 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.768 22.146 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.107 23.724 -0.869 1.00 0.00 H new ATOM 150 N ILE A 13 16.031 20.140 -0.844 1.00 0.00 N ATOM 151 CA ILE A 13 15.576 18.765 -0.678 1.00 0.00 C ATOM 152 C ILE A 13 16.218 17.845 -1.709 1.00 0.00 C ATOM 153 O ILE A 13 16.584 18.279 -2.801 1.00 0.00 O ATOM 154 CB ILE A 13 14.044 18.662 -0.797 1.00 0.00 C ATOM 155 CG1 ILE A 13 13.368 19.457 0.322 1.00 0.00 C ATOM 156 CG2 ILE A 13 13.606 17.205 -0.758 1.00 0.00 C ATOM 157 CD1 ILE A 13 13.634 18.901 1.704 1.00 0.00 C ATOM 0 H ILE A 13 15.417 20.722 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 13 15.877 18.451 0.322 1.00 0.00 H new ATOM 0 HB ILE A 13 13.740 19.087 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 13 13.713 20.490 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.292 19.473 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.521 17.149 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.063 16.665 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 13.920 16.756 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.124 19.514 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.264 17.878 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.706 18.910 1.900 1.00 0.00 H new ATOM 169 N ARG A 14 16.350 16.570 -1.356 1.00 0.00 N ATOM 170 CA ARG A 14 16.948 15.587 -2.252 1.00 0.00 C ATOM 171 C ARG A 14 16.048 14.364 -2.395 1.00 0.00 C ATOM 172 O ARG A 14 15.820 13.874 -3.501 1.00 0.00 O ATOM 173 CB ARG A 14 18.324 15.164 -1.734 1.00 0.00 C ATOM 174 CG ARG A 14 18.341 14.832 -0.251 1.00 0.00 C ATOM 175 CD ARG A 14 19.701 15.114 0.368 1.00 0.00 C ATOM 176 NE ARG A 14 19.812 14.568 1.718 1.00 0.00 N ATOM 177 CZ ARG A 14 19.156 15.057 2.764 1.00 0.00 C ATOM 178 NH1 ARG A 14 18.346 16.096 2.617 1.00 0.00 N ATOM 179 NH2 ARG A 14 19.309 14.505 3.962 1.00 0.00 N ATOM 0 H ARG A 14 16.051 16.194 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 14 17.063 16.048 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.663 14.294 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 14 19.037 15.965 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.578 15.417 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.086 13.782 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.481 14.686 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.870 16.190 0.397 1.00 0.00 H new ATOM 0 HE ARG A 14 20.427 13.768 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.225 16.522 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.844 16.469 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 14 19.931 13.705 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.805 14.881 4.765 1.00 0.00 H new ATOM 193 N ASP A 15 15.539 13.875 -1.269 1.00 0.00 N ATOM 194 CA ASP A 15 14.664 12.709 -1.268 1.00 0.00 C ATOM 195 C ASP A 15 13.823 12.662 0.004 1.00 0.00 C ATOM 196 O ASP A 15 14.356 12.571 1.110 1.00 0.00 O ATOM 197 CB ASP A 15 15.487 11.426 -1.398 1.00 0.00 C ATOM 198 CG ASP A 15 16.638 11.375 -0.413 1.00 0.00 C ATOM 199 OD1 ASP A 15 16.395 11.040 0.766 1.00 0.00 O ATOM 200 OD2 ASP A 15 17.781 11.670 -0.819 1.00 0.00 O ATOM 0 H ASP A 15 15.718 14.269 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 15 13.993 12.789 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.839 10.564 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.877 11.349 -2.413 1.00 0.00 H new ATOM 205 N PHE A 16 12.506 12.725 -0.161 1.00 0.00 N ATOM 206 CA PHE A 16 11.591 12.692 0.974 1.00 0.00 C ATOM 207 C PHE A 16 10.247 12.090 0.572 1.00 0.00 C ATOM 208 O PHE A 16 10.025 11.768 -0.594 1.00 0.00 O ATOM 209 CB PHE A 16 11.384 14.102 1.531 1.00 0.00 C ATOM 210 CG PHE A 16 12.364 14.471 2.608 1.00 0.00 C ATOM 211 CD1 PHE A 16 13.637 14.912 2.283 1.00 0.00 C ATOM 212 CD2 PHE A 16 12.013 14.378 3.945 1.00 0.00 C ATOM 213 CE1 PHE A 16 14.541 15.251 3.271 1.00 0.00 C ATOM 214 CE2 PHE A 16 12.913 14.716 4.938 1.00 0.00 C ATOM 215 CZ PHE A 16 14.178 15.154 4.600 1.00 0.00 C ATOM 0 H PHE A 16 12.048 12.799 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 16 12.034 12.065 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.464 14.821 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.372 14.182 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 16 13.926 14.992 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.024 14.037 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.531 15.592 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.627 14.638 5.977 1.00 0.00 H new ATOM 0 HZ PHE A 16 14.883 15.420 5.374 1.00 0.00 H new ATOM 225 N GLU A 17 9.357 11.941 1.548 1.00 0.00 N ATOM 226 CA GLU A 17 8.036 11.376 1.296 1.00 0.00 C ATOM 227 C GLU A 17 7.403 12.004 0.058 1.00 0.00 C ATOM 228 O GLU A 17 6.835 13.094 0.123 1.00 0.00 O ATOM 229 CB GLU A 17 7.128 11.586 2.509 1.00 0.00 C ATOM 230 CG GLU A 17 7.618 10.887 3.766 1.00 0.00 C ATOM 231 CD GLU A 17 8.660 11.694 4.514 1.00 0.00 C ATOM 232 OE1 GLU A 17 8.273 12.498 5.388 1.00 0.00 O ATOM 233 OE2 GLU A 17 9.863 11.522 4.226 1.00 0.00 O ATOM 0 H GLU A 17 9.526 12.203 2.519 1.00 0.00 H new ATOM 0 HA GLU A 17 8.153 10.307 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.043 12.654 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.128 11.226 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.771 10.696 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.038 9.918 3.498 1.00 0.00 H new ATOM 240 N ALA A 18 7.506 11.308 -1.070 1.00 0.00 N ATOM 241 CA ALA A 18 6.943 11.795 -2.323 1.00 0.00 C ATOM 242 C ALA A 18 5.895 10.830 -2.866 1.00 0.00 C ATOM 243 O ALA A 18 5.192 11.139 -3.828 1.00 0.00 O ATOM 244 CB ALA A 18 8.046 12.012 -3.348 1.00 0.00 C ATOM 0 H ALA A 18 7.974 10.405 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 18 6.453 12.748 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.611 12.376 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.756 12.746 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.562 11.070 -3.532 1.00 0.00 H new ATOM 250 N ARG A 19 5.796 9.660 -2.243 1.00 0.00 N ATOM 251 CA ARG A 19 4.835 8.649 -2.666 1.00 0.00 C ATOM 252 C ARG A 19 3.548 8.749 -1.853 1.00 0.00 C ATOM 253 O ARG A 19 3.322 7.968 -0.929 1.00 0.00 O ATOM 254 CB ARG A 19 5.436 7.250 -2.519 1.00 0.00 C ATOM 255 CG ARG A 19 6.159 6.763 -3.765 1.00 0.00 C ATOM 256 CD ARG A 19 5.216 6.029 -4.705 1.00 0.00 C ATOM 257 NE ARG A 19 5.672 6.085 -6.091 1.00 0.00 N ATOM 258 CZ ARG A 19 5.334 5.190 -7.013 1.00 0.00 C ATOM 259 NH1 ARG A 19 4.542 4.175 -6.697 1.00 0.00 N ATOM 260 NH2 ARG A 19 5.789 5.309 -8.253 1.00 0.00 N ATOM 0 H ARG A 19 6.369 9.389 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 19 4.597 8.826 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.133 7.250 