USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 GLN : amide:sc= -4.43 K(o=-6.4,f=-9.8!) USER MOD Set 1.2: A 58 HIS : no HD1:sc= -2.01 X(o=-6.4,f=-6.7!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -143:sc= 0.341 (180deg=-0.571) USER MOD Set 2.2: A 30 SER OG : rot 24:sc= 0.64 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0978 (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) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 SER OG : rot 160:sc= -0.297 USER MOD Single : A 23 GLN : amide:sc= -2.7 K(o=-2.7,f=-0.66) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.109 (180deg=-0.567) USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.512 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 167:sc= -1.73 (180deg=-1.93) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 161:sc= -0.0854 (180deg=-0.564) USER MOD Single : A 56 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -0.645 K(o=-0.64,f=-0.061) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.53 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 83:sc= -2.05! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.723 K(o=-0.72,f=-1.7!) USER MOD Single : A 86 THR OG1 : rot -3:sc= 0.279 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -65:sc= 1.11 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.176 33.445 30.624 1.00 0.00 N ATOM 2 CA GLY A 1 -12.843 33.845 29.269 1.00 0.00 C ATOM 3 C GLY A 1 -13.661 33.105 28.229 1.00 0.00 C ATOM 4 O GLY A 1 -14.643 32.441 28.559 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.418 34.287 31.185 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.989 32.796 30.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.360 32.965 31.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.006 34.917 29.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.783 33.664 29.090 1.00 0.00 H new ATOM 8 N SER A 2 -13.256 33.221 26.968 1.00 0.00 N ATOM 9 CA SER A 2 -13.961 32.563 25.875 1.00 0.00 C ATOM 10 C SER A 2 -12.976 31.930 24.896 1.00 0.00 C ATOM 11 O SER A 2 -11.779 31.845 25.170 1.00 0.00 O ATOM 12 CB SER A 2 -14.856 33.563 25.141 1.00 0.00 C ATOM 13 OG SER A 2 -14.099 34.372 24.258 1.00 0.00 O ATOM 0 H SER A 2 -12.443 33.765 26.678 1.00 0.00 H new ATOM 0 HA SER A 2 -14.582 31.774 26.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.623 33.027 24.581 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.372 34.194 25.865 1.00 0.00 H new ATOM 0 HG SER A 2 -14.694 35.002 23.800 1.00 0.00 H new ATOM 19 N SER A 3 -13.490 31.488 23.752 1.00 0.00 N ATOM 20 CA SER A 3 -12.658 30.860 22.733 1.00 0.00 C ATOM 21 C SER A 3 -13.229 31.104 21.339 1.00 0.00 C ATOM 22 O SER A 3 -14.006 32.034 21.129 1.00 0.00 O ATOM 23 CB SER A 3 -12.542 29.357 22.994 1.00 0.00 C ATOM 24 OG SER A 3 -11.189 28.937 22.966 1.00 0.00 O ATOM 0 H SER A 3 -14.478 31.553 23.508 1.00 0.00 H new ATOM 0 HA SER A 3 -11.665 31.307 22.783 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.980 29.118 23.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.112 28.809 22.243 1.00 0.00 H new ATOM 0 HG SER A 3 -11.142 27.973 23.137 1.00 0.00 H new ATOM 30 N GLY A 4 -12.837 30.259 20.390 1.00 0.00 N ATOM 31 CA GLY A 4 -13.318 30.399 19.028 1.00 0.00 C ATOM 32 C GLY A 4 -13.461 29.064 18.324 1.00 0.00 C ATOM 33 O GLY A 4 -13.096 28.024 18.871 1.00 0.00 O ATOM 0 H GLY A 4 -12.195 29.481 20.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.282 30.907 19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.630 31.031 18.466 1.00 0.00 H new ATOM 37 N SER A 5 -13.995 29.093 17.107 1.00 0.00 N ATOM 38 CA SER A 5 -14.190 27.875 16.329 1.00 0.00 C ATOM 39 C SER A 5 -13.550 28.003 14.950 1.00 0.00 C ATOM 40 O SER A 5 -12.892 28.999 14.649 1.00 0.00 O ATOM 41 CB SER A 5 -15.682 27.571 16.184 1.00 0.00 C ATOM 42 OG SER A 5 -15.971 26.238 16.569 1.00 0.00 O ATOM 0 H SER A 5 -14.300 29.946 16.639 1.00 0.00 H new ATOM 0 HA SER A 5 -13.708 27.054 16.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.259 28.263 16.798 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.990 27.729 15.150 1.00 0.00 H new ATOM 0 HG SER A 5 -16.931 26.069 16.469 1.00 0.00 H new ATOM 48 N SER A 6 -13.747 26.986 14.117 1.00 0.00 N ATOM 49 CA SER A 6 -13.186 26.982 12.771 1.00 0.00 C ATOM 50 C SER A 6 -13.732 25.811 11.959 1.00 0.00 C ATOM 51 O SER A 6 -13.614 24.654 12.360 1.00 0.00 O ATOM 52 CB SER A 6 -11.659 26.906 12.832 1.00 0.00 C ATOM 53 OG SER A 6 -11.067 27.772 11.878 1.00 0.00 O ATOM 0 H SER A 6 -14.290 26.155 14.350 1.00 0.00 H new ATOM 0 HA SER A 6 -13.477 27.910 12.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.318 27.174 13.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.335 25.882 12.648 1.00 0.00 H new ATOM 0 HG SER A 6 -10.091 27.707 11.938 1.00 0.00 H new ATOM 59 N GLY A 7 -14.331 26.122 10.813 1.00 0.00 N ATOM 60 CA GLY A 7 -14.887 25.087 9.961 1.00 0.00 C ATOM 61 C GLY A 7 -13.900 24.603 8.917 1.00 0.00 C ATOM 62 O GLY A 7 -12.921 25.285 8.617 1.00 0.00 O ATOM 0 H GLY A 7 -14.441 27.072 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.202 24.245 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.778 25.470 9.464 1.00 0.00 H new ATOM 66 N GLN A 8 -14.158 23.423 8.362 1.00 0.00 N ATOM 67 CA GLN A 8 -13.284 22.849 7.347 1.00 0.00 C ATOM 68 C GLN A 8 -14.093 22.110 6.286 1.00 0.00 C ATOM 69 O GLN A 8 -15.136 21.519 6.566 1.00 0.00 O ATOM 70 CB GLN A 8 -12.275 21.897 7.992 1.00 0.00 C ATOM 71 CG GLN A 8 -12.920 20.706 8.684 1.00 0.00 C ATOM 72 CD GLN A 8 -12.161 19.415 8.451 1.00 0.00 C ATOM 73 OE1 GLN A 8 -12.164 18.870 7.347 1.00 0.00 O ATOM 74 NE2 GLN A 8 -11.504 18.918 9.493 1.00 0.00 N ATOM 0 H GLN A 8 -14.965 22.846 8.599 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.746 23.664 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.589 21.534 7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.679 22.450 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.978 20.901 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.943 20.592 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.529 19.403 10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.975 18.051 9.396 1.00 0.00 H new ATOM 83 N PRO A 9 -13.603 22.144 5.038 1.00 0.00 N ATOM 84 CA PRO A 9 -14.266 21.482 3.910 1.00 0.00 C ATOM 85 C PRO A 9 -14.190 19.962 4.004 1.00 0.00 C ATOM 86 O PRO A 9 -13.106 19.392 4.134 1.00 0.00 O ATOM 87 CB PRO A 9 -13.481 21.983 2.695 1.00 0.00 C ATOM 88 CG PRO A 9 -12.136 22.334 3.231 1.00 0.00 C ATOM 89 CD PRO A 9 -12.365 22.830 4.632 1.00 0.00 C ATOM 0 HA PRO A 9 -15.331 21.711 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.412 21.215 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.964 22.848 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.476 21.467 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.660 23.100 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.532 22.578 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.478 23.914 4.661 1.00 0.00 H new ATOM 97 N ILE A 10 -15.346 19.311 3.936 1.00 0.00 N ATOM 98 CA ILE A 10 -15.409 17.857 4.012 1.00 0.00 C ATOM 99 C ILE A 10 -14.433 17.213 3.034 1.00 0.00 C ATOM 100 O ILE A 10 -14.026 17.828 2.049 1.00 0.00 O ATOM 101 CB ILE A 10 -16.830 17.339 3.718 1.00 0.00 C ATOM 102 CG1 ILE A 10 -17.272 16.356 4.803 1.00 0.00 C ATOM 103 CG2 ILE A 10 -16.880 16.681 2.347 1.00 0.00 C ATOM 104 CD1 ILE A 10 -17.995 15.142 4.261 1.00 0.00 C ATOM 0 H ILE A 10 -16.252 19.768 3.828 1.00 0.00 H new ATOM 0 HA ILE A 10 -15.134 17.582 5.030 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.517 18.185 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.396 16.027 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.924 16.873 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.890 16.320 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.602 17.408 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.184 15.843 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.279 14.489 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.890 15.460 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.338 14.601 3.580 1.00 0.00 H new ATOM 116 N LYS A 11 -14.061 15.968 3.312 1.00 0.00 N ATOM 117 CA LYS A 11 -13.134 15.236 2.456 1.00 0.00 C ATOM 118 C LYS A 11 -13.785 13.971 1.905 1.00 0.00 C ATOM 119 O LYS A 11 -14.932 13.663 2.227 1.00 0.00 O ATOM 120 CB LYS A 11 -11.867 14.874 3.234 1.00 0.00 C ATOM 121 CG LYS A 11 -10.699 15.805 2.961 1.00 0.00 C ATOM 122 CD LYS A 11 -9.629 15.126 2.121 1.00 0.00 C ATOM 123 CE LYS A 11 -8.721 16.143 1.447 1.00 0.00 C ATOM 124 NZ LYS A 11 -8.991 16.247 -0.014 1.00 0.00 N ATOM 0 H LYS A 11 -14.387 15.444 4.124 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.867 15.880 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.090 14.887 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.575 13.855 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.056 16.697 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.267 16.134 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.033 14.467 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.102 14.501 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.861 17.119 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.680 15.861 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.352 16.950 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.833 15.322 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.977 16.541 -0.165 1.00 0.00 H new ATOM 138 N GLN A 12 -13.044 13.243 1.076 1.00 0.00 N ATOM 139 CA GLN A 12 -13.551 12.012 0.482 1.00 0.00 C ATOM 140 C GLN A 12 -13.114 10.797 1.294 1.00 0.00 C ATOM 141 O GLN A 12 -12.179 10.874 2.089 1.00 0.00 O ATOM 142 CB GLN A 12 -13.061 11.878 -0.962 1.00 0.00 C ATOM 143 CG GLN A 12 -11.631 12.350 -1.165 1.00 0.00 C ATOM 144 CD GLN A 12 -10.989 11.750 -2.401 1.00 0.00 C ATOM 145 OE1 GLN A 12 -11.668 11.448 -3.383 1.00 0.00 O ATOM 146 NE2 GLN A 12 -9.673 11.575 -2.360 1.00 0.00 N ATOM 0 H GLN A 12 -12.092 13.484 0.801 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.640 12.057 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.137 10.834 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.720 12.450 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.619 13.437 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.038 12.088 -0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.149 11.839 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.186 11.176 -3.163 1.00 0.00 H new ATOM 155 N GLU A 13 -13.799 9.676 1.087 1.00 0.00 N ATOM 156 CA GLU A 13 -13.481 8.445 1.801 1.00 0.00 C ATOM 157 C GLU A 13 -12.538 7.569 0.983 1.00 0.00 C ATOM 158 O GLU A 13 -12.914 7.040 -0.064 1.00 0.00 O ATOM 159 CB GLU A 13 -14.762 7.672 2.124 1.00 0.00 C ATOM 160 CG GLU A 13 -16.016 8.299 1.538 1.00 0.00 C ATOM 161 CD GLU A 13 -17.285 7.781 2.186 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.198 6.815 2.973 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.365 8.343 1.906 1.00 0.00 O ATOM 0 H GLU A 13 -14.576 9.595 0.432 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.982 8.714 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.666 6.653 