USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 758 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 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 28 SER OG : rot 180:sc= 0.0196 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-12!) USER MOD Set 1.3: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 0.428 USER MOD Single : A 6 SER OG : rot 180:sc= -0.333 USER MOD Single : A 8 MET CE :methyl -166:sc= -0.218 (180deg=-0.845) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0969 USER MOD Single : A 11 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.000385 X(o=-0.00039,f=-0.094) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -3.93! C(o=-3.9!,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -4.76! C(o=-4.8!,f=-5.5!) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0.016 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0403 USER MOD Single : A 72 THR OG1 : rot -61:sc= 1.13 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= -0.372 (180deg=-1.35!) USER MOD Single : A 80 MET CE :methyl -166:sc= -0.0124 (180deg=-0.278) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 113:sc= 0.0182 USER MOD Single : A 92 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=-0.25) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.109 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.532 25.809 18.181 1.00 0.00 N ATOM 2 CA GLY A 1 3.054 24.493 18.562 1.00 0.00 C ATOM 3 C GLY A 1 1.618 24.516 19.048 1.00 0.00 C ATOM 4 O GLY A 1 1.348 24.886 20.191 1.00 0.00 O ATOM 0 H1 GLY A 1 4.518 25.740 17.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.940 26.184 17.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.482 26.447 19.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.135 23.819 17.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.694 24.091 19.347 1.00 0.00 H new ATOM 8 N SER A 2 0.694 24.121 18.178 1.00 0.00 N ATOM 9 CA SER A 2 -0.723 24.104 18.523 1.00 0.00 C ATOM 10 C SER A 2 -1.289 22.691 18.418 1.00 0.00 C ATOM 11 O SER A 2 -2.488 22.505 18.210 1.00 0.00 O ATOM 12 CB SER A 2 -1.504 25.048 17.607 1.00 0.00 C ATOM 13 OG SER A 2 -1.068 24.932 16.264 1.00 0.00 O ATOM 0 H SER A 2 0.901 23.809 17.229 1.00 0.00 H new ATOM 0 HA SER A 2 -0.826 24.443 19.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.568 24.821 17.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.377 26.076 17.946 1.00 0.00 H new ATOM 0 HG SER A 2 -1.584 25.544 15.699 1.00 0.00 H new ATOM 19 N SER A 3 -0.418 21.698 18.564 1.00 0.00 N ATOM 20 CA SER A 3 -0.829 20.301 18.482 1.00 0.00 C ATOM 21 C SER A 3 0.225 19.388 19.100 1.00 0.00 C ATOM 22 O SER A 3 1.404 19.460 18.756 1.00 0.00 O ATOM 23 CB SER A 3 -1.074 19.905 17.025 1.00 0.00 C ATOM 24 OG SER A 3 -2.227 19.090 16.905 1.00 0.00 O ATOM 0 H SER A 3 0.577 21.835 18.740 1.00 0.00 H new ATOM 0 HA SER A 3 -1.757 20.186 19.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.193 20.801 16.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.206 19.371 16.639 1.00 0.00 H new ATOM 0 HG SER A 3 -2.363 18.852 15.964 1.00 0.00 H new ATOM 30 N GLY A 4 -0.211 18.526 20.014 1.00 0.00 N ATOM 31 CA GLY A 4 0.706 17.610 20.667 1.00 0.00 C ATOM 32 C GLY A 4 0.479 16.170 20.253 1.00 0.00 C ATOM 33 O GLY A 4 0.491 15.849 19.064 1.00 0.00 O ATOM 0 H GLY A 4 -1.183 18.446 20.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.731 17.896 20.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.593 17.696 21.748 1.00 0.00 H new ATOM 37 N SER A 5 0.274 15.299 21.235 1.00 0.00 N ATOM 38 CA SER A 5 0.049 13.883 20.967 1.00 0.00 C ATOM 39 C SER A 5 -0.454 13.167 22.217 1.00 0.00 C ATOM 40 O SER A 5 -1.479 12.487 22.186 1.00 0.00 O ATOM 41 CB SER A 5 1.338 13.225 20.472 1.00 0.00 C ATOM 42 OG SER A 5 1.330 13.085 19.061 1.00 0.00 O ATOM 0 H SER A 5 0.259 15.549 22.224 1.00 0.00 H new ATOM 0 HA SER A 5 -0.713 13.802 20.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.196 13.824 20.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.452 12.246 20.937 1.00 0.00 H new ATOM 0 HG SER A 5 1.057 13.931 18.650 1.00 0.00 H new ATOM 48 N SER A 6 0.277 13.324 23.316 1.00 0.00 N ATOM 49 CA SER A 6 -0.091 12.690 24.576 1.00 0.00 C ATOM 50 C SER A 6 -0.306 11.191 24.388 1.00 0.00 C ATOM 51 O SER A 6 0.631 10.401 24.494 1.00 0.00 O ATOM 52 CB SER A 6 -1.360 13.331 25.143 1.00 0.00 C ATOM 53 OG SER A 6 -1.984 12.478 26.087 1.00 0.00 O ATOM 0 H SER A 6 1.128 13.885 23.359 1.00 0.00 H new ATOM 0 HA SER A 6 0.728 12.837 25.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.111 14.281 25.