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.641 6.546 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.604 7.612 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.976 6.101 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.131 4.988 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.220 6.466 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 19 6.284 6.853 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.191 4.080 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.284 3.489 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.399 6.088 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.529 4.621 -8.960 1.00 0.00 H new ATOM 274 N LYS A 20 2.706 9.715 -2.204 1.00 0.00 N ATOM 275 CA LYS A 20 1.441 9.919 -1.508 1.00 0.00 C ATOM 276 C LYS A 20 0.261 9.693 -2.449 1.00 0.00 C ATOM 277 O LYS A 20 0.422 9.669 -3.669 1.00 0.00 O ATOM 278 CB LYS A 20 1.378 11.331 -0.924 1.00 0.00 C ATOM 279 CG LYS A 20 2.330 11.552 0.239 1.00 0.00 C ATOM 280 CD LYS A 20 2.781 13.000 0.324 1.00 0.00 C ATOM 281 CE LYS A 20 3.639 13.387 -0.871 1.00 0.00 C ATOM 282 NZ LYS A 20 4.583 14.491 -0.542 1.00 0.00 N ATOM 0 H LYS A 20 2.877 10.370 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 20 1.380 9.194 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.605 12.051 -1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.360 11.533 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.840 11.267 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.200 10.905 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.909 13.652 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.346 13.153 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.202 12.517 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.996 13.693 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.937 14.919 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.090 15.214 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.382 14.113 0.005 1.00 0.00 H new ATOM 296 N CYS A 21 -0.925 9.530 -1.873 1.00 0.00 N ATOM 297 CA CYS A 21 -2.133 9.307 -2.659 1.00 0.00 C ATOM 298 C CYS A 21 -2.535 10.574 -3.410 1.00 0.00 C ATOM 299 O CYS A 21 -2.680 11.650 -2.829 1.00 0.00 O ATOM 300 CB CYS A 21 -3.279 8.853 -1.753 1.00 0.00 C ATOM 301 SG CYS A 21 -4.820 8.461 -2.644 1.00 0.00 S ATOM 0 H CYS A 21 -1.076 9.548 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.923 8.525 -3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.960 7.972 -1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.483 9.636 -1.023 1.00 0.00 H new ATOM 306 N PRO A 22 -2.718 10.445 -4.732 1.00 0.00 N ATOM 307 CA PRO A 22 -3.106 11.567 -5.591 1.00 0.00 C ATOM 308 C PRO A 22 -4.539 12.023 -5.337 1.00 0.00 C ATOM 309 O PRO A 22 -4.945 13.100 -5.774 1.00 0.00 O ATOM 310 CB PRO A 22 -2.968 10.997 -7.004 1.00 0.00 C ATOM 311 CG PRO A 22 -3.140 9.527 -6.838 1.00 0.00 C ATOM 312 CD PRO A 22 -2.561 9.192 -5.491 1.00 0.00 C ATOM 0 HA PRO A 22 -2.491 12.449 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.722 11.411 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.995 11.236 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.193 9.249 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.626 8.982 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.093 8.366 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.515 8.896 -5.566 1.00 0.00 H new ATOM 320 N VAL A 23 -5.302 11.196 -4.629 1.00 0.00 N ATOM 321 CA VAL A 23 -6.689 11.515 -4.316 1.00 0.00 C ATOM 322 C VAL A 23 -6.812 12.131 -2.927 1.00 0.00 C ATOM 323 O VAL A 23 -7.617 13.036 -2.706 1.00 0.00 O ATOM 324 CB VAL A 23 -7.584 10.263 -4.392 1.00 0.00 C ATOM 325 CG1 VAL A 23 -9.025 10.615 -4.055 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.490 9.624 -5.769 1.00 0.00 C ATOM 0 H VAL A 23 -4.982 10.300 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.023 12.237 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.231 9.540 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.642 9.718 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.073 11.023 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.394 11.356 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.128 8.741 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.816 10.339 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.458 9.334 -5.966 1.00 0.00 H new ATOM 336 N HIS A 24 -6.007 11.635 -1.993 1.00 0.00 N ATOM 337 CA HIS A 24 -6.025 12.137 -0.623 1.00 0.00 C ATOM 338 C HIS A 24 -4.773 12.959 -0.331 1.00 0.00 C ATOM 339 O HIS A 24 -4.854 14.058 0.218 1.00 0.00 O ATOM 340 CB HIS A 24 -6.130 10.977 0.367 1.00 0.00 C ATOM 341 CG HIS A 24 -7.444 10.260 0.311 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.628 9.079 -0.375 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.642 10.564 0.864 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.883 8.687 -0.244 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.520 9.571 0.504 1.00 0.00 N ATOM 0 H HIS A 24 -5.334 10.886 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.897 12.781 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.328 10.266 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.975 11.357 1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.865 11.426 1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.315 7.796 -0.675 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.503 9.524 0.771 1.00 0.00 H new ATOM 353 N GLY A 25 -3.616 12.418 -0.700 1.00 0.00 N ATOM 354 CA GLY A 25 -2.364 13.115 -0.467 1.00 0.00 C ATOM 355 C GLY A 25 -1.614 12.575 0.735 1.00 0.00 C ATOM 356 O GLY A 25 -0.827 13.288 1.357 1.00 0.00 O ATOM 0 H GLY A 25 -3.523 11.510 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.734 13.030 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.565 14.176 -0.319 1.00 0.00 H new ATOM 360 N LYS A 26 -1.860 11.311 1.064 1.00 0.00 N ATOM 361 CA LYS A 26 -1.203 10.675 2.200 1.00 0.00 C ATOM 362 C LYS A 26 -0.166 9.659 1.730 1.00 0.00 C ATOM 363 O LYS A 26 -0.396 8.919 0.772 1.00 0.00 O ATOM 364 CB LYS A 26 -2.237 9.987 3.094 1.00 0.00 C ATOM 365 CG LYS A 26 -3.244 10.945 3.707 1.00 0.00 C ATOM 366 CD LYS A 26 -2.564 11.978 4.590 1.00 0.00 C ATOM 367 CE LYS A 26 -3.555 12.644 5.533 1.00 0.00 C ATOM 368 NZ LYS A 26 -2.986 13.868 6.161 1.00 0.00 N ATOM 0 H LYS A 26 -2.509 10.707 0.560 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.694 11.450 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.770 9.238 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.719 9.457 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.797 11.450 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.970 10.384 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.774 11.500 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.088 12.735 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.460 