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.872 7.604 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.967 9.381 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.051 8.099 0.467 1.00 0.00 H new ATOM 170 N LEU A 14 -11.309 7.420 1.467 1.00 0.00 N ATOM 171 CA LEU A 14 -10.310 6.608 0.781 1.00 0.00 C ATOM 172 C LEU A 14 -10.535 5.124 1.052 1.00 0.00 C ATOM 173 O LEU A 14 -10.761 4.718 2.192 1.00 0.00 O ATOM 174 CB LEU A 14 -8.903 7.012 1.226 1.00 0.00 C ATOM 175 CG LEU A 14 -8.626 8.514 1.293 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.896 8.865 2.580 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.822 8.963 0.082 1.00 0.00 C ATOM 0 H LEU A 14 -10.981 7.851 2.331 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.410 6.782 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.719 6.584 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.184 6.560 0.543 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.580 9.041 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.707 9.938 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.509 8.580 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.948 8.329 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.634 10.035 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.872 8.429 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.383 8.747 -0.827 1.00 0.00 H new ATOM 189 N SER A 15 -10.468 4.318 -0.003 1.00 0.00 N ATOM 190 CA SER A 15 -10.666 2.879 0.120 1.00 0.00 C ATOM 191 C SER A 15 -9.367 2.127 -0.153 1.00 0.00 C ATOM 192 O SER A 15 -8.531 2.572 -0.939 1.00 0.00 O ATOM 193 CB SER A 15 -11.754 2.407 -0.846 1.00 0.00 C ATOM 194 OG SER A 15 -12.081 1.047 -0.622 1.00 0.00 O ATOM 0 H SER A 15 -10.278 4.638 -0.953 1.00 0.00 H new ATOM 0 HA SER A 15 -10.981 2.667 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.645 3.023 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.414 2.538 -1.873 1.00 0.00 H new ATOM 0 HG SER A 15 -12.964 0.856 -1.002 1.00 0.00 H new ATOM 200 N CYS A 16 -9.204 0.983 0.504 1.00 0.00 N ATOM 201 CA CYS A 16 -8.008 0.167 0.334 1.00 0.00 C ATOM 202 C CYS A 16 -8.294 -1.040 -0.555 1.00 0.00 C ATOM 203 O CYS A 16 -8.727 -2.089 -0.078 1.00 0.00 O ATOM 204 CB CYS A 16 -7.487 -0.301 1.694 1.00 0.00 C ATOM 205 SG CYS A 16 -6.409 -1.767 1.614 1.00 0.00 S ATOM 0 H CYS A 16 -9.886 0.600 1.159 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.247 0.780 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.937 0.516 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.337 -0.523 2.340 1.00 0.00 H new ATOM 210 N LYS A 17 -8.048 -0.884 -1.852 1.00 0.00 N ATOM 211 CA LYS A 17 -8.277 -1.959 -2.809 1.00 0.00 C ATOM 212 C LYS A 17 -7.155 -2.991 -2.748 1.00 0.00 C ATOM 213 O LYS A 17 -6.585 -3.363 -3.773 1.00 0.00 O ATOM 214 CB LYS A 17 -8.387 -1.393 -4.227 1.00 0.00 C ATOM 215 CG LYS A 17 -9.586 -0.483 -4.428 1.00 0.00 C ATOM 216 CD LYS A 17 -10.893 -1.231 -4.229 1.00 0.00 C ATOM 217 CE LYS A 17 -11.503 -0.937 -2.867 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.728 -1.747 -2.621 1.00 0.00 N ATOM 0 H LYS A 17 -7.690 -0.022 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.214 -2.451 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.478 -0.838 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.446 -2.219 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.533 0.351 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.558 -0.059 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.597 -0.950 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.719 -2.302 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.769 -1.143 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.749 0.123 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.423 -1.175 -2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.136 -2.044 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.482 -2.588 -2.061 1.00 0.00 H new ATOM 232 N TRP A 18 -6.845 -3.449 -1.540 1.00 0.00 N ATOM 233 CA TRP A 18 -5.792 -4.439 -1.346 1.00 0.00 C ATOM 234 C TRP A 18 -6.357 -5.853 -1.400 1.00 0.00 C ATOM 235 O TRP A 18 -6.846 -6.374 -0.396 1.00 0.00 O ATOM 236 CB TRP A 18 -5.087 -4.208 -0.008 1.00 0.00 C ATOM 237 CG TRP A 18 -3.936 -5.139 0.225 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.984 -6.370 0.815 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.566 -4.913 -0.125 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.727 -6.923 0.853 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.840 -6.049 0.282 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.883 -3.863 -0.743 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.465 -6.162 0.090 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.519 -3.975 -0.933 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.178 -5.118 -0.518 1.00 0.00 C ATOM 0 H TRP A 18 -7.307 -3.151 -0.681 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.069 -4.327 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.727 -3.180 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.809 -4.325 0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.879 -6.840 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.492 -7.836 1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.412 -2.979 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.074 -7.042 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.019 -3.169 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.244 -5.176 -0.681 1.00 0.00 H new ATOM 256 N ILE A 19 -6.288 -6.470 -2.574 1.00 0.00 N ATOM 257 CA ILE A 19 -6.793 -7.825 -2.756 1.00 0.00 C ATOM 258 C ILE A 19 -5.723 -8.859 -2.422 1.00 0.00 C ATOM 259 O ILE A 19 -4.980 -9.304 -3.297 1.00 0.00 O ATOM 260 CB ILE A 19 -7.280 -8.055 -4.199 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.277 -6.968 -4.603 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.910 -9.434 -4.331 1.00 0.00 C ATOM 263 CD1 ILE A 19 -7.965 -6.327 -5.938 1.00 0.00 C ATOM 0 H ILE A 19 -5.887 -6.053 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.635 -7.943 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.422 -8.002 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.277 -7.400 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.292 -6.196 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.249 -9.582 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.173 -10.196 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.760 -9.512 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.713 -5.566 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.978 -5.865 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.978 -7.087 -6.719 1.00 0.00 H new ATOM 275 N ASP A 20 -5.653 -9.240 -1.151 1.00 0.00 N ATOM 276 CA ASP A 20 -4.676 -10.224 -0.701 1.00 0.00 C ATOM 277 C ASP A 20 -4.812 -11.524 -1.488 1.00 0.00 C ATOM 278 O ASP A 20 -5.456 -11.561 -2.535 1.00 0.00 O ATOM 279 CB ASP A 20 -4.849 -10.499 0.794 1.00 0.00 C ATOM 280 CG ASP A 20 -3.523 -10.668 1.509 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.929 -11.763 1.407 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.078 -9.706 2.169 1.00 0.00 O ATOM 0 H ASP A 20 -6.261 -8.882 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.680 -9.817 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.402 -9.678 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.448 -11.400 0.928 1.00 0.00 H new ATOM 287 N GLU A 21 -4.198 -12.587 -0.977 1.00 0.00 N ATOM 288 CA GLU A 21 -4.250 -13.887 -1.634 1.00 0.00 C ATOM 289 C GLU A 21 -4.530 -14.997 -0.624 1.00 0.00 C ATOM 290 O GLU A 21 -3.918 -15.049 0.442 1.00 0.00 O ATOM 291 CB GLU A 21 -2.935 -14.167 -2.364 1.00 0.00 C ATOM 292 CG GLU A 21 -2.987 -15.389 -3.265 1.00 0.00 C ATOM 293 CD GLU A 21 -1.923 -15.363 -4.345 1.00 0.00 C ATOM 294 OE1 GLU A 21 -2.028 -14.522 -5.262 1.00 0.00 O ATOM 295 OE2 GLU A 21 -0.984 -16.185 -4.273 1.00 0.00 O ATOM 0 H GLU A 21 -3.659 -12.573 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.063 -13.866 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.669 -13.296 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.142 -14.302 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.864 -16.287 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.971 -15.451 -3.731 1.00 0.00 H new ATOM 302 N ALA A 22 -5.460 -15.881 -0.969 1.00 0.00 N ATOM 303 CA ALA A 22 -5.820 -16.990 -0.094 1.00 0.00 C ATOM 304 C ALA A 22 -6.573 -16.497 1.137 1.00 0.00 C ATOM 305 O ALA A 22 -6.932 -17.284 2.012 1.00 0.00 O ATOM 306 CB ALA A 22 -4.576 -17.762 0.320 1.00 0.00 C ATOM 0 H ALA A 22 -5.978 -15.851 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.480 -17.657 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.860 -18.587 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.080 -18.156 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.895 -17.097 0.851 1.00 0.00 H new ATOM 312 N GLN A 23 -6.806 -15.190 1.197 1.00 0.00 N ATOM 313 CA GLN A 23 -7.515 -14.592 2.322 1.00 0.00 C ATOM 314 C GLN A 23 -8.770 -15.390 2.662 1.00 0.00 C ATOM 315 O GLN A 23 -9.487 -15.847 1.771 1.00 0.00 O ATOM 316 CB GLN A 23 -7.889 -13.143 2.005 1.00 0.00 C ATOM 317 CG GLN A 23 -8.537 -12.966 0.641 1.00 0.00 C ATOM 318 CD GLN A 23 -8.135 -11.668 -0.031 1.00 0.00 C ATOM 319 OE1 GLN A 23 -8.172 -10.601 0.582 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.749 -11.752 -1.299 1.00 0.00 N ATOM 0 H GLN A 23 -6.514 -14.525 0.480 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.851 -14.608 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.571 -12.776 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.992 -12.526 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.261 -13.803 0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.621 -12.993 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.733 -12.657 -1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.468 -10.911 -1.803 1.00 0.00 H new ATOM 329 N LEU A 24 -9.028 -15.555 3.954 1.00 0.00 N ATOM 330 CA LEU A 24 -10.197 -16.299 4.412 1.00 0.00 C ATOM 331 C LEU A 24 -11.447 -15.872 3.650 1.00 0.00 C ATOM 332 O LEU A 24 -12.301 -16.697 3.326 1.00 0.00 O ATOM 333 CB LEU A 24 -10.403 -16.089 5.913 1.00 0.00 C ATOM 334 CG LEU A 24 -10.063 -17.280 6.810 1.00 0.00 C ATOM 335 CD1 LEU A 24 -9.726 -16.810 8.216 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.216 -18.272 6.839 1.00 0.00 C ATOM 0 H LEU A 24 -8.444 -15.184 4.704 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.022 -17.358 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.798 -15.239 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.445 -15.818 6.082 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.188 -17.783 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.487 -17.671 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.868 -16.139 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.581 -16.283 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.956 -19.113 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.109 -17.781 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.410 -18.634 5.829 1.00 0.00 H new ATOM 348 N SER A 25 -11.547 -14.577 3.366 1.00 0.00 N ATOM 349 CA SER A 25 -12.694 -14.040 2.643 1.00 0.00 C ATOM 350 C SER A 25 -12.492 -14.162 1.136 1.00 0.00 C ATOM 351 O SER A 25 -11.786 -13.359 0.525 1.00 0.00 O ATOM 352 CB SER A 25 -12.921 -12.575 3.021 1.00 0.00 C ATOM 353 OG SER A 25 -12.028 -12.168 4.043 1.00 0.00 O ATOM 0 H SER A 25 -10.848 -13.881 3.625 1.00 0.00 H new ATOM 0 HA SER A 25 -13.573 -14.621 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.785 -11.944 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.949 -12.438 3.356 1.00 0.00 H new ATOM 0 HG SER A 25 -12.192 -11.228 4.265 1.00 0.00 H new ATOM 359 N ARG A 26 -13.118 -15.174 0.542 1.00 0.00 N ATOM 360 CA ARG A 26 -13.007 -15.403 -0.894 1.00 0.00 C ATOM 361 C ARG A 26 -14.342 -15.155 -1.589 1.00 0.00 C ATOM 362 O ARG A 26 -15.402 -15.133 -0.962 1.00 0.00 O ATOM 363 CB ARG A 26 -12.535 -16.833 -1.168 1.00 0.00 C ATOM 364 CG ARG A 26 -11.029 -16.956 -1.333 1.00 0.00 C ATOM 365 CD ARG A 26 -10.650 -17.260 -2.774 1.00 0.00 C ATOM 366 NE ARG A 26 -9.515 -18.175 -2.860 1.00 0.00 N ATOM 367 CZ ARG A 26 -9.082 -18.704 -3.999 1.00 0.00 C ATOM 368 NH1 ARG A 26 -9.687 -18.411 -5.142 1.00 0.00 N ATOM 369 NH2 ARG A 26 -8.042 -19.528 -3.996 1.00 0.00 N ATOM 0 H ARG A 26 -13.706 -15.847 1.033 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.274 -14.702 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.856 -17.476 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.022 -17.201 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.550 -16.029 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.654 -17.746 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.506 -17.695 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.406 -16.331 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.028 -18.421 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.487 -17.778 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.353 -18.819 -6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.574 -19.756 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.710 -19.934 -4.871 1.00 0.00 H new ATOM 383 N PRO A 27 -14.292 -14.961 -2.915 1.00 0.00 N ATOM 384 CA PRO A 27 -13.037 -14.984 -3.672 1.00 0.00 C ATOM 385 C PRO A 27 -12.153 -13.780 -3.364 1.00 0.00 C ATOM 386 O PRO A 27 -12.601 -12.805 -2.760 1.00 0.00 O ATOM 387 CB PRO A 27 -13.501 -14.948 -5.130 1.00 0.00 C ATOM 388 CG PRO A 27 -14.839 -14.295 -5.086 1.00 0.00 C ATOM 389 CD PRO A 27 -15.458 -14.705 -3.778 1.00 0.00 C ATOM 0 HA PRO A 27 -12.428 -15.854 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.806 -14.385 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.564 -15.952 -5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.746 -13.211 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.456 -14.613 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.095 -13.920 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.079 -15.594 -3.888 1.00 0.00 H new ATOM 397 N LYS A 28 -10.894 -13.854 -3.783 1.00 0.00 N ATOM 398 CA LYS A 28 -9.947 -12.770 -3.555 1.00 0.00 C ATOM 399 C LYS A 28 -10.587 -11.416 -3.847 1.00 0.00 C ATOM 400 O LYS A 28 -10.570 -10.942 -4.983 1.00 0.00 O ATOM 401 CB LYS A 28 -8.705 -12.957 -4.429 1.00 0.00 C ATOM 402 CG LYS A 28 -7.885 -14.184 -4.067 1.00 0.00 C ATOM 403 CD LYS A 28 -6.884 -14.528 -5.157 1.00 0.00 C ATOM 404 CE LYS A 28 -7.395 -15.648 -6.049 1.00 0.00 C ATOM 405 NZ LYS A 28 -7.011 -15.442 -7.473 1.00 0.00 N ATOM 0 H LYS A 28 -10.506 -14.654 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.653 -12.794 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.013 -13.031 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.075 -12.072 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.357 -14.006 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.550 -15.032 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.684 -13.643 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.938 -14.825 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.997 -16.601 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.481 -15.708 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.378 -16.227 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.412 -14.545 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.974 -15.410 -7.552 1.00 0.00 H new ATOM 419 N LYS A 29 -11.151 -10.799 -2.815 1.00 0.00 N ATOM 420 CA LYS A 29 -11.795 -9.498 -2.959 1.00 0.00 C ATOM 421 C LYS A 29 -10.924 -8.392 -2.373 1.00 0.00 C ATOM 422 O LYS A 29 -9.819 -8.646 -1.894 1.00 0.00 O ATOM 423 CB LYS A 29 -13.162 -9.504 -2.272 1.00 0.00 C ATOM 424 CG LYS A 29 -13.094 -9.807 -0.785 1.00 0.00 C ATOM 425 CD LYS A 29 -14.446 -10.234 -0.240 1.00 0.00 C ATOM 426 CE LYS A 29 -15.282 -9.035 0.181 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.668 -8.306 1.325 1.00 0.00 N ATOM 0 H LYS A 29 -11.176 -11.179 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.931 -9.303 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.635 -8.533 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.799 -10.244 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.363 -10.596 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.747 -8.924 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.982 -10.804 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.303 -10.896 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.395 -8.356 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.282 -9.369 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.402 -7.768 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.231 -8.988 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.942 -7.652 0.970 1.00 0.00 H new ATOM 441 N SER A 30 -11.430 -7.163 -2.414 1.00 0.00 N ATOM 442 CA SER A 30 -10.696 -6.017 -1.889 1.00 0.00 C ATOM 443 C SER A 30 -10.743 -5.995 -0.364 1.00 0.00 C ATOM 444 O SER A 30 -11.808 -6.137 0.239 1.00 0.00 O ATOM 445 CB SER A 30 -11.275 -4.716 -2.447 1.00 0.00 C ATOM 446 OG SER A 30 -12.623 -4.543 -2.046 1.00 0.00 O ATOM 0 H SER A 30 -12.344 -6.936 -2.805 1.00 0.00 H new ATOM 0 HA SER A 30 -9.656 -6.108 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.679 -3.872 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.215 -4.725 -3.535 1.00 0.00 H new ATOM 0 HG SER A 30 -12.789 -5.055 -1.227 1.00 0.00 H new ATOM 452 N CYS A 31 -9.581 -5.815 0.255 1.00 0.00 N ATOM 453 CA CYS A 31 -9.487 -5.774 1.709 1.00 0.00 C ATOM 454 C CYS A 31 -10.612 -4.932 2.304 1.00 0.00 C ATOM 455 O CYS A 31 -11.088 -5.203 3.406 1.00 0.00 O ATOM 456 CB CYS A 31 -8.131 -5.209 2.137 1.00 0.00 C ATOM 457 SG CYS A 31 -8.167 -4.307 3.719 1.00 0.00 S ATOM 0 H CYS A 31 -8.691 -5.695 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.583 -6.793 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.416 -6.028 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.766 -4.540 1.358 1.00 0.00 H new ATOM 462 N ASP A 32 -11.031 -3.910 1.566 1.00 0.00 N ATOM 463 CA ASP A 32 -12.101 -3.028 2.018 1.00 0.00 C ATOM 464 C ASP A 32 -11.650 -2.196 3.214 1.00 0.00 C ATOM 465 O ASP A 32 -10.925 -2.681 4.083 1.00 0.00 O ATOM 466 CB ASP A 32 -13.341 -3.844 2.388 1.00 0.00 C ATOM 467 CG ASP A 32 -14.627 -3.181 1.934 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.669 -2.693 0.786 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.591 -3.150 2.728 1.00 0.00 O ATOM 0 H ASP A 32 -10.646 -3.672 0.652 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.351 -2.352 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.268 -4.834 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.370 -3.985 3.468 1.00 0.00 H new ATOM 474 N ARG A 33 -12.082 -0.940 3.251 1.00 0.00 N ATOM 475 CA ARG A 33 -11.721 -0.039 4.339 1.00 0.00 C ATOM 476 C ARG A 33 -12.135 1.394 4.019 1.00 0.00 C ATOM 477 O ARG A 33 -12.450 1.720 2.874 1.00 0.00 O ATOM 478 CB ARG A 33 -10.215 -0.100 4.601 1.00 0.00 C ATOM 479 CG ARG A 33 -9.846 -0.861 5.864 1.00 0.00 C ATOM 480 CD ARG A 33 -9.542 0.084 7.015 1.00 0.00 C ATOM 481 NE ARG A 33 -10.246 -0.297 8.237 1.00 0.00 N ATOM 482 CZ ARG A 33 -10.053 0.293 9.411 1.00 0.00 C ATOM 483 NH1 ARG A 33 -9.182 1.287 9.522 1.00 0.00 N ATOM 484 NH2 ARG A 33 -10.732 -0.110 10.477 1.00 0.00 N ATOM 0 H ARG A 33 -12.683 -0.523 2.540 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.252 -0.360 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.725 -0.570 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.826 0.916 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.665 -1.524 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.978 -1.491 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.468 0.093 7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.825 1.099 6.735 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.923 -1.058 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.658 1.600 8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.036 1.738 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.403 -0.874 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.583 0.344 11.378 1.00 0.00 H new ATOM 498 N THR A 34 -12.133 2.248 5.038 1.00 0.00 N ATOM 499 CA THR A 34 -12.509 3.645 4.866 1.00 0.00 C ATOM 500 C THR A 34 -11.620 4.561 5.699 1.00 0.00 C ATOM 501 O THR A 34 -11.587 4.463 6.926 1.00 0.00 O ATOM 502 CB THR A 34 -13.980 3.883 5.256 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.199 3.477 6.612 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.915 3.114 4.335 1.00 0.00 C ATOM 0 H THR A 34 -11.875 1.996 5.992 1.00 0.00 H new ATOM 0 HA THR A 34 -12.378 3.879 3.810 1.00 0.00 H new ATOM 0 HB THR A 34 -14.191 4.948 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.413 3.703 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.948 3.298 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.767 3.445 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.701 2.048 4.407 1.00 0.00 H new ATOM 512 N PHE A 35 -10.900 5.452 5.026 1.00 0.00 N ATOM 513 CA PHE A 35 -10.010 6.386 5.705 1.00 0.00 C ATOM 514 C PHE A 35 -10.369 7.829 5.359 1.00 0.00 C ATOM 515 O PHE A 35 -10.968 8.098 4.318 1.00 0.00 O ATOM 516 CB PHE A 35 -8.555 6.105 5.324 1.00 0.00 C ATOM 517 CG PHE A 35 -8.204 4.645 5.334 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.364 3.872 4.195 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.715 4.045 6.483 1.00 0.00 C ATOM 520 CE1 PHE A 35 -8.042 2.528 4.201 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.390 2.701 6.495 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.555 1.942 5.353 1.00 0.00 C ATOM 0 H PHE A 35 -10.915 5.547 4.011 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.130 6.248 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.363 6.510 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.898 6.633 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.745 4.325 3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.586 4.634 7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.171 1.937 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.008 2.245 7.396 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.304 0.892 5.361 1.00 0.00 H new ATOM 532 N SER A 36 -9.997 8.752 6.240 1.00 0.00 N ATOM 533 CA SER A 36 -10.283 10.166 6.032 1.00 