12.905 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.846 11.938 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.692 14.292 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.137 13.616 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.731 14.552 5.420 1.00 0.00 H new ATOM 382 N THR A 27 0.975 9.627 2.410 1.00 0.00 N ATOM 383 CA THR A 27 2.047 8.703 2.063 1.00 0.00 C ATOM 384 C THR A 27 1.529 7.272 1.971 1.00 0.00 C ATOM 385 O THR A 27 1.424 6.574 2.979 1.00 0.00 O ATOM 386 CB THR A 27 3.192 8.757 3.091 1.00 0.00 C ATOM 387 OG1 THR A 27 3.694 10.094 3.194 1.00 0.00 O ATOM 388 CG2 THR A 27 4.320 7.816 2.696 1.00 0.00 C ATOM 0 H THR A 27 1.181 10.231 3.206 1.00 0.00 H new ATOM 0 HA THR A 27 2.429 9.013 1.090 1.00 0.00 H new ATOM 0 HB THR A 27 2.798 8.441 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.421 10.121 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.117 7.872 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.942 6.795 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.711 8.106 1.721 1.00 0.00 H new ATOM 396 N MET A 28 1.208 6.840 0.756 1.00 0.00 N ATOM 397 CA MET A 28 0.703 5.490 0.533 1.00 0.00 C ATOM 398 C MET A 28 1.579 4.459 1.237 1.00 0.00 C ATOM 399 O MET A 28 2.673 4.141 0.773 1.00 0.00 O ATOM 400 CB MET A 28 0.642 5.186 -0.965 1.00 0.00 C ATOM 401 CG MET A 28 -0.455 5.945 -1.695 1.00 0.00 C ATOM 402 SD MET A 28 -0.649 5.411 -3.406 1.00 0.00 S ATOM 403 CE MET A 28 0.562 6.447 -4.224 1.00 0.00 C ATOM 0 H MET A 28 1.289 7.405 -0.089 1.00 0.00 H new ATOM 0 HA MET A 28 -0.303 5.432 0.949 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.604 5.430 -1.416 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.487 4.116 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.399 5.809 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.229 7.011 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.053 7.246 -4.763 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.231 6.880 -3.481 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.140 5.846 -4.926 1.00 0.00 H new ATOM 413 N GLU A 29 1.090 3.942 2.360 1.00 0.00 N ATOM 414 CA GLU A 29 1.831 2.947 3.128 1.00 0.00 C ATOM 415 C GLU A 29 1.190 1.569 2.994 1.00 0.00 C ATOM 416 O GLU A 29 1.357 0.707 3.858 1.00 0.00 O ATOM 417 CB GLU A 29 1.893 3.352 4.602 1.00 0.00 C ATOM 418 CG GLU A 29 2.197 4.825 4.817 1.00 0.00 C ATOM 419 CD GLU A 29 2.913 5.087 6.128 1.00 0.00 C ATOM 420 OE1 GLU A 29 2.435 4.600 7.173 1.00 0.00 O ATOM 421 OE2 GLU A 29 3.951 5.781 6.108 1.00 0.00 O ATOM 0 H GLU A 29 0.186 4.195 2.758 1.00 0.00 H new ATOM 0 HA GLU A 29 2.844 2.897 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.941 3.113 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.656 2.756 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.810 5.190 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.266 5.391 4.796 1.00 0.00 H new ATOM 428 N LEU A 30 0.457 1.367 1.904 1.00 0.00 N ATOM 429 CA LEU A 30 -0.210 0.094 1.656 1.00 0.00 C ATOM 430 C LEU A 30 -0.115 -0.292 0.183 1.00 0.00 C ATOM 431 O LEU A 30 0.303 0.509 -0.654 1.00 0.00 O ATOM 432 CB LEU A 30 -1.677 0.173 2.081 1.00 0.00 C ATOM 433 CG LEU A 30 -1.951 0.839 3.429 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.311 1.519 3.422 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.867 -0.181 4.555 1.00 0.00 C ATOM 0 H LEU A 30 0.310 2.069 1.178 1.00 0.00 H new ATOM 0 HA LEU A 30 0.292 -0.672 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.228 0.715 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.081 -0.839 2.110 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.189 1.600 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.488 1.988 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.334 2.279 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.087 0.778 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.065 0.311 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.606 -0.965 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.870 -0.621 4.574 1.00 0.00 H new ATOM 447 N PHE A 31 -0.507 -1.523 -0.127 1.00 0.00 N ATOM 448 CA PHE A 31 -0.468 -2.016 -1.499 1.00 0.00 C ATOM 449 C PHE A 31 -1.636 -2.959 -1.772 1.00 0.00 C ATOM 450 O PHE A 31 -1.813 -3.962 -1.081 1.00 0.00 O ATOM 451 CB PHE A 31 0.856 -2.734 -1.768 1.00 0.00 C ATOM 452 CG PHE A 31 0.943 -3.339 -3.140 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.233 -2.550 -4.242 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.734 -4.695 -3.328 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.312 -3.104 -5.505 1.00 0.00 C ATOM 456 CE2 PHE A 31 0.812 -5.255 -4.589 1.00 0.00 C ATOM 457 CZ PHE A 31 1.103 -4.459 -5.679 1.00 0.00 C ATOM 0 H PHE A 31 -0.856 -2.198 0.554 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.552 -1.160 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.676 -2.027 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.992 -3.519 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.399 -1.491 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.507 -5.323 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.537 -2.478 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.646 -6.314 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.167 -4.894 -6.665 1.00 0.00 H new ATOM 467 N CYS A 32 -2.429 -2.629 -2.786 1.00 0.00 N ATOM 468 CA CYS A 32 -3.581 -3.445 -3.152 1.00 0.00 C ATOM 469 C CYS A 32 -3.138 -4.754 -3.798 1.00 0.00 C ATOM 470 O CYS A 32 -2.205 -4.776 -4.600 1.00 0.00 O ATOM 471 CB CYS A 32 -4.495 -2.675 -4.107 1.00 0.00 C ATOM 472 SG CYS A 32 -6.105 -3.474 -4.403 1.00 0.00 S ATOM 0 H CYS A 32 -2.295 -1.803 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.133 -3.679 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.666 -1.677 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.983 -2.550 -5.061 1.00 0.00 H new ATOM 477 N GLN A 33 -3.814 -5.842 -3.443 1.00 0.00 N ATOM 478 CA GLN A 33 -3.489 -7.154 -3.989 1.00 0.00 C ATOM 479 C GLN A 33 -4.348 -7.464 -5.210 1.00 0.00 C ATOM 480 O GLN A 33 -4.069 -8.402 -5.957 1.00 0.00 O ATOM 481 CB GLN A 33 -3.685 -8.235 -2.924 1.00 0.00 C ATOM 482 CG GLN A 33 -2.761 -8.085 -1.727 1.00 0.00 C ATOM 483 CD GLN A 33 -2.577 -9.383 -0.965 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.548 -10.062 -0.629 1.00 0.00 O ATOM 485 NE2 GLN A 33 -1.328 -9.735 -0.687 1.00 0.00 N ATOM 0 H GLN A 33 -4.589 -5.841 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.444 -7.143 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.719 -8.211 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.523 -9.213 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.789 -7.726 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.164 -7.327 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.553 -9.142 -0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.143 -10.598 -0.176 1.00 0.00 H new ATOM 494 N THR A 34 -5.396 -6.670 -5.407 1.00 0.00 N ATOM 495 CA THR A 34 -6.298 -6.861 -6.536 1.00 0.00 C ATOM 496 C THR A 34 -5.707 -6.278 -7.815 1.00 0.00 C ATOM 497 O THR A 34 -5.431 -7.004 -8.770 1.00 0.00 O ATOM 498 CB THR A 34 -7.670 -6.211 -6.275 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.378 -6.949 -5.272 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.496 -6.160 -7.552 1.00 0.00 C ATOM 0 H THR A 34 -5.641 -5.888 -4.799 1.00 0.00 H new ATOM 0 HA THR A 34 -6.431 -7.936 -6.657 1.00 0.00 H new ATOM 0 HB THR A 34 -7.505 -5.191 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.342 -6.873 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.460 -5.697 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.967 -5.574 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.653 -7.172 -7.925 1.00 0.00 H new ATOM 508 N ASP A 35 -5.515 -4.963 -7.827 1.00 0.00 N ATOM 509 CA ASP A 35 -4.956 -4.283 -8.989 1.00 0.00 C ATOM 510 C ASP A 35 -3.441 -4.154 -8.866 1.00 0.00 C ATOM 511 O ASP A 35 -2.790 -3.540 -9.710 1.00 0.00 O ATOM 512 CB ASP A 35 -5.586 -2.899 -9.149 1.00 0.00 C ATOM 513 CG ASP A 35 -5.944 -2.268 -7.817 1.00 0.00 C ATOM 514 OD1 ASP A 35 -5.054 -2.176 -6.947 1.00 0.00 O ATOM 515 OD2 ASP A 35 -7.115 -1.868 -7.646 1.00 0.00 O ATOM 0 H ASP A 35 -5.738 -4.347 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.182 -4.881 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.894 -2.247 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.484 -2.980 -9.762 1.00 0.00 H new ATOM 520 N GLN A 36 -2.886 -4.737 -7.807 1.00 0.00 N ATOM 521 CA GLN A 36 -1.448 -4.685 -7.573 1.00 0.00 C ATOM 522 C GLN A 36 -0.927 -3.257 -7.700 1.00 0.00 C ATOM 523 O GLN A 36 0.038 -2.998 -8.421 1.00 0.00 O ATOM 524 CB GLN A 36 -0.716 -5.597 -8.559 1.00 0.00 C ATOM 525 CG GLN A 36 -0.899 -7.078 -8.268 1.00 0.00 C ATOM 526 CD GLN A 36 0.091 -7.598 -7.244 1.00 0.00 C ATOM 527 OE1 GLN A 36 1.292 -7.344 -7.340 1.00 0.00 O ATOM 528 NE2 GLN A 36 -0.409 -8.331 -6.256 1.00 0.00 N ATOM 0 H GLN A 36 -3.411 -5.250 -7.099 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.258 -5.033 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.071 -5.387 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.348 -5.360 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.913 -7.251 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.789 -7.643 -9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.411 -8.517 -6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.209 -8.708 -5.538 1.00 0.00 H new ATOM 537 N THR A 37 -1.571 -2.332 -6.995 1.00 0.00 N ATOM 538 CA THR A 37 -1.174 -0.931 -7.030 1.00 0.00 C ATOM 539 C THR A 37 -0.966 -0.383 -5.623 1.00 0.00 C ATOM 540 O THR A 37 -1.285 -1.046 -4.635 1.00 0.00 O ATOM 541 CB THR A 37 -2.224 -0.067 -7.755 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.648 1.187 -8.136 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.434 0.174 -6.866 1.00 0.00 C ATOM 0 H THR A 37 -2.370 -2.529 -6.393 1.00 0.00 H new ATOM 0 HA THR A 37 -0.233 -0.883 -7.579 1.00 0.00 H new ATOM 0 HB THR A 37 -2.550 -0.603 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.321 1.729 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.161 0.786 -7.399 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.888 -0.781 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.122 0.690 -5.958 1.00 0.00 H new ATOM 551 N CYS A 38 -0.431 0.830 -5.539 1.00 0.00 N ATOM 552 CA CYS A 38 -0.181 1.467 -4.251 1.00 0.00 C ATOM 553 C CYS A 38 -1.354 2.353 -3.845 1.00 0.00 C ATOM 554 O CYS A 38 -1.932 3.054 -4.677 1.00 0.00 O ATOM 555 CB CYS A 38 1.103 2.296 -4.309 1.00 0.00 C ATOM 556 SG CYS A 38 2.593 1.326 -4.639 1.00 0.00 S ATOM 0 H CYS A 38 -0.162 1.392 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.066 0.683 -3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.998 3.056 -5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.227 2.821 -3.362 1.00 0.00 H new ATOM 0 HG CYS A 38 3.626 2.115 -4.671 1.00 0.00 H new ATOM 562 N ILE A 39 -1.702 2.315 -2.563 1.00 0.00 N ATOM 563 CA ILE A 39 -2.807 3.115 -2.048 1.00 0.00 C ATOM 564 C ILE A 39 -2.550 3.544 -0.608 1.00 0.00 C ATOM 565 O ILE A 39 -1.614 3.069 0.036 1.00 0.00 O ATOM 566 CB ILE A 39 -4.138 2.342 -2.112 1.00 0.00 C ATOM 567 CG1 ILE A 39 -4.023 1.021 -1.349 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.537 2.092 -3.558 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.355 0.468 -0.894 1.00 0.00 C ATOM 0 H ILE A 39 -1.235 1.739 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.879 4.000 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.914 2.945 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.531 0.285 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.383 1.168 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.479 1.545 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.655 3.045 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.763 1.506 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.197 -0.469 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.840 1.185 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.990 0.289 -1.762 1.00 0.00 H new ATOM 581 N CYS A 40 -3.388 4.445 -0.106 1.00 0.00 N ATOM 582 CA CYS A 40 -3.254 4.939 1.259 1.00 0.00 C ATOM 583 C CYS A 40 -4.290 4.294 2.175 1.00 0.00 C ATOM 584 O CYS A 40 -5.157 3.547 1.720 1.00 0.00 O ATOM 585 CB CYS A 40 -3.407 6.461 1.290 1.00 0.00 C ATOM 586 SG CYS A 40 -5.093 7.047 0.927 1.00 0.00 S ATOM 0 H CYS A 40 -4.168 4.848 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.260 4.673 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.111 6.825 2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.718 6.899 0.568 1.00 0.00 H new ATOM 591 N TYR A 41 -4.194 4.588 3.467 1.00 0.00 N ATOM 592 CA TYR A 41 -5.121 4.035 4.448 1.00 0.00 C ATOM 593 C TYR A 41 -6.544 4.519 4.185 1.00 0.00 C ATOM 594 O TYR A 41 -7.502 3.752 4.287 1.00 0.00 O ATOM 595 CB TYR A 41 -4.690 4.425 5.863 1.00 0.00 C ATOM 596 CG TYR A 41 -3.990 5.763 5.936 1.00 0.00 C ATOM 597 CD1 TYR A 41 -2.616 5.861 5.753 1.00 0.00 C ATOM 598 CD2 TYR A 41 -4.702 6.929 6.189 1.00 0.00 C ATOM 599 CE1 TYR A 41 -1.972 7.081 5.820 1.00 0.00 C ATOM 600 CE2 TYR A 41 -4.067 8.154 6.256 1.00 0.00 C ATOM 601 CZ TYR A 41 -2.702 8.224 6.071 1.00 0.00 C ATOM 602 OH TYR A 41 -2.064 9.442 6.138 1.00 0.00 O ATOM 0 H TYR A 41 -3.484 5.206 3.859 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.104 2.949 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.569 4.448 6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.026 3.655 6.257 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.042 4.968 5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.771 