0.00 C ATOM 534 C SER A 36 -9.019 10.924 5.638 1.00 0.00 C ATOM 535 O SER A 36 -9.083 11.975 4.999 1.00 0.00 O ATOM 536 CB SER A 36 -10.885 10.779 7.298 1.00 0.00 C ATOM 537 OG SER A 36 -12.286 10.574 7.347 1.00 0.00 O ATOM 0 H SER A 36 -9.497 8.546 7.105 1.00 0.00 H new ATOM 0 HA SER A 36 -11.004 10.249 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.418 10.336 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.669 11.847 7.327 1.00 0.00 H new ATOM 0 HG SER A 36 -12.647 10.973 8.166 1.00 0.00 H new ATOM 543 N THR A 37 -7.867 10.383 6.025 1.00 0.00 N ATOM 544 CA THR A 37 -6.587 11.006 5.715 1.00 0.00 C ATOM 545 C THR A 37 -5.748 10.116 4.806 1.00 0.00 C ATOM 546 O THR A 37 -5.645 8.909 5.027 1.00 0.00 O ATOM 547 CB THR A 37 -5.788 11.314 6.995 1.00 0.00 C ATOM 548 OG1 THR A 37 -6.106 10.359 8.013 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.089 12.718 7.497 1.00 0.00 C ATOM 0 H THR A 37 -7.795 9.514 6.554 1.00 0.00 H new ATOM 0 HA THR A 37 -6.807 11.941 5.200 1.00 0.00 H new ATOM 0 HB THR A 37 -4.726 11.251 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.592 10.561 8.823 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.513 12.912 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.817 13.444 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.153 12.805 7.718 1.00 0.00 H new ATOM 557 N MET A 38 -5.147 10.718 3.785 1.00 0.00 N ATOM 558 CA MET A 38 -4.314 9.978 2.844 1.00 0.00 C ATOM 559 C MET A 38 -3.180 9.262 3.570 1.00 0.00 C ATOM 560 O MET A 38 -2.634 8.278 3.070 1.00 0.00 O ATOM 561 CB MET A 38 -3.742 10.922 1.785 1.00 0.00 C ATOM 562 CG MET A 38 -3.531 10.262 0.432 1.00 0.00 C ATOM 563 SD MET A 38 -4.944 10.469 -0.670 1.00 0.00 S ATOM 564 CE MET A 38 -4.948 8.890 -1.514 1.00 0.00 C ATOM 0 H MET A 38 -5.221 11.716 3.588 1.00 0.00 H new ATOM 0 HA MET A 38 -4.938 9.230 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.415 11.771 1.665 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.790 11.318 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.643 10.684 -0.039 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.341 9.199 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.886 8.769 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.116 8.851 -2.217 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.844 8.087 -0.784 1.00 0.00 H new ATOM 574 N HIS A 39 -2.829 9.762 4.750 1.00 0.00 N ATOM 575 CA HIS A 39 -1.759 9.169 5.544 1.00 0.00 C ATOM 576 C HIS A 39 -2.143 7.768 6.014 1.00 0.00 C ATOM 577 O HIS A 39 -1.348 6.834 5.921 1.00 0.00 O ATOM 578 CB HIS A 39 -1.439 10.053 6.750 1.00 0.00 C ATOM 579 CG HIS A 39 -0.015 9.957 7.202 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.408 9.077 8.176 1.00 0.00 N ATOM 581 CD2 HIS A 39 1.087 10.637 6.807 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.708 9.220 8.361 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.145 10.160 7.542 1.00 0.00 N ATOM 0 H HIS A 39 -3.270 10.576 5.178 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.873 9.092 4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.663 11.090 6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.093 9.776 7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.127 11.410 6.054 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.311 8.663 9.063 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.111 10.480 7.468 1.00 0.00 H new ATOM 591 N GLU A 40 -3.365 7.633 6.518 1.00 0.00 N ATOM 592 CA GLU A 40 -3.853 6.347 7.003 1.00 0.00 C ATOM 593 C GLU A 40 -3.663 5.260 5.949 1.00 0.00 C ATOM 594 O GLU A 40 -2.930 4.294 6.161 1.00 0.00 O ATOM 595 CB GLU A 40 -5.330 6.448 7.387 1.00 0.00 C ATOM 596 CG GLU A 40 -5.589 7.352 8.580 1.00 0.00 C ATOM 597 CD GLU A 40 -5.561 6.601 9.898 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.718 5.691 10.043 1.00 0.00 O ATOM 599 OE2 GLU A 40 -6.380 6.924 10.783 1.00 0.00 O ATOM 0 H GLU A 40 -4.035 8.397 6.601 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.274 6.078 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.894 6.819 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.708 5.450 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.840 8.143 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.559 7.835 8.462 1.00 0.00 H new ATOM 606 N LEU A 41 -4.329 5.426 4.811 1.00 0.00 N ATOM 607 CA LEU A 41 -4.235 4.459 3.722 1.00 0.00 C ATOM 608 C LEU A 41 -2.799 3.977 3.545 1.00 0.00 C ATOM 609 O LEU A 41 -2.518 2.782 3.644 1.00 0.00 O ATOM 610 CB LEU A 41 -4.742 5.079 2.419 1.00 0.00 C ATOM 611 CG LEU A 41 -4.797 4.146 1.209 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.316 2.775 1.615 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.667 4.745 0.113 1.00 0.00 C ATOM 0 H LEU A 41 -4.939 6.220 4.618 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.858 3.601 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.743 5.475 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.103 5.926 2.170 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.786 4.028 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.348 2.125 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.654 2.343 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.319 2.874 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.695 4.068 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.678 4.893 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.252 5.704 -0.198 1.00 0.00 H new ATOM 625 N VAL A 42 -1.894 4.914 3.283 1.00 0.00 N ATOM 626 CA VAL A 42 -0.486 4.585 3.095 1.00 0.00 C ATOM 627 C VAL A 42 0.068 3.830 4.299 1.00 0.00 C ATOM 628 O VAL A 42 0.845 2.886 4.151 1.00 0.00 O ATOM 629 CB VAL A 42 0.360 5.851 2.863 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.837 5.497 2.770 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.103 6.579 1.610 1.00 0.00 C ATOM 0 H VAL A 42 -2.110 5.907 3.196 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.425 3.949 2.212 1.00 0.00 H new ATOM 0 HB VAL A 42 0.224 6.519 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.419 6.404 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.157 5.024 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.995 4.810 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.506 7.471 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.001 5.921 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.148 6.868 1.722 1.00 0.00 H new ATOM 641 N THR A 43 -0.338 4.252 5.492 1.00 0.00 N ATOM 642 CA THR A 43 0.118 3.617 6.723 1.00 0.00 C ATOM 643 C THR A 43 -0.617 2.304 6.968 1.00 0.00 C ATOM 644 O THR A 43 -0.180 1.476 7.769 1.00 0.00 O ATOM 645 CB THR A 43 -0.083 4.540 7.939 1.00 0.00 C ATOM 646 OG1 THR A 43 0.956 5.524 7.984 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.085 3.738 9.232 1.00 0.00 C ATOM 0 H THR A 43 -0.982 5.031 5.632 1.00 0.00 H new ATOM 0 HA THR A 43 1.183 3.417 6.601 1.00 0.00 H new ATOM 0 HB THR A 43 -1.048 5.036 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.820 6.108 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.228 4.411 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.895 3.009 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.867 3.218 9.339 1.00 0.00 H new ATOM 655 N HIS A 44 -1.736 2.119 6.275 1.00 0.00 N ATOM 656 CA HIS A 44 -2.532 0.904 6.417 1.00 0.00 C ATOM 657 C HIS A 44 -1.896 -0.255 5.656 1.00 0.00 C ATOM 658 O HIS A 44 -1.446 -1.232 6.254 1.00 0.00 O ATOM 659 CB HIS A 44 -3.956 1.140 5.914 1.00 0.00 C ATOM 660 CG HIS A 44 -4.760 -0.116 5.779 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.774 -0.458 6.649 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.695 -1.115 4.868 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.297 -1.613 6.279 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.661 -2.033 5.201 1.00 0.00 N ATOM 0 H HIS A 44 -2.112 2.794 5.610 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.567 0.644 7.475 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.467 1.817 6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.912 1.639 4.946 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.073 0.095 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.011 -1.178 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.108 -2.127 6.774 1.00 0.00 H new ATOM 672 N VAL A 45 -1.863 -0.139 4.332 1.00 0.00 N ATOM 673 CA VAL A 45 -1.281 -1.177 3.489 1.00 0.00 C ATOM 674 C VAL A 45 0.167 -1.454 3.877 1.00 0.00 C ATOM 675 O VAL A 45 0.756 -2.448 3.453 1.00 0.00 O ATOM 676 CB VAL A 45 -1.337 -0.786 2.000 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.855 -1.935 1.128 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.746 -0.366 1.611 1.00 0.00 C ATOM 0 H VAL A 45 -2.232 0.663 3.820 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.873 -2.079 3.643 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.673 0.064 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.902 -1.640 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.173 -2.184 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.491 -2.805 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.766 -0.093 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.434 -1.194 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.050 0.491 2.213 1.00 0.00 H new ATOM 688 N THR A 46 0.736 -0.567 4.687 1.00 0.00 N ATOM 689 CA THR A 46 2.116 -0.715 5.133 1.00 0.00 C ATOM 690 C THR A 46 2.253 -1.863 6.125 1.00 0.00 C ATOM 691 O THR A 46 2.935 -2.851 5.855 1.00 0.00 O ATOM 692 CB THR A 46 2.636 0.579 5.787 1.00 0.00 C ATOM 693 OG1 THR A 46 2.990 1.531 4.778 1.00 0.00 O ATOM 694 CG2 THR A 46 3.844 0.293 6.667 1.00 0.00 C ATOM 0 H THR A 46 0.263 0.261 5.048 1.00 0.00 H new ATOM 0 HA THR A 46 2.713 -0.931 4.247 1.00 0.00 H new ATOM 0 HB THR A 46 1.841 0.989 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.279 2.201 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.194 1.222 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.564 -0.409 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.641 -0.139 6.062 1.00 0.00 H new ATOM 702 N MET A 47 1.600 -1.727 7.275 1.00 0.00 N ATOM 703 CA MET A 47 1.649 -2.756 8.307 1.00 0.00 C ATOM 704 C MET A 47 0.479 -3.725 8.164 1.00 0.00 C ATOM 705 O MET A 47 0.665 -4.942 8.180 1.00 0.00 O ATOM 706 CB MET A 47 1.628 -2.116 9.697 1.00 0.00 C ATOM 707 CG MET A 47 0.313 -2.308 10.435 1.00 0.00 C ATOM 708 SD MET A 47 0.330 -1.578 12.084 1.00 0.00 S ATOM 709 CE MET A 47 0.507 0.158 11.684 1.00 0.00 C ATOM 0 H MET A 47 1.031 -0.915 7.515 1.00 0.00 H new ATOM 0 HA MET A 47 2.578 -3.314 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.436 -2.539 10.295 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.828 -1.049 9.600 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.494 -1.863 9.853 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.098 -3.374 10.516 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.201 0.761 12.539 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.548 0.372 11.443 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.120 0.400 10.826 1.00 0.00 H new ATOM 719 N GLU A 48 -0.724 -3.178 8.024 1.00 0.00 N ATOM 720 CA GLU A 48 -1.922 -3.995 7.879 1.00 0.00 C ATOM 721 C GLU A 48 -1.710 -5.093 6.840 1.00 0.00 C ATOM 722 O GLU A 48 -2.151 -6.228 7.021 1.00 0.00 O ATOM 723 CB GLU A 48 -3.116 -3.125 7.481 1.00 0.00 C ATOM 724 CG GLU A 48 -3.296 -1.899 8.362 1.00 0.00 C ATOM 725 CD GLU A 48 -3.423 -2.250 9.831 1.00 0.00 C ATOM 726 OE1 GLU A 48 -2.450 -2.790 10.398 1.00 0.00 O ATOM 727 OE2 GLU A 48 -4.495 -1.986 10.414 1.00 0.00 O ATOM 0 H GLU A 48 -0.895 -2.172 8.008 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.129 -4.464 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.992 -2.804 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.023 -3.728 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.447 -1.230 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.186 -1.355 8.044 1.00 0.00 H new ATOM 734 N HIS A 49 -1.032 -4.745 5.751 1.00 0.00 N ATOM 735 CA HIS A 49 -0.761 -5.699 4.682 1.00 0.00 C ATOM 736 C HIS A 49 0.734 -5.980 4.571 1.00 0.00 C ATOM 737 O HIS A 49 1.224 -6.993 5.070 1.00 0.00 O ATOM 738 CB HIS A 49 -1.293 -5.169 3.350 1.00 0.00 C ATOM 739 CG HIS A 49 -2.785 -5.056 3.302 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.630 -6.063 3.720 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.584 -4.046 2.885 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.883 -5.677 3.560 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.883 -4.457 3.055 1.00 0.00 N ATOM 0 H HIS A 49 -0.660 -3.810 5.586 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.271 -6.632 4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.857 -4.189 3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.961 -5.828 2.548 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.334 -6.964 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.260 -3.094 2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.759 -6.260 3.801 1.00 0.00 H new ATOM 751 N VAL A 50 1.454 -5.077 3.913 1.00 0.00 N ATOM 752 CA VAL A 50 2.894 -5.228 3.737 1.00 0.00 C ATOM 753 C VAL A 50 3.559 -5.701 5.025 1.00 0.00 C ATOM 754 O VAL A 50 4.605 -6.347 4.994 1.00 0.00 O ATOM 755 CB VAL A 50 3.546 -3.906 3.291 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.931 -3.760 3.902 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.614 -3.832 1.773 1.00 0.00 C ATOM 0 H VAL A 50 1.064 -4.233 3.493 1.00 0.00 H new ATOM 0 HA VAL A 50 3.041 -5.978 2.960 1.00 0.00 H new ATOM 0 HB VAL A 50 2.930 -3.080 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.376 -2.820 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.852 -3.765 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.560 -4.590 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.077 -2.892 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.207 -4.665 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.607 -3.887 1.361 1.00 0.00 H new ATOM 767 N GLY A 51 2.943 -5.373 6.157 1.00 0.00 N ATOM 768 CA GLY A 51 3.489 -5.773 7.441 1.00 0.00 C ATOM 769 C GLY A 51 4.562 -4.823 7.935 1.00 0.00 C ATOM 770 O GLY A 51 4.518 -4.365 9.076 1.00 0.00 O ATOM 0 H GLY A 51 2.076 -4.838 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.685 -5.822 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.906 -6.777 7.358 1.00 0.00 H new ATOM 774 N GLY A 52 5.532 -4.528 7.074 1.00 0.00 N ATOM 775 CA GLY A 52 6.608 -3.630 7.448 1.00 0.00 C ATOM 776 C GLY A 52 7.962 -4.312 7.438 1.00 0.00 C ATOM 777 O GLY A 52 8.154 -5.349 6.802 1.00 0.00 O ATOM 0 H GLY A 52 5.591 -4.895 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.626 -2.784 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.414 -3.229 8.443 1.00 0.00 H new ATOM 781 N PRO A 53 8.931 -3.723 8.154 1.00 0.00 N ATOM 782 CA PRO A 53 10.291 -4.263 8.240 1.00 0.00 C ATOM 783 C PRO A 53 10.351 -5.558 9.041 1.00 0.00 C ATOM 784 O PRO A 53 11.363 -6.260 9.029 1.00 0.00 O ATOM 785 CB PRO A 53 11.068 -3.155 8.956 1.00 0.00 C ATOM 786 CG PRO A 53 10.040 -2.420 9.745 1.00 0.00 C ATOM 787 CD PRO A 53 8.773 -2.485 8.936 1.00 0.00 C ATOM 0 HA PRO A 53 10.691 -4.517 7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.842 -3.569 9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.566 -2.497 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.901 -2.876 10.725 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.343 -1.387 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.890 -2.523 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.663 -1.613 8.291 1.00 0.00 H new ATOM 795 N GLU A 54 9.262 -5.870 9.736 1.00 0.00 N ATOM 796 CA GLU A 54 9.192 -7.083 10.543 1.00 0.00 C ATOM 797 C GLU A 54 8.225 -8.091 9.929 1.00 0.00 C ATOM 798 O GLU A 54 7.417 -8.698 10.632 1.00 0.00 O ATOM 799 CB GLU A 54 8.758 -6.747 11.972 1.00 0.00 C ATOM 800 CG GLU A 54 9.581 -5.644 12.615 1.00 0.00 C ATOM 801 CD GLU A 54 8.721 -4.558 13.232 1.00 0.00 C ATOM 802 OE1 GLU A 54 8.337 -4.704 14.411 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.433 -3.563 12.535 1.00 0.00 O ATOM 0 H GLU A 54 8.416 -5.300 9.757 1.00 0.00 H new ATOM 0 HA GLU A 54 10.186 -7.530 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.710 -6.449 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.829 -7.646 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.222 -6.075 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.237 -5.201 11.865 1.00 0.00 H new ATOM 810 N GLN A 55 8.314 -8.261 8.614 1.00 0.00 N ATOM 811 CA GLN A 55 7.446 -9.194 7.905 1.00 0.00 C ATOM 812 C GLN A 55 8.258 -10.109 6.995 1.00 0.00 C ATOM 813 O GLN A 55 9.403 -9.810 6.660 1.00 0.00 O ATOM 814 CB GLN A 55 6.405 -8.431 7.084 1.00 0.00 C ATOM 815 CG GLN A 55 5.060 -9.136 7.001 1.00 0.00 C ATOM 816 CD GLN A 55 4.394 -8.965 5.650 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.329 -8.357 5.542 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.020 -9.503 4.610 1.00 0.00 N ATOM 0 H GLN A 55 8.978 -7.766 8.018 1.00 0.00 H new ATOM 0 HA GLN A 55 6.935 -9.810 8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.262 -7.443 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.790 -8.280 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.198 -10.198 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.402 -8.747 7.778 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.901 -9.998 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.620 -9.421 3.675 1.00 0.00 H new ATOM 827 N ASN A 56 7.657 -11.226 6.598 1.00 0.00 N ATOM 828 CA ASN A 56 8.325 -12.186 5.726 1.00 0.00 C ATOM 829 C ASN A 56 7.530 -12.399 4.442 1.00 0.00 C ATOM 830 O ASN A 56 6.449 -12.986 4.459 1.00 0.00 O ATOM 831 CB ASN A 56 8.513 -13.520 6.451 1.00 0.00 C ATOM 832 CG ASN A 56 9.974 -13.841 6.702 1.00 0.00 C ATOM 833 OD1 ASN A 56 10.857 -13.366 5.987 1.00 0.00 O ATOM 834 ND2 ASN A 56 10.234 -14.651 7.721 1.00 0.00 N ATOM 0 H ASN A 56 6.709 -11.489 6.866 1.00 0.00 H new ATOM 0 HA ASN A 56 9.303 -11.782 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.982 -13.491 7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.065 -14.318 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.198 -14.904 7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.470 -15.021 8.286 1.00 0.00 H new ATOM 841 N ASN A 57 8.075 -11.920 3.328 1.00 0.00 N ATOM 842 CA ASN A 57 7.418 -12.059 2.034 1.00 0.00 C ATOM 843 C ASN A 57 6.320 -11.012 1.867 1.00 0.00 C ATOM 844 O ASN A 57 5.209 -11.175 2.372 1.00 0.00 O ATOM 845 CB ASN A 57 6.826 -13.462 1.887 1.00 0.00 C ATOM 846 CG ASN A 57 7.046 -14.040 0.503 1.00 0.00 C ATOM 847 OD1 ASN A 57 7.190 -15.252 0.340 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.074 -13.173 -0.503 1.00 0.00 N ATOM 0 H ASN A 57 8.970 -11.432 3.296 1.00 0.00 H new ATOM 0 HA ASN A 57 8.166 -11.904 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.275 -14.122 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.757 -13.426 2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.219 -13.503 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.950 -12.177 -0.321 1.00 0.00 H new ATOM 855 N HIS A 58 6.640 -9.936 1.153 1.00 0.00 N ATOM 856 CA HIS A 58 5.681 -8.863 0.918 1.00 0.00 C ATOM 857 C HIS A 58 5.374 -8.725 -0.571 1.00 0.00 C ATOM 858 O HIS A 58 6.266 -8.464 -1.378 1.00 0.00 O ATOM 859 CB HIS A 58 6.220 -7.540 1.463 1.00 0.00 C ATOM 860 CG HIS A 58 7.339 -7.709 2.444 1.00 0.00 C ATOM 861 ND1 HIS A 58 8.604 -8.121 2.081 1.00 0.00 N ATOM 862 CD2 HIS A 58 7.379 -7.516 3.784 1.00 0.00 C ATOM 863 CE1 HIS A 58 9.372 -8.176 3.154 1.00 0.00 C ATOM 864 NE2 HIS A 58 8.653 -7.814 4.200 1.00 0.00 N ATOM 0 H HIS A 58 7.555 -9.785 0.728 1.00 0.00 H new ATOM 0 HA HIS A 58 4.758 -9.114 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.567 -6.928 0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.407 -6.995 1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.561 -7.189 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.412 -8.468 3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.989 -7.764 5.162 1.00 0.00 H new ATOM 872 N VAL A 59 4.106 -8.904 -0.927 1.00 0.00 N ATOM 873 CA VAL A 59 3.681 -8.799 -2.318 1.00 0.00 C ATOM 874 C VAL A 59 2.686 -7.660 -2.504 1.00 0.00 C ATOM 875 O VAL A 59 1.839 -7.413 -1.645 1.00 0.00 O ATOM 876 CB VAL A 59 3.041 -10.111 -2.809 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.047 -9.835 -3.927 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.113 -11.088 -3.267 1.00 0.00 C ATOM 0 H VAL A 59 3.355 -9.122 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 59 4.575 -8.596 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 59 2.500 -10.564 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.605 -10.774 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.261 -9.174 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.561 -9.359 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.643 -12.009 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.684 -10.646 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.782 -11.310 -2.436 1.00 0.00 H new ATOM 888 N CYS A 60 2.792 -6.967 -3.634 1.00 0.00 N ATOM 889 CA CYS A 60 1.902 -5.853 -3.935 1.00 0.00 C ATOM 890 C CYS A 60 0.547 -6.356 -4.425 1.00 0.00 C ATOM 891 O CYS A 60 0.394 -6.723 -5.590 1.00 0.00 O ATOM 892 CB CYS A 60 2.531 -4.941 -4.990 1.00 0.00 C ATOM 893 SG CYS A 60 1.629 -3.381 -5.257 1.00 0.00 S ATOM 0 H CYS A 60 3.486 -7.158 -4.356 1.00 0.00 H new ATOM 0 HA CYS A 60 1.749 -5.285 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.554 -4.710 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.588 -5.482 -5.935 1.00 0.00 H new ATOM 898 N TYR A 61 -0.432 -6.371 -3.527 1.00 0.00 N ATOM 899 CA TYR A 61 -1.773 -6.831 -3.867 1.00 0.00 C ATOM 900 C TYR A 61 -2.711 -5.651 -4.100 1.00 0.00 C ATOM 901 O TYR A 61 -2.991 -4.876 -3.186 1.00 0.00 O ATOM 902 CB TYR A 61 -2.326 -7.723 -2.754 1.00 0.00 C ATOM 903 CG TYR A 61 -1.793 -9.138 -2.791 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.169 -10.017 -3.800 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.914 -9.596 -1.817 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.684 -11.310 -3.837 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.423 -10.887 -1.848 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.812 -11.740 -2.860 1.00 0.00 C ATOM 909 OH