6.877 6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.903 7.140 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.636 9.051 6.452 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.122 9.332 5.893 1.00 0.00 H new ATOM 612 N LEU A 42 -6.674 5.797 3.847 1.00 0.00 N ATOM 613 CA LEU A 42 -7.979 6.386 3.568 1.00 0.00 C ATOM 614 C LEU A 42 -8.616 5.742 2.340 1.00 0.00 C ATOM 615 O LEU A 42 -9.820 5.867 2.115 1.00 0.00 O ATOM 616 CB LEU A 42 -7.845 7.894 3.356 1.00 0.00 C ATOM 617 CG LEU A 42 -7.335 8.698 4.553 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.156 10.160 4.176 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.288 8.562 5.732 1.00 0.00 C ATOM 0 H LEU A 42 -5.892 6.445 3.759 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.624 6.203 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.171 8.064 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.820 8.288 3.068 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.365 8.299 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.793 10.717 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.435 10.240 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.112 10.573 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.909 9.141 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.272 8.935 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.366 7.513 6.018 1.00 0.00 H new ATOM 631 N CYS A 43 -7.800 5.052 1.550 1.00 0.00 N ATOM 632 CA CYS A 43 -8.283 4.387 0.346 1.00 0.00 C ATOM 633 C CYS A 43 -8.808 2.991 0.669 1.00 0.00 C ATOM 634 O CYS A 43 -9.893 2.609 0.231 1.00 0.00 O ATOM 635 CB CYS A 43 -7.164 4.295 -0.694 1.00 0.00 C ATOM 636 SG CYS A 43 -7.083 5.718 -1.828 1.00 0.00 S ATOM 0 H CYS A 43 -6.801 4.939 1.722 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.102 4.979 -0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.209 4.201 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.300 3.385 -1.279 1.00 0.00 H new ATOM 641 N MET A 44 -8.031 2.236 1.438 1.00 0.00 N ATOM 642 CA MET A 44 -8.419 0.883 1.821 1.00 0.00 C ATOM 643 C MET A 44 -9.736 0.892 2.590 1.00 0.00 C ATOM 644 O MET A 44 -10.360 -0.151 2.784 1.00 0.00 O ATOM 645 CB MET A 44 -7.323 0.236 2.670 1.00 0.00 C ATOM 646 CG MET A 44 -7.252 0.782 4.087 1.00 0.00 C ATOM 647 SD MET A 44 -6.808 -0.481 5.296 1.00 0.00 S ATOM 648 CE MET A 44 -5.294 -1.117 4.580 1.00 0.00 C ATOM 0 H MET A 44 -7.130 2.537 1.808 1.00 0.00 H new ATOM 0 HA MET A 44 -8.555 0.299 0.910 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.494 -0.840 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.360 0.387 2.182 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.520 1.589 4.125 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.217 1.213 4.355 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.206 -2.181 4.801 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.313 -0.972 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.441 -0.586 5.002 1.00 0.00 H new ATOM 658 N PHE A 45 -10.153 2.076 3.027 1.00 0.00 N ATOM 659 CA PHE A 45 -11.395 2.221 3.777 1.00 0.00 C ATOM 660 C PHE A 45 -12.550 2.587 2.849 1.00 0.00 C ATOM 661 O PHE A 45 -13.695 2.203 3.086 1.00 0.00 O ATOM 662 CB PHE A 45 -11.239 3.288 4.862 1.00 0.00 C ATOM 663 CG PHE A 45 -10.035 3.083 5.736 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.637 1.807 6.102 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.300 4.166 6.191 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.529 1.615 6.906 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.191 3.980 6.994 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.806 2.703 7.353 1.00 0.00 C ATOM 0 H PHE A 45 -9.649 2.949 2.874 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.620 1.264 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.172 4.268 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.133 3.295 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.199 0.953 5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.597 5.167 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.229 0.615 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.626 4.832 7.341 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.941 2.556 7.982 1.00 0.00 H new ATOM 678 N GLN A 46 -12.240 3.333 1.794 1.00 0.00 N ATOM 679 CA GLN A 46 -13.252 3.753 0.832 1.00 0.00 C ATOM 680 C GLN A 46 -12.943 3.206 -0.557 1.00 0.00 C ATOM 681 O GLN A 46 -13.585 2.265 -1.021 1.00 0.00 O ATOM 682 CB GLN A 46 -13.339 5.280 0.785 1.00 0.00 C ATOM 683 CG GLN A 46 -14.350 5.862 1.759 1.00 0.00 C ATOM 684 CD GLN A 46 -15.777 5.736 1.264 1.00 0.00 C ATOM 685 OE1 GLN A 46 -16.042 5.833 0.065 1.00 0.00 O ATOM 686 NE2 GLN A 46 -16.707 5.518 2.187 1.00 0.00 N ATOM 0 H GLN A 46 -11.297 3.659 1.584 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.213 3.351 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.356 5.698 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.602 5.590 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.257 5.355 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.120 6.914 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.443 5.444 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.685 5.424 1.913 1.00 0.00 H new ATOM 695 N GLU A 47 -11.954 3.803 -1.216 1.00 0.00 N ATOM 696 CA GLU A 47 -11.561 3.375 -2.554 1.00 0.00 C ATOM 697 C GLU A 47 -11.503 1.853 -2.643 1.00 0.00 C ATOM 698 O GLU A 47 -12.353 1.224 -3.274 1.00 0.00 O ATOM 699 CB GLU A 47 -10.201 3.971 -2.925 1.00 0.00 C ATOM 700 CG GLU A 47 -10.269 5.432 -3.339 1.00 0.00 C ATOM 701 CD GLU A 47 -10.823 5.616 -4.738 1.00 0.00 C ATOM 702 OE1 GLU A 47 -10.055 5.447 -5.708 1.00 0.00 O ATOM 703 OE2 GLU A 47 -12.025 5.931 -4.863 1.00 0.00 O ATOM 0 H GLU A 47 -11.411 4.583 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.311 3.734 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.527 3.874 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.770 3.391 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.892 5.978 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.271 5.867 -3.287 1.00 0.00 H new ATOM 710 N HIS A 48 -10.493 1.267 -2.008 1.00 0.00 N ATOM 711 CA HIS A 48 -10.323 -0.182 -2.015 1.00 0.00 C ATOM 712 C HIS A 48 -10.807 -0.792 -0.703 1.00 0.00 C ATOM 713 O HIS A 48 -10.005 -1.148 0.162 1.00 0.00 O ATOM 714 CB HIS A 48 -8.856 -0.543 -2.249 1.00 0.00 C ATOM 715 CG HIS A 48 -8.218 0.233 -3.359 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.701 -0.361 -4.491 1.00 0.00 N ATOM 717 CD2 HIS A 48 -8.016 1.563 -3.509 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.207 0.570 -5.288 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.386 1.746 -4.715 1.00 0.00 N ATOM 0 H HIS A 48 -9.780 1.773 -1.482 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.924 -0.590 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.297 -0.372 -1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.784 -1.607 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.298 2.336 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.737 0.398 -6.245 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.102 2.645 -5.105 1.00 0.00 H new ATOM 727 N LYS A 49 -12.123 -0.909 -0.560 1.00 0.00 N ATOM 728 CA LYS A 49 -12.714 -1.477 0.646 1.00 0.00 C ATOM 729 C LYS A 49 -12.866 -2.989 0.518 1.00 0.00 C ATOM 730 O LYS A 49 -12.643 -3.728 1.476 1.00 0.00 O ATOM 731 CB LYS A 49 -14.078 -0.838 0.918 1.00 0.00 C ATOM 732 CG LYS A 49 -14.795 -1.425 2.122 1.00 0.00 C ATOM 733 CD LYS A 49 -15.686 -0.396 2.797 1.00 0.00 C ATOM 734 CE LYS A 49 -15.823 -0.668 4.287 1.00 0.00 C ATOM 735 NZ LYS A 49 -16.835 0.220 4.922 1.00 0.00 N ATOM 0 H LYS A 49 -12.801 -0.618 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.047 -1.267 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.944 0.233 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.708 -0.957 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.396 -2.278 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.062 -1.798 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.272 0.601 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.672 -0.406 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.106 -1.709 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.858 -0.524 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.899 0.003 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.553 1.213 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.762 0.065 4.476 1.00 0.00 H new ATOM 749 N ASN A 50 -13.244 -3.443 -0.673 1.00 0.00 N ATOM 750 CA ASN A 50 -13.424 -4.868 -0.926 1.00 0.00 C ATOM 751 C ASN A 50 -12.089 -5.538 -1.234 1.00 0.00 C ATOM 752 O ASN A 50 -11.714 -6.522 -0.595 1.00 0.00 O ATOM 753 CB ASN A 50 -14.395 -5.082 -2.089 1.00 0.00 C ATOM 754 CG ASN A 50 -15.555 -4.105 -2.061 1.00 0.00 C ATOM 755 OD1 ASN A 50 -15.778 -3.361 -3.016 1.00 0.00 O ATOM 756 ND2 ASN A 50 -16.301 -4.104 -0.962 1.00 0.00 N ATOM 0 H ASN A 50 -13.431 -2.845 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.839 -5.322 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.858 -4.977 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.781 -6.101 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.096 -3.469 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.079 -4.738 -0.195 1.00 0.00 H new ATOM 763 N HIS A 51 -11.374 -4.999 -2.216 1.00 0.00 N ATOM 764 CA HIS A 51 -10.079 -5.544 -2.608 1.00 0.00 C ATOM 765 C HIS A 51 -9.258 -5.929 -1.381 1.00 0.00 C ATOM 766 O HIS A 51 -9.499 -5.433 -0.281 1.00 0.00 O ATOM 767 CB HIS A 51 -9.310 -4.529 -3.453 1.00 0.00 C ATOM 768 CG HIS A 51 -10.004 -4.162 -4.728 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.609 -3.107 -5.524 1.00 0.00 N ATOM 770 CD2 HIS A 51 -11.074 -4.717 -5.345 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.406 -3.029 -6.575 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.304 -3.994 -6.490 1.00 0.00 N ATOM 0 H HIS A 51 -11.669 -4.185 -2.755 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.254 -6.441 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.149 -3.626 -2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.326 -4.936 -3.688 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.641 -5.569 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.335 -2.300 -7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.047 -4.173 -7.165 1.00 0.00 H new ATOM 780 N SER A 52 -8.289 -6.817 -1.579 1.00 0.00 N ATOM 781 CA SER A 52 -7.435 -7.272 -0.488 1.00 0.00 C ATOM 782 C SER A 52 -6.204 -6.381 -0.354 1.00 0.00 C ATOM 783 O SER A 52 -5.225 -6.539 -1.085 1.00 0.00 O ATOM 784 CB SER A 52 -7.007 -8.722 -0.718 1.00 0.00 C ATOM 785 OG SER A 52 -7.960 -9.626 -0.186 1.00 0.00 O ATOM 0 H SER A 52 -8.076 -7.236 -2.484 1.00 0.00 H new ATOM 0 HA SER A 52 -8.007 -7.212 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.886 -8.904 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.037 -8.896 -0.253 1.00 0.00 H new ATOM 0 HG SER A 52 -7.664 -10.546 -0.348 1.00 0.00 H new ATOM 791 N THR A 53 -6.259 -5.443 0.587 1.00 0.00 N ATOM 792 CA THR A 53 -5.150 -4.525 0.817 1.00 0.00 C ATOM 793 C THR A 53 -4.185 -5.080 1.859 1.00 0.00 C ATOM 794 O THR A 53 -4.604 -5.650 2.866 1.00 0.00 O ATOM 795 CB THR A 53 -5.651 -3.144 1.281 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.707 -3.302 2.236 1.00 0.00 O ATOM 797 CG2 THR A 53 -6.146 -2.324 0.100 1.00 0.00 C ATOM 0 H THR A 53 -7.060 -5.299 1.202 1.00 0.00 H new ATOM 0 HA THR A 53 -4.629 -4.413 -0.134 1.00 0.00 H new ATOM 0 HB THR A 53 -4.818 -2.616 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.513 -4.069 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.495 -1.353 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.332 -2.181 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.967 -2.849 -0.389 1.00 0.00 H new ATOM 805 N VAL A 54 -2.891 -4.908 1.611 1.00 0.00 N ATOM 806 CA VAL A 54 -1.866 -5.390 2.529 1.00 0.00 C ATOM 807 C VAL A 54 -0.761 -4.355 2.711 1.00 0.00 C ATOM 808 O VAL A 54 -0.289 -3.756 1.744 1.00 0.00 O ATOM 809 CB VAL A 54 -1.242 -6.708 2.032 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.298 -7.799 1.947 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.565 -6.503 0.686 1.00 0.00 C ATOM 0 H VAL A 54 -2.527 -4.438 0.782 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.356 -5.567 3.486 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.484 -7.024 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.839 -8.723 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.732 -7.963 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.081 -7.494 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.130 -7.444 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.300 -6.163 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.221 -5.755 0.784 1.00 0.00 H new ATOM 821 N THR A 55 -0.351 -4.149 3.959 1.00 0.00 N ATOM 822 CA THR A 55 0.699 -3.186 4.269 1.00 0.00 C ATOM 823 C THR A 55 1.921 -3.401 3.385 1.00 0.00 C ATOM 824 O THR A 55 2.449 -4.510 3.296 1.00 0.00 O ATOM 825 CB THR A 55 1.125 -3.277 5.746 1.00 0.00 C ATOM 826 OG1 THR A 55 1.048 -4.634 6.196 1.00 0.00 O ATOM 827 CG2 THR A 55 0.244 -2.397 6.620 1.00 0.00 C ATOM 0 H THR A 55 -0.730 -4.636 4.771 1.00 0.00 H new ATOM 0 HA THR A 55 0.286 -2.195 4.078 1.00 0.00 H new ATOM 0 HB THR A 55 2.154 -2.926 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.322 -4.683 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.565 -2.478 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.328 -1.360 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.793 -2.721 6.534 1.00 0.00 H new ATOM 835 N VAL A 56 2.368 -2.333 2.731 1.00 0.00 N ATOM 836 CA VAL A 56 3.531 -2.405 1.854 1.00 0.00 C ATOM 837 C VAL A 56 4.599 -3.327 2.431 1.00 0.00 C ATOM 838 O VAL A 56 5.033 -4.274 1.777 1.00 0.00 O ATOM 839 CB VAL A 56 4.144 -1.011 1.620 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.364 -1.109 0.717 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.108 -0.066 1.030 1.00 0.00 C ATOM 0 H VAL A 56 1.942 -1.408 2.792 1.00 0.00 H new ATOM 0 HA VAL A 56 3.185 -2.807 0.902 1.00 0.00 H new ATOM 0 HB VAL A 56 4.464 -0.608 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.783 -0.115 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.112 -1.750 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.072 -1.533 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.558 0.914 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.755 -0.462 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.268 0.028 1.718 1.00 0.00 H new ATOM 851 N GLU A 57 5.016 -3.043 3.661 1.00 0.00 N ATOM 852 CA GLU A 57 6.034 -3.848 4.326 1.00 0.00 C ATOM 853 C GLU A 57 5.724 -5.336 4.192 1.00 0.00 C ATOM 854 O GLU A 57 6.623 -6.151 3.990 1.00 0.00 O ATOM 855 CB GLU A 57 6.132 -3.467 5.805 1.00 0.00 C ATOM 856 CG GLU A 57 4.818 -3.603 6.556 1.00 0.00 C ATOM 857 CD GLU A 57 4.973 -3.380 8.048 1.00 0.00 C ATOM 858 OE1 GLU A 57 5.696 -2.439 8.435 1.00 0.00 O ATOM 859 OE2 GLU A 57 4.371 -4.147 8.828 1.00 0.00 O ATOM 0 H GLU A 57 4.665 -2.263 4.216 1.00 0.00 H new ATOM 0 HA GLU A 57 6.991 -3.649 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.882 -4.096 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.481 -2.438 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.100 -2.886 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.405 -4.597 6.382 1.00 0.00 H new ATOM 866 N GLU A 58 4.446 -5.681 4.308 1.00 0.00 N ATOM 867 CA GLU A 58 4.017 -7.071 4.201 1.00 0.00 C ATOM 868 C GLU A 58 4.311 -7.625 2.810 1.00 0.00 C ATOM 869 O GLU A 58 4.918 -8.686 2.668 1.00 0.00 O ATOM 870 CB GLU A 58 2.523 -7.192 4.506 1.00 0.00 C ATOM 871 CG GLU A 58 2.103 -8.583 4.951 1.00 0.00 C ATOM 872 CD GLU A 58 2.260 -8.789 6.445 1.00 0.00 C ATOM 873 OE1 GLU A 58 1.408 -8.284 7.206 1.00 0.00 O ATOM 874 OE2 GLU A 58 3.235 -9.455 6.853 1.00 0.00 O ATOM 0 H GLU A 58 3.690 -5.018 4.476 1.00 0.00 H new ATOM 0 HA GLU A 58 4.577 -7.655 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.261 -6.476 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.956 -6.918 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.063 -8.751 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.699 -9.326 4.421 1.00 0.00 H new ATOM 881 N ALA A 59 3.874 -6.900 1.786 1.00 0.00 N ATOM 882 CA ALA A 59 4.090 -7.317 0.406 1.00 0.00 C ATOM 883 C ALA A 59 5.567 -7.583 0.138 1.00 0.00 C ATOM 884 O ALA A 59 5.923 -8.552 -0.532 1.00 0.00 O ATOM 885 CB ALA A 59 3.559 -6.263 -0.554 1.00 0.00 C ATOM 0 H ALA A 59 3.368 -6.020 1.886 1.00 0.00 H new ATOM 0 HA ALA A 59 3.545 -8.247 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.727 -6.588 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.491 -6.125 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.078 -5.320 -0.382 1.00 0.00 H new ATOM 891 N LYS A 60 6.425 -6.716 0.666 1.00 0.00 N ATOM 892 CA LYS A 60 7.865 -6.856 0.485 1.00 0.00 C ATOM 893 C LYS A 60 8.368 -8.151 1.113 1.00 0.00 C ATOM 894 O LYS A 60 9.241 -8.822 0.562 1.00 0.00 O ATOM 895 CB LYS A 60 8.596 -5.660 1.099 1.00 0.00 C ATOM 896 CG LYS A 60 8.277 -4.339 0.422 1.00 0.00 C ATOM 897 CD LYS A 60 9.205 -3.232 0.894 1.00 0.00 C ATOM 898 CE LYS A 60 8.823 -2.740 2.282 1.00 0.00 C ATOM 899 NZ LYS A 60 9.486 -1.448 2.614 1.00 0.00 N ATOM 0 H LYS A 60 6.147 -5.908 1.223 1.00 0.00 H new ATOM 0 HA LYS A 60 8.070 -6.888 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.336 -5.589 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.670 -5.836 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.365 -4.452 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.244 -4.062 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.232 -3.597 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.170 -2.401 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.741 -2.619 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.099 -3.491 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.200 -1.146 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.518 -1.570 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.203 -0.725 1.923 1.00 0.00 H new ATOM 913 N ALA A 61 7.812 -8.498 2.269 1.00 0.00 N ATOM 914 CA ALA A 61 8.203 -9.715 2.971 1.00 0.00 C ATOM 915 C ALA A 61 8.199 -10.915 2.030 1.00 0.00 C ATOM 916 O ALA A 61 9.159 -11.685 1.988 1.00 0.00 O ATOM 917 CB ALA A 61 7.276 -9.964 4.152 1.00 0.00 C ATOM 0 H ALA A 61 7.089 -7.954 2.740 1.00 0.00 H new ATOM 0 HA ALA A 61 9.219 -9.581 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.579 -10.876 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.331 -9.122 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.252 -10.073 3.794 1.00 0.00 H new ATOM 923 N GLU A 62 7.113 -11.069 1.279 1.00 0.00 N ATOM 924 CA GLU A 62 6.985 -12.178 0.341 1.00 0.00 C ATOM 925 C GLU A 62 8.308 -12.443 -0.373 1.00 0.00 C ATOM 926 O GLU A 62 8.921 -13.496 -0.199 1.00 0.00 O ATOM 927 CB GLU A 62 5.890 -11.883 -0.686 1.00 0.00 C ATOM 928 CG GLU A 62 4.485 -12.142 -0.168 1.00 0.00 C ATOM 929 CD GLU A 62 4.279 -13.579 0.268 1.00 0.00 C ATOM 930 OE1 GLU A 62 4.964 -14.469 -0.279 1.00 0.00 O ATOM 931 OE2 GLU A 62 3.434 -13.815 1.157 1.00 0.00 O ATOM 0 H GLU A 62 6.310 -10.440 1.302 1.00 0.00 H new ATOM 0 HA GLU A 62 6.712 -13.069 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.967 -10.841 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.060 -12.495 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.284 -11.479 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.764 -11.896 -0.947 1.00 0.00 H new ATOM 938 N LYS A 63 8.743 -11.478 -1.177 1.00 0.00 N ATOM 939 CA LYS A 63 9.993 -11.604 -1.917 1.00 0.00 C ATOM 940 C LYS A 63 11.182 -11.689 -0.966 1.00 0.00 C ATOM 941 O LYS A 63 12.099 -12.482 -1.175 1.00 0.00 O ATOM 942 CB LYS A 63 10.169 -10.416 -2.866 1.00 0.00 C ATOM 943 CG LYS A 63 10.215 -9.073 -2.158 1.00 0.00 C ATOM 944 CD LYS A 63 10.614 -7.956 -3.107 1.00 0.00 C ATOM 945 CE LYS A 63 9.491 -7.621 -4.077 1.00 0.00 C ATOM 946 NZ LYS A 63 8.492 -6.697 -3.471 1.00 0.00 N ATOM 0 H LYS A 63 8.248 -10.600 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 63 9.950 -12.524 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.089 -10.549 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.349 -10.411 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.238 -8.854 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.924 -9.120 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.878 -7.067 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.502 -8.251 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.910 -7.165 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.994 -8.540 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.830 -6.373 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.966 -7.195 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.982 -5.877 -3.060 1.00 0.00 H new ATOM 960 N GLU A 64 11.159 -10.867 0.078 1.00 0.00 N ATOM 961 CA GLU A 64 12.236 -10.851 1.061 1.00 0.00 C ATOM 962 C GLU A 64 12.704 -12.268 1.378 1.00 0.00 C ATOM 963 O GLU A 64 11.970 -13.059 1.973 1.00 0.00 O ATOM 964 CB GLU A 64 11.776 -10.155 2.344 1.00 0.00 C ATOM 965 CG GLU A 64 12.916 -9.576 3.165 1.00 0.00 C ATOM 966 CD GLU A 64 13.417 -8.254 2.618 1.00 0.00 C ATOM 967 OE1 GLU A 64 12.628 -7.287 2.586 1.00 0.00 O ATOM 968 OE2 GLU A 64 14.600 -8.186 2.221 1.00 0.00 O ATOM 0 H GLU A 64 10.407 -10.204 0.265 1.00 0.00 H new ATOM 0 HA GLU A 64 13.073 -10.297 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.083 -9.354 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.224 -10.868 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.583 -9.436 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.739 -10.290 3.190 1.00 0.00 H new ATOM 975 N THR A 65 13.931 -12.584 0.976 1.00 0.00 N ATOM 976 CA THR A 65 14.497 -13.906 1.216 1.00 0.00 C ATOM 977 C THR A 65 15.396 -13.904 2.447 1.00 0.00 C ATOM 978 O THR A 65 16.309 -13.088 2.559 1.00 0.00 O ATOM 979 CB THR A 65 15.310 -14.397 0.002 1.00 0.00 C ATOM 980 OG1 THR A 65 14.497 -14.365 -1.176 1.00 0.00 O ATOM 981 CG2 THR A 65 15.824 -15.810 0.232 1.00 0.00 C ATOM 0 H THR A 65 14.552 -11.943 0.483 1.00 0.00 H new ATOM 0 HA THR A 65 13.659 -14.583 1.382 1.00 0.00 H new ATOM 0 HB THR A 65 16.165 -13.733 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.688 -13.840 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.395 -16.136 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.465 -15.825 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.981 -16.483 0.385 1.00 0.00 H new ATOM 989 N GLU A 66 15.130 -14.825 3.369 1.00 0.00 N ATOM 990 CA GLU A 66 15.915 -14.928 4.593 1.00 0.00 C ATOM 991 C GLU A 66 17.388 -15.170 4.275 1.00 0.00 C ATOM 992 O GLU A 66 17.792 -16.290 3.966 1.00 0.00 O ATOM 993 CB GLU A 66 15.381 -16.059 5.474 1.00 0.00 C ATOM 994 CG GLU A 66 15.773 -15.928 6.937 1.00 0.00 C ATOM 995 CD GLU A 66 14.831 -16.675 7.862 1.00 0.00 C ATOM 996 OE1 GLU A 66 14.696 -17.906 7.705 1.00 0.00 O ATOM 997 OE2 GLU A 66 14.230 -16.026 8.744 1.00 0.00 O ATOM 0 H GLU A 66 14.378 -15.509 3.291 1.00 0.00 H new ATOM 0 HA GLU A 66 15.827 -13.984 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 14.294 -16.084 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.749 -17.011 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.786 -16.306 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.787 -14.874 7.213 1.00 0.00 H new ATOM 1004 N SER A 67 18.186 -14.109 4.354 1.00 0.00 N ATOM 1005 CA SER A 67 19.613 -14.203 4.071 1.00 0.00 C ATOM 1006 C SER A 67 20.434 -13.632 5.223 1.00 0.00 C ATOM 1007 O SER A 67 19.940 -12.833 6.016 1.00 0.00 O ATOM 1008 CB SER A 67 19.947 -13.463 2.774 1.00 0.00 C ATOM 1009 OG SER A 67 21.174 -13.917 2.230 1.00 0.00 O ATOM 0 H SER A 67 17.868 -13.175 4.612 1.00 0.00 H new ATOM 0 HA SER A 67 19.867 -15.257 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.147 -13.613 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 67 20.005 -12.392 2.967 1.00 0.00 H new ATOM 0 HG SER A 67 21.364 -13.430 1.401 1.00 0.00 H new ATOM 1015 N GLY A 68 21.694 -14.049 5.307 1.00 0.00 N ATOM 1016 CA GLY A 68 22.565 -13.570 6.364 1.00 0.00 C ATOM 1017 C GLY A 68 23.700 -12.714 5.838 1.00 0.00 C ATOM 1018 O GLY A 68 23.926 -12.620 4.631 1.00 0.00 O ATOM 0 H GLY A 68 22.127 -14.710 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.979 -12.992 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 68 22.977 -14.422 6.905 1.00 0.00 H new ATOM 1022 N PRO A 69 24.435 -12.069 6.755 1.00 0.00 N ATOM 1023 CA PRO A 69 25.564 -11.204 6.400 1.00 0.00 C ATOM 1024 C PRO A 69 26.752 -11.993 5.860 1.00 0.00 C ATOM 1025 O PRO A 69 27.005 -13.120 6.286 1.00 0.00 O ATOM 1026 CB PRO A 69 25.927 -10.531 7.726 1.00 0.00 C ATOM 1027 CG PRO A 69 25.452 -11.478 8.774 1.00 0.00 C ATOM 1028 CD PRO A 69 24.221 -12.135 8.211 1.00 0.00 C ATOM 0 HA PRO A 69 25.305 -10.502 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 69 27.001 -10.362 7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.443 -9.559 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.217 -12.218 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.224 -10.952 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 69 24.121 -13.164 8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 69 23.313 -11.610 8.508 1.00 0.00 H new ATOM 1036 N SER A 70 27.477 -11.394 4.921 1.00 0.00 N ATOM 1037 CA SER A 70 28.637 -12.043 4.321 1.00 0.00 C ATOM 1038 C SER A 70 29.852 -11.121 4.352 1.00 0.00 C ATOM 1039 O SER A 70 29.719 -9.905 4.494 1.00 0.00 O ATOM 1040 CB SER A 70 28.329 -12.453 2.880 1.00 0.00 C ATOM 1041 OG SER A 70 28.195 -11.316 2.044 1.00 0.00 O ATOM 0 H SER A 70 27.282 -10.461 4.559 1.00 0.00 H new ATOM 0 HA SER A 70 28.866 -12.935 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 70 29.126 -13.094 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 70 27.410 -13.038 2.854 1.00 0.00 H new ATOM 0 HG SER A 70 28.000 -11.605 1.128 1.00 0.00 H new ATOM 1047 N SER A 71 31.036 -11.708 4.217 1.00 0.00 N ATOM 1048 CA SER A 71 32.276 -10.941 4.232 1.00 0.00 C ATOM 1049 C SER A 71 32.244 -9.835 3.182 1.00 0.00 C ATOM 1050 O SER A 71 32.163 -10.104 1.984 1.00 0.00 O ATOM 1051 CB SER A 71 33.473 -11.861 3.984 1.00 0.00 C ATOM 1052 OG SER A 71 33.404 -12.453 2.699 1.00 0.00 O ATOM 0 H SER A 71 31.163 -12.713 4.096 1.00 0.00 H new ATOM 0 HA SER A 71 32.378 -10.481 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 71 34.398 -11.292 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 71 33.501 -12.640 4.746 1.00 0.00 H new ATOM 0 HG SER A 71 32.978 -11.830 2.074 1.00 0.00 H new ATOM 1058 N GLY A 72 32.309 -8.589 3.641 1.00 0.00 N ATOM 1059 CA GLY A 72 32.286 -7.460 2.729 1.00 0.00 C ATOM 1060 C GLY A 72 33.440 -6.505 2.959 1.00 0.00 C ATOM 1061 O GLY A 72 34.378 -6.860 3.671 1.00 0.00 O ATOM 0 H GLY A 72 32.377 -8.341 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 72 32.320 -7.825 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 72 31.345 -6.922 2.845 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.253 7.730 -0.976 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.786 -2.189 -5.414 1.00 0.00 ZN