TYR A 61 -0.327 -13.027 -2.893 1.00 0.00 O ATOM 0 H TYR A 61 -0.322 -6.070 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.708 -7.409 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.084 -7.278 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.413 -7.751 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.852 -9.684 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.609 -8.931 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.987 -11.981 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.261 -11.226 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 61 0.276 -13.169 -2.134 1.00 0.00 H new ATOM 919 N TRP A 62 -3.193 -5.521 -5.331 1.00 0.00 N ATOM 920 CA TRP A 62 -4.100 -4.436 -5.686 1.00 0.00 C ATOM 921 C TRP A 62 -5.037 -4.856 -6.813 1.00 0.00 C ATOM 922 O TRP A 62 -4.816 -5.875 -7.467 1.00 0.00 O ATOM 923 CB TRP A 62 -3.307 -3.196 -6.101 1.00 0.00 C ATOM 924 CG TRP A 62 -4.028 -1.911 -5.828 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.444 -0.992 -6.749 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.415 -1.401 -4.547 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.067 0.058 -6.118 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.063 -0.170 -4.767 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.279 -1.866 -3.236 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.571 0.601 -3.724 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.784 -1.100 -2.202 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.424 0.121 -2.451 1.00 0.00 C ATOM 0 H TRP A 62 -2.971 -6.154 -6.100 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.701 -4.197 -4.809 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.354 -3.189 -5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.080 -3.258 -7.165 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.304 -1.078 -7.816 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.467 0.874 -6.580 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.788 -2.807 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.063 1.544 -3.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.683 -1.449 -1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.809 0.695 -1.621 1.00 0.00 H new ATOM 943 N GLU A 63 -6.082 -4.065 -7.035 1.00 0.00 N ATOM 944 CA GLU A 63 -7.052 -4.358 -8.084 1.00 0.00 C ATOM 945 C GLU A 63 -6.517 -3.942 -9.451 1.00 0.00 C ATOM 946 O GLU A 63 -6.676 -4.663 -10.436 1.00 0.00 O ATOM 947 CB GLU A 63 -8.374 -3.640 -7.802 1.00 0.00 C ATOM 948 CG GLU A 63 -9.204 -3.381 -9.048 1.00 0.00 C ATOM 949 CD GLU A 63 -10.694 -3.485 -8.788 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.087 -4.242 -7.876 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.467 -2.808 -9.498 1.00 0.00 O ATOM 0 H GLU A 63 -6.279 -3.217 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.226 -5.434 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.960 -4.237 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.164 -2.690 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.975 -2.387 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.923 -4.095 -9.822 1.00 0.00 H new ATOM 958 N GLU A 64 -5.883 -2.775 -9.502 1.00 0.00 N ATOM 959 CA GLU A 64 -5.325 -2.263 -10.748 1.00 0.00 C ATOM 960 C GLU A 64 -3.824 -2.022 -10.614 1.00 0.00 C ATOM 961 O GLU A 64 -3.350 -0.894 -10.753 1.00 0.00 O ATOM 962 CB GLU A 64 -6.027 -0.965 -11.152 1.00 0.00 C ATOM 963 CG GLU A 64 -7.297 -1.185 -11.957 1.00 0.00 C ATOM 964 CD GLU A 64 -7.521 -0.106 -12.999 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.229 1.073 -12.704 1.00 0.00 O ATOM 966 OE2 GLU A 64 -7.988 -0.439 -14.108 1.00 0.00 O ATOM 0 H GLU A 64 -5.743 -2.167 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.487 -3.012 -11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.270 -0.398 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.338 -0.356 -11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.247 -2.156 -12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.151 -1.215 -11.280 1.00 0.00 H new ATOM 973 N CYS A 65 -3.081 -3.090 -10.343 1.00 0.00 N ATOM 974 CA CYS A 65 -1.635 -2.996 -10.189 1.00 0.00 C ATOM 975 C CYS A 65 -0.919 -3.621 -11.382 1.00 0.00 C ATOM 976 O CYS A 65 -1.360 -4.623 -11.948 1.00 0.00 O ATOM 977 CB CYS A 65 -1.193 -3.686 -8.897 1.00 0.00 C ATOM 978 SG CYS A 65 0.541 -4.243 -8.907 1.00 0.00 S ATOM 0 H CYS A 65 -3.457 -4.031 -10.226 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.368 -1.940 -10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.338 -2.999 -8.063 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.839 -4.546 -8.718 1.00 0.00 H new ATOM 983 N PRO A 66 0.213 -3.019 -11.776 1.00 0.00 N ATOM 984 CA PRO A 66 1.015 -3.499 -12.905 1.00 0.00 C ATOM 985 C PRO A 66 1.710 -4.822 -12.601 1.00 0.00 C ATOM 986 O PRO A 66 1.737 -5.726 -13.436 1.00 0.00 O ATOM 987 CB PRO A 66 2.047 -2.387 -13.107 1.00 0.00 C ATOM 988 CG PRO A 66 2.162 -1.731 -11.774 1.00 0.00 C ATOM 989 CD PRO A 66 0.797 -1.821 -11.149 1.00 0.00 C ATOM 0 HA PRO A 66 0.403 -3.695 -13.785 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.005 -2.791 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.722 -1.679 -13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.908 -2.231 -11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.477 -0.692 -11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.857 -1.923 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.202 -0.930 -11.353 1.00 0.00 H new ATOM 997 N ARG A 67 2.270 -4.929 -11.401 1.00 0.00 N ATOM 998 CA ARG A 67 2.966 -6.141 -10.987 1.00 0.00 C ATOM 999 C ARG A 67 1.977 -7.277 -10.739 1.00 0.00 C ATOM 1000 O ARG A 67 2.365 -8.442 -10.653 1.00 0.00 O ATOM 1001 CB ARG A 67 3.785 -5.879 -9.723 1.00 0.00 C ATOM 1002 CG ARG A 67 4.170 -4.420 -9.538 1.00 0.00 C ATOM 1003 CD ARG A 67 5.587 -4.281 -9.003 1.00 0.00 C ATOM 1004 NE ARG A 67 6.589 -4.515 -10.040 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.843 -4.867 -9.782 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.247 -5.026 -8.530 1.00 0.00 N ATOM 1007 NH2 ARG A 67 8.696 -5.062 -10.780 1.00 0.00 N ATOM 0 H ARG A 67 2.255 -4.190 -10.698 1.00 0.00 H new ATOM 0 HA ARG A 67 3.639 -6.436 -11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.213 -6.208 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.691 -6.484 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.087 -3.897 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.472 -3.943 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.721 -3.282 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.738 -4.988 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 67 6.310 -4.402 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.594 -4.878 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.211 -5.296 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.388 -4.941 -11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.659 -5.332 -10.582 1.00 0.00 H new ATOM 1021 N GLU A 68 0.700 -6.929 -10.625 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.343 -7.920 -10.385 1.00 0.00 C ATOM 1023 C GLU A 68 0.106 -8.942 -9.345 1.00 0.00 C ATOM 1024 O GLU A 68 -0.396 -10.064 -9.304 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.711 -8.631 -11.689 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.525 -7.768 -12.926 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.253 -8.320 -14.137 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.206 -9.550 -14.346 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -1.868 -7.522 -14.875 1.00 0.00 O ATOM 0 H GLU A 68 0.362 -5.969 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.221 -7.400 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.101 -9.529 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.750 -8.955 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.885 -6.760 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.538 -7.687 -13.152 1.00 0.00 H new ATOM 1036 N GLY A 69 1.058 -8.545 -8.506 1.00 0.00 N ATOM 1037 CA GLY A 69 1.560 -9.437 -7.478 1.00 0.00 C ATOM 1038 C GLY A 69 3.074 -9.429 -7.392 1.00 0.00 C ATOM 1039 O GLY A 69 3.641 -9.446 -6.299 1.00 0.00 O ATOM 0 H GLY A 69 1.490 -7.621 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.143 -9.146 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.216 -10.451 -7.682 1.00 0.00 H new ATOM 1043 N LYS A 70 3.730 -9.404 -8.547 1.00 0.00 N ATOM 1044 CA LYS A 70 5.187 -9.394 -8.599 1.00 0.00 C ATOM 1045 C LYS A 70 5.768 -8.608 -7.427 1.00 0.00 C ATOM 1046 O LYS A 70 5.678 -7.381 -7.385 1.00 0.00 O ATOM 1047 CB LYS A 70 5.667 -8.789 -9.920 1.00 0.00 C ATOM 1048 CG LYS A 70 6.526 -9.732 -10.744 1.00 0.00 C ATOM 1049 CD LYS A 70 6.329 -9.507 -12.234 1.00 0.00 C ATOM 1050 CE LYS A 70 7.578 -8.928 -12.881 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.585 -9.982 -13.185 1.00 0.00 N ATOM 0 H LYS A 70 3.276 -9.390 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 70 5.535 -10.425 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.800 -8.492 -10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.236 -7.883 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.576 -9.586 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.277 -10.764 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.073 -10.451 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.489 -8.831 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.304 -8.411 -13.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.019 -8.185 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.421 -9.547 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.866 -10.458 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.173 -10.678 -13.839 1.00 0.00 H new ATOM 1065 N SER A 71 6.366 -9.323 -6.479 1.00 0.00 N ATOM 1066 CA SER A 71 6.960 -8.693 -5.306 1.00 0.00 C ATOM 1067 C SER A 71 8.254 -7.973 -5.673 1.00 0.00 C ATOM 1068 O SER A 71 8.616 -7.882 -6.846 1.00 0.00 O ATOM 1069 CB SER A 71 7.233 -9.738 -4.223 1.00 0.00 C ATOM 1070 OG SER A 71 6.669 -10.991 -4.569 1.00 0.00 O ATOM 0 H SER A 71 6.452 -10.339 -6.501 1.00 0.00 H new ATOM 0 HA SER A 71 6.253 -7.958 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.308 -9.847 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.819 -9.399 -3.274 1.00 0.00 H new ATOM 0 HG SER A 71 7.279 -11.470 -5.169 1.00 0.00 H new ATOM 1076 N PHE A 72 8.947 -7.463 -4.661 1.00 0.00 N ATOM 1077 CA PHE A 72 10.201 -6.750 -4.875 1.00 0.00 C ATOM 1078 C PHE A 72 11.363 -7.482 -4.211 1.00 0.00 C ATOM 1079 O PHE A 72 11.180 -8.532 -3.595 1.00 0.00 O ATOM 1080 CB PHE A 72 10.102 -5.325 -4.327 1.00 0.00 C ATOM 1081 CG PHE A 72 9.126 -4.462 -5.075 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.761 -4.664 -4.945 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.573 -3.448 -5.907 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.860 -3.872 -5.631 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.677 -2.652 -6.595 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.319 -2.865 -6.458 1.00 0.00 C ATOM 0 H PHE A 72 8.662 -7.530 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 72 10.387 -6.707 -5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.808 -5.367 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.088 -4.861 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.397 -5.450 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.634 -3.278 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.799 -4.040 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.038 -1.864 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.617 -2.245 -6.997 1.00 0.00 H new ATOM 1096 N LYS A 73 12.561 -6.921 -4.342 1.00 0.00 N ATOM 1097 CA LYS A 73 13.754 -7.518 -3.756 1.00 0.00 C ATOM 1098 C LYS A 73 14.025 -6.943 -2.369 1.00 0.00 C ATOM 1099 O LYS A 73 14.868 -7.451 -1.630 1.00 0.00 O ATOM 1100 CB LYS A 73 14.965 -7.283 -4.662 1.00 0.00 C ATOM 1101 CG LYS A 73 14.908 -8.059 -5.966 1.00 0.00 C ATOM 1102 CD LYS A 73 14.952 -7.131 -7.169 1.00 0.00 C ATOM 1103 CE LYS A 73 13.555 -6.817 -7.681 1.00 0.00 C ATOM 1104 NZ LYS A 73 13.470 -6.926 -9.164 1.00 0.00 N ATOM 0 H LYS A 73 12.731 -6.053 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 73 13.583 -8.590 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.040 -6.219 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.871 -7.560 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.744 -8.756 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.995 -8.654 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.458 -6.205 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.537 -7.592 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.839 -7.501 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.274 -5.810 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.502 -6.704 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.135 -6.256 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.714 -7.894 -9.455 1.00 0.00 H new ATOM 1118 N ALA A 74 13.303 -5.883 -2.022 1.00 0.00 N ATOM 1119 CA ALA A 74 13.463 -5.242 -0.722 1.00 0.00 C ATOM 1120 C ALA A 74 12.115 -5.047 -0.036 1.00 0.00 C ATOM 1121 O ALA A 74 11.066 -5.328 -0.616 1.00 0.00 O ATOM 1122 CB ALA A 74 14.177 -3.907 -0.876 1.00 0.00 C ATOM 0 H ALA A 74 12.602 -5.450 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 74 14.069 -5.896 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.290 -3.440 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.161 -4.069 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.593 -3.255 -1.525 1.00 0.00 H new ATOM 1128 N LYS A 75 12.150 -4.566 1.202 1.00 0.00 N ATOM 1129 CA LYS A 75 10.932 -4.333 1.967 1.00 0.00 C ATOM 1130 C LYS A 75 10.330 -2.972 1.632 1.00 0.00 C ATOM 1131 O LYS A 75 9.202 -2.884 1.146 1.00 0.00 O ATOM 1132 CB LYS A 75 11.224 -4.417 3.467 1.00 0.00 C ATOM 1133 CG LYS A 75 10.071 -3.948 4.339 1.00 0.00 C ATOM 1134 CD LYS A 75 10.385 -2.623 5.013 1.00 0.00 C ATOM 1135 CE LYS A 75 9.116 -1.863 5.367 1.00 0.00 C ATOM 1136 NZ LYS A 75 9.412 -0.489 5.859 1.00 0.00 N ATOM 0 H LYS A 75 13.010 -4.330 1.697 1.00 0.00 H new ATOM 0 HA LYS A 75 10.211 -5.105 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.467 -5.448 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.106 -3.816 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.173 -3.844 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.857 -4.701 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.967 -2.802 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.002 -2.015 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.471 -1.804 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.565 -2.412 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.522 -0.004 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.006 -0.546 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.915 0.043 5.121 1.00 0.00 H new ATOM 1150 N TYR A 76 11.090 -1.914 1.893 1.00 0.00 N ATOM 1151 CA TYR A 76 10.631 -0.557 1.619 1.00 0.00 C ATOM 1152 C TYR A 76 10.298 -0.383 0.141 1.00 0.00 C ATOM 1153 O TYR A 76 9.531 0.505 -0.236 1.00 0.00 O ATOM 1154 CB TYR A 76 11.696 0.458 2.037 1.00 0.00 C ATOM 1155 CG TYR A 76 12.720 0.738 0.961 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.585 -0.257 0.521 1.00 0.00 C ATOM 1157 CD2 TYR A 76 12.824 1.998 0.384 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.523 -0.005 -0.461 1.00 0.00 C ATOM 1159 CE2 TYR A 76 13.758 2.258 -0.600 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.605 1.253 -1.019 1.00 0.00 C ATOM 1161 OH TYR A 76 15.538 1.509 -1.998 1.00 0.00 O ATOM 0 H TYR A 76 12.026 -1.970 2.294 1.00 0.00 H new ATOM 0 HA TYR A 76 9.725 -0.383 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.207 1.392 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.207 0.090 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.523 -1.244 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.163 2.787 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.189 -0.789 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 76 13.825 3.243 -1.039 1.00 0.00 H new ATOM 0 HH TYR A 76 15.463 2.443 -2.285 1.00 0.00 H new ATOM 1171 N LYS A 77 10.879 -1.237 -0.695 1.00 0.00 N ATOM 1172 CA LYS A 77 10.644 -1.181 -2.133 1.00 0.00 C ATOM 1173 C LYS A 77 9.164 -1.368 -2.450 1.00 0.00 C ATOM 1174 O LYS A 77 8.640 -0.767 -3.390 1.00 0.00 O ATOM 1175 CB LYS A 77 11.469 -2.254 -2.847 1.00 0.00 C ATOM 1176 CG LYS A 77 12.795 -1.745 -3.384 1.00 0.00 C ATOM 1177 CD LYS A 77 12.845 -1.813 -4.901 1.00 0.00 C ATOM 1178 CE LYS A 77 14.276 -1.753 -5.415 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.355 -2.054 -6.871 1.00 0.00 N ATOM 0 H LYS A 77 11.517 -1.977 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 77 10.952 -0.198 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.658 -3.075 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.884 -2.660 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.949 -0.716 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.609 -2.336 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.374 -2.735 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.271 -0.988 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.689 -0.762 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.890 -2.464 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.346 -2.003 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.985 -3.010 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.789 -1.360 -7.400 1.00 0.00 H new ATOM 1193 N LEU A 78 8.495 -2.201 -1.662 1.00 0.00 N ATOM 1194 CA LEU A 78 7.074 -2.466 -1.858 1.00 0.00 C ATOM 1195 C LEU A 78 6.245 -1.214 -1.589 1.00 0.00 C ATOM 1196 O LEU A 78 5.590 -0.685 -2.488 1.00 0.00 O ATOM 1197 CB LEU A 78 6.615 -3.601 -0.942 1.00 0.00 C ATOM 1198 CG LEU A 78 5.221 -4.166 -1.219 1.00 0.00 C ATOM 1199 CD1 LEU A 78 5.011 -4.359 -2.713 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.020 -5.479 -0.477 1.00 0.00 C ATOM 0 H LEU A 78 8.914 -2.705 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 78 6.925 -2.763 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.336 -4.415 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.642 -3.244 0.087 1.00 0.00 H new ATOM 0 HG LEU A 78 4.482 -3.451 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.014 -4.762 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.111 -3.400 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.757 -5.054 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.023 -5.866 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.766 -6.202 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.127 -5.311 0.595 1.00 0.00 H new ATOM 1212 N VAL A 79 6.280 -0.742 -0.347 1.00 0.00 N ATOM 1213 CA VAL A 79 5.535 0.450 0.040 1.00 0.00 C ATOM 1214 C VAL A 79 5.747 1.579 -0.961 1.00 0.00 C ATOM 1215 O VAL A 79 4.832 2.350 -1.247 1.00 0.00 O ATOM 1216 CB VAL A 79 5.945 0.938 1.442 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.536 2.389 1.643 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.333 0.049 2.515 1.00 0.00 C ATOM 0 H VAL A 79 6.817 -1.167 0.409 1.00 0.00 H new ATOM 0 HA VAL A 79 4.481 0.174 0.054 1.00 0.00 H new ATOM 0 HB VAL A 79 7.030 0.877 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.834 2.716 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.026 3.012 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.455 2.480 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.633 0.408 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.246 0.077 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.681 -0.975 2.381 1.00 0.00 H new ATOM 1228 N ASN A 80 6.962 1.671 -1.493 1.00 0.00 N ATOM 1229 CA ASN A 80 7.296 2.708 -2.463 1.00 0.00 C ATOM 1230 C ASN A 80 6.407 2.602 -3.699 1.00 0.00 C ATOM 1231 O ASN A 80 5.888 3.604 -4.191 1.00 0.00 O ATOM 1232 CB ASN A 80 8.767 2.601 -2.869 1.00 0.00 C ATOM 1233 CG ASN A 80 8.956 2.635 -4.373 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.531 3.577 -5.042 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.597 1.604 -4.912 1.00 0.00 N ATOM 0 H ASN A 80 7.731 1.040 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 80 7.125 3.678 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.326 3.420 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.184 1.674 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.754 1.571 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.932 0.845 -4.319 1.00 0.00 H new ATOM 1242 N HIS A 81 6.236 1.381 -4.195 1.00 0.00 N ATOM 1243 CA HIS A 81 5.409 1.143 -5.373 1.00 0.00 C ATOM 1244 C HIS A 81 3.927 1.240 -5.025 1.00 0.00 C ATOM 1245 O HIS A 81 3.117 1.686 -5.838 1.00 0.00 O ATOM 1246 CB HIS A 81 5.716 -0.231 -5.969 1.00 0.00 C ATOM 1247 CG HIS A 81 4.694 -0.696 -6.961 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.352 0.028 -8.083 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.940 -1.819 -6.995 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.430 -0.629 -8.764 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.163 -1.754 -8.125 1.00 0.00 N ATOM 0 H HIS A 81 6.659 0.541 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 81 5.642 1.911 -6.111 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.692 -0.198 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.785 -0.961 -5.162 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.749 0.930 -8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.948 -2.618 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.972 -0.302 -9.686 1.00 0.00 H new ATOM 1259 N ILE A 82 3.580 0.820 -3.813 1.00 0.00 N ATOM 1260 CA ILE A 82 2.196 0.860 -3.358 1.00 0.00 C ATOM 1261 C ILE A 82 1.626 2.271 -3.457 1.00 0.00 C ATOM 1262 O ILE A 82 0.471 2.460 -3.841 1.00 0.00 O ATOM 1263 CB ILE A 82 2.066 0.367 -1.905 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.425 -1.117 -1.813 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.656 0.609 -1.387 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.525 -1.628 -0.393 1.00 0.00 C ATOM 0 H ILE A 82 4.238 0.448 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 82 1.630 0.195 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 82 2.762 0.930 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.673 -1.698 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.376 -1.284 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.580 0.255 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.434 1.676 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.058 0.070 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.782 -2.687 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.297 -1.073 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.568 -1.493 0.111 1.00 0.00 H new ATOM 1278 N ARG A 83 2.443 3.260 -3.110 1.00 0.00 N ATOM 1279 CA ARG A 83 2.021 4.654 -3.160 1.00 0.00 C ATOM 1280 C ARG A 83 1.350 4.971 -4.494 1.00 0.00 C ATOM 1281 O ARG A 83 0.281 5.580 -4.533 1.00 0.00 O ATOM 1282 CB ARG A 83 3.220 5.580 -2.947 1.00 0.00 C ATOM 1283 CG ARG A 83 4.120 5.157 -1.798 1.00 0.00 C ATOM 1284 CD ARG A 83 4.488 6.338 -0.914 1.00 0.00 C ATOM 1285 NE ARG A 83 5.154 7.398 -1.666 1.00 0.00 N ATOM 1286 CZ ARG A 83 6.438 7.362 -2.006 1.00 0.00 C ATOM 1287 NH1 ARG A 83 7.190 6.325 -1.664 1.00 0.00 N ATOM 1288 NH2 ARG A 83 6.972 8.365 -2.691 1.00 0.00 N ATOM 0 H ARG A 83 3.402 3.121 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 83 1.298 4.818 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.808 5.615 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.859 6.591 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.616 4.397 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.027 4.701 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.587 6.736 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.141 5.999 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 83 4.604 8.210 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.783 5.551 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.175 6.301 -1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.397 9.164 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.958 8.337 -2.952 1.00 0.00 H new ATOM 1302 N VAL A 84 1.986 4.555 -5.584 1.00 0.00 N ATOM 1303 CA VAL A 84 1.452 4.794 -6.919 1.00 0.00 C ATOM 1304 C VAL A 84 -0.013 4.379 -7.007 1.00 0.00 C ATOM 1305 O VAL A 84 -0.783 4.940 -7.787 1.00 0.00 O ATOM 1306 CB VAL A 84 2.255 4.032 -7.990 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.717 2.620 -8.157 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.224 4.783 -9.313 1.00 0.00 C ATOM 0 H VAL A 84 2.872 4.050 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 84 1.536 5.865 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 84 3.292 3.963 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.297 2.097 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.796 2.086 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.672 2.663 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.796 4.231 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.192 4.885 -9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.661 5.773 -9.180 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.391 3.391 -6.202 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.765 2.900 -6.188 1.00 0.00 C ATOM 1320 C HIS A 85 -2.640 3.761 -5.282 1.00 0.00 C ATOM 1321 O HIS A 85 -3.767 4.108 -5.636 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.804 1.445 -5.721 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.916 0.537 -6.516 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.445 0.856 -7.772 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.412 -0.685 -6.225 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.309 -0.132 -8.220 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.346 -1.079 -7.300 1.00 0.00 N ATOM 0 H HIS A 85 0.234 2.915 -5.551 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.156 2.958 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.510 1.401 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.829 1.080 -5.780 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.647 1.719 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.576 -1.246 -5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.810 -0.161 -9.176 1.00 0.00 H new ATOM 1335 N THR A 86 -2.114 4.102 -4.109 1.00 0.00 N ATOM 1336 CA THR A 86 -2.848 4.920 -3.151 1.00 0.00 C ATOM 1337 C THR A 86 -3.267 6.248 -3.770 1.00 0.00 C ATOM 1338 O THR A 86 -4.316 6.797 -3.436 1.00 0.00 O ATOM 1339 CB THR A 86 -2.008 5.196 -1.890 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.747 5.767 -2.256 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.781 3.916 -1.100 1.00 0.00 C ATOM 0 H THR A 86 -1.182 3.824 -3.800 1.00 0.00 H new ATOM 0 HA THR A 86 -3.738 4.357 -2.870 1.00 0.00 H new ATOM 0 HB THR A 86 -2.556 5.899 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.676 5.803 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.185 4.136 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.742 3.500 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.253 3.193 -1.722 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.439 6.762 -4.676 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.742 8.022 -5.328 1.00 0.00 C ATOM 1351 C GLY A 87 -1.999 9.189 -4.707 1.00 0.00 C ATOM 1352 O GLY A 87 -2.193 10.337 -5.104 1.00 0.00 O ATOM 0 H GLY A 87 -1.564 6.327 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.484 7.952 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.815 8.207 -5.273 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.148 8.894 -3.730 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.376 9.929 -3.052 1.00 0.00 C ATOM 1358 C GLU A 88 0.870 10.292 -3.855 1.00 0.00 C ATOM 1359 O GLU A 88 0.935 10.057 -5.062 1.00 0.00 O ATOM 1360 CB GLU A 88 0.025 9.462 -1.651 1.00 0.00 C ATOM 1361 CG GLU A 88 -0.043 10.558 -0.601 1.00 0.00 C ATOM 1362 CD GLU A 88 -0.535 10.051 0.741 1.00 0.00 C ATOM 1363 OE1 GLU A 88 -1.157 8.969 0.773 1.00 0.00 O ATOM 1364 OE2 GLU A 88 -0.298 10.736 1.757 1.00 0.00 O ATOM 0 H GLU A 88 -0.976 7.948 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.003 10.816 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.627 8.642 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.040 9.066 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.946 11.000 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.705 11.350 -0.951 1.00 0.00 H new ATOM 1371 N LYS A 89 1.857 10.867 -3.177 1.00 0.00 N ATOM 1372 CA LYS A 89 3.102 11.263 -3.824 1.00 0.00 C ATOM 1373 C LYS A 89 3.602 10.167 -4.759 1.00 0.00 C ATOM 1374 O LYS A 89 3.470 8.979 -4.464 1.00 0.00 O ATOM 1375 CB LYS A 89 4.169 11.579 -2.774 1.00 0.00 C ATOM 1376 CG LYS A 89 3.967 12.916 -2.083 1.00 0.00 C ATOM 1377 CD LYS A 89 3.147 12.770 -0.812 1.00 0.00 C ATOM 1378 CE LYS A 89 3.738 13.583 0.329 1.00 0.00 C ATOM 1379 NZ LYS A 89 4.302 12.712 1.397 1.00 0.00 N ATOM 0 H LYS A 89 1.819 11.069 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 89 2.906 12.158 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.173 10.789 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.149 11.571 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.937 13.352 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.466 13.606 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.123 13.094 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.101 11.719 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.520 14.236 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.967 14.226 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.695 13.304 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.550 12.106 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.055 12.116 0.998 1.00 0.00 H new ATOM 1393 N SER A 90 4.177 10.573 -5.886 1.00 0.00 N ATOM 1394 CA SER A 90 4.695 9.624 -6.865 1.00 0.00 C ATOM 1395 C SER A 90 5.580 10.329 -7.889 1.00 0.00 C ATOM 1396 O SER A 90 5.345 10.242 -9.094 1.00 0.00 O ATOM 1397 CB SER A 90 3.542 8.912 -7.575 1.00 0.00 C ATOM 1398 OG SER A 90 4.013 8.145 -8.670 1.00 0.00 O ATOM 0 H SER A 90 4.296 11.553 -6.144 1.00 0.00 H new ATOM 0 HA SER A 90 5.298 8.886 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.022 8.264 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.818 9.647 -7.927 1.00 0.00 H new ATOM 0 HG SER A 90 4.392 8.742 -9.349 1.00 0.00 H new ATOM 1404 N GLY A 91 6.599 11.028 -7.399 1.00 0.00 N ATOM 1405 CA GLY A 91 7.505 11.738 -8.284 1.00 0.00 C ATOM 1406 C GLY A 91 8.585 10.839 -8.851 1.00 0.00 C ATOM 1407 O GLY A 91 8.896 9.783 -8.301 1.00 0.00 O ATOM 0 H GLY A 91 6.814 11.116 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.937 12.179 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.970 12.560 -7.740 1.00 0.00 H new ATOM 1411 N PRO A 92 9.176 11.257 -9.980 1.00 0.00 N ATOM 1412 CA PRO A 92 10.235 10.496 -10.648 1.00 0.00 C ATOM 1413 C PRO A 92 11.536 10.493 -9.853 1.00 0.00 C ATOM 1414 O PRO A 92 11.844 11.451 -9.144 1.00 0.00 O ATOM 1415 CB PRO A 92 10.422 11.237 -11.975 1.00 0.00 C ATOM 1416 CG PRO A 92 9.964 12.627 -11.700 1.00 0.00 C ATOM 1417 CD PRO A 92 8.855 12.506 -10.692 1.00 0.00 C ATOM 0 HA PRO A 92 9.970 9.445 -10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.464 11.219 -12.295 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.836 10.777 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.780 13.237 -11.311 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.612 13.109 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.832 13.360 -10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.878 12.455 -11.173 1.00 0.00 H new ATOM 1425 N SER A 93 12.297 9.410 -9.974 1.00 0.00 N ATOM 1426 CA SER A 93 13.563 9.281 -9.264 1.00 0.00 C ATOM 1427 C SER A 93 14.676 10.021 -9.999 1.00 0.00 C ATOM 1428 O SER A 93 15.552 10.624 -9.378 1.00 0.00 O ATOM 1429 CB SER A 93 13.935 7.805 -9.104 1.00 0.00 C ATOM 1430 OG SER A 93 15.066 7.476 -9.893 1.00 0.00 O ATOM 0 H SER A 93 12.058 8.609 -10.558 1.00 0.00 H new ATOM 0 HA SER A 93 13.444 9.727 -8.277 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.144 7.591 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.091 7.180 -9.395 1.00 0.00 H new ATOM 0 HG SER A 93 15.285 6.528 -9.772 1.00 0.00 H new ATOM 1436 N SER A 94 14.636 9.970 -11.327 1.00 0.00 N ATOM 1437 CA SER A 94 15.642 10.632 -12.148 1.00 0.00 C ATOM 1438 C SER A 94 17.027 10.501 -11.521 1.00 0.00 C ATOM 1439 O SER A 94 17.521 11.428 -10.882 1.00 0.00 O ATOM 1440 CB SER A 94 15.291 12.109 -12.332 1.00 0.00 C ATOM 1441 OG SER A 94 16.305 12.790 -13.050 1.00 0.00 O ATOM 0 H SER A 94 13.917 9.477 -11.857 1.00 0.00 H new ATOM 0 HA SER A 94 15.656 10.146 -13.123 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.343 12.197 -12.864 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.154 12.577 -11.357 1.00 0.00 H new ATOM 0 HG SER A 94 16.055 13.732 -13.155 1.00 0.00 H new ATOM 1447 N GLY A 95 17.648 9.340 -11.710 1.00 0.00 N ATOM 1448 CA GLY A 95 18.970 9.108 -11.157 1.00 0.00 C ATOM 1449 C GLY A 95 19.325 7.635 -11.103 1.00 0.00 C ATOM 1450 O GLY A 95 19.068 6.921 -12.071 1.00 0.00 O ATOM 0 H GLY A 95 17.260 8.557 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.710 9.635 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.019 9.528 -10.152 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -6.207 -2.968 3.509 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.602 -2.714 -7.492 1.00 0.00 ZN