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.054 13.550 24.332 1.00 0.00 H new ATOM 0 HG SER A 6 -2.791 12.911 26.436 1.00 0.00 H new ATOM 59 N GLY A 7 -1.548 10.808 24.107 1.00 0.00 N ATOM 60 CA GLY A 7 -1.864 9.406 23.908 1.00 0.00 C ATOM 61 C GLY A 7 -3.203 9.023 24.508 1.00 0.00 C ATOM 62 O GLY A 7 -4.140 9.820 24.508 1.00 0.00 O ATOM 0 H GLY A 7 -2.340 11.444 24.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.871 9.186 22.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.081 8.793 24.354 1.00 0.00 H new ATOM 66 N MET A 8 -3.292 7.799 25.018 1.00 0.00 N ATOM 67 CA MET A 8 -4.527 7.312 25.622 1.00 0.00 C ATOM 68 C MET A 8 -4.308 6.948 27.088 1.00 0.00 C ATOM 69 O MET A 8 -3.254 6.445 27.476 1.00 0.00 O ATOM 70 CB MET A 8 -5.050 6.096 24.856 1.00 0.00 C ATOM 71 CG MET A 8 -4.194 4.852 25.031 1.00 0.00 C ATOM 72 SD MET A 8 -4.621 3.546 23.864 1.00 0.00 S ATOM 73 CE MET A 8 -6.409 3.641 23.887 1.00 0.00 C ATOM 0 H MET A 8 -2.525 7.127 25.025 1.00 0.00 H new ATOM 0 HA MET A 8 -5.267 8.111 25.570 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.065 5.878 25.187 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.106 6.342 23.796 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.144 5.117 24.905 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.308 4.477 26.048 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.827 2.750 23.418 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.757 3.706 24.918 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.733 4.525 23.339 1.00 0.00 H new ATOM 83 N PRO A 9 -5.326 7.209 27.921 1.00 0.00 N ATOM 84 CA PRO A 9 -5.268 6.917 29.357 1.00 0.00 C ATOM 85 C PRO A 9 -5.287 5.419 29.644 1.00 0.00 C ATOM 86 O PRO A 9 -6.312 4.757 29.480 1.00 0.00 O ATOM 87 CB PRO A 9 -6.532 7.582 29.906 1.00 0.00 C ATOM 88 CG PRO A 9 -7.470 7.627 28.749 1.00 0.00 C ATOM 89 CD PRO A 9 -6.612 7.808 27.527 1.00 0.00 C ATOM 0 HA PRO A 9 -4.347 7.283 29.811 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.952 7.011 30.734 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.321 8.582 30.284 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.053 6.709 28.684 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.179 8.448 28.853 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.039 7.307 26.658 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.502 8.860 27.266 1.00 0.00 H new ATOM 97 N THR A 10 -4.146 4.890 30.076 1.00 0.00 N ATOM 98 CA THR A 10 -4.032 3.470 30.386 1.00 0.00 C ATOM 99 C THR A 10 -4.639 3.154 31.748 1.00 0.00 C ATOM 100 O THR A 10 -5.296 3.998 32.356 1.00 0.00 O ATOM 101 CB THR A 10 -2.562 3.009 30.373 1.00 0.00 C ATOM 102 OG1 THR A 10 -1.693 4.145 30.297 1.00 0.00 O ATOM 103 CG2 THR A 10 -2.296 2.081 29.197 1.00 0.00 C ATOM 0 H THR A 10 -3.288 5.423 30.219 1.00 0.00 H new ATOM 0 HA THR A 10 -4.581 2.933 29.613 1.00 0.00 H new ATOM 0 HB THR A 10 -2.367 2.464 31.297 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.760 3.844 30.291 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.252 1.769 29.209 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.938 1.203 29.273 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.507 2.605 28.265 1.00 0.00 H new ATOM 111 N ASN A 11 -4.416 1.933 32.221 1.00 0.00 N ATOM 112 CA ASN A 11 -4.942 1.505 33.513 1.00 0.00 C ATOM 113 C ASN A 11 -4.021 0.476 34.162 1.00 0.00 C ATOM 114 O ASN A 11 -3.407 -0.343 33.478 1.00 0.00 O ATOM 115 CB ASN A 11 -6.345 0.917 33.346 1.00 0.00 C ATOM 116 CG ASN A 11 -6.473 0.074 32.092 1.00 0.00 C ATOM 117 OD1 ASN A 11 -6.247 -1.136 32.119 1.00 0.00 O ATOM 118 ND2 ASN A 11 -6.836 0.711 30.985 1.00 0.00 N ATOM 0 H ASN A 11 -3.875 1.222 31.730 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.996 2.379 34.163 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.586 0.307 34.217 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.074 1.727 33.312 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.938 0.196 30.110 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.013 1.715 31.009 1.00 0.00 H new ATOM 125 N CYS A 12 -3.930 0.524 35.487 1.00 0.00 N ATOM 126 CA CYS A 12 -3.085 -0.402 36.230 1.00 0.00 C ATOM 127 C CYS A 12 -3.669 -1.812 36.203 1.00 0.00 C ATOM 128 O CYS A 12 -4.874 -1.999 36.366 1.00 0.00 O ATOM 129 CB CYS A 12 -2.927 0.068 37.677 1.00 0.00 C ATOM 130 SG CYS A 12 -1.791 -0.953 38.670 1.00 0.00 S ATOM 0 H CYS A 12 -4.432 1.195 36.068 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.105 -0.424 35.753 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.567 1.097 37.676 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.906 0.073 38.155 1.00 0.00 H new ATOM 135 N ALA A 13 -2.805 -2.800 35.995 1.00 0.00 N ATOM 136 CA ALA A 13 -3.234 -4.193 35.948 1.00 0.00 C ATOM 137 C ALA A 13 -3.365 -4.774 37.352 1.00 0.00 C ATOM 138 O ALA A 13 -4.180 -5.664 37.592 1.00 0.00 O ATOM 139 CB ALA A 13 -2.259 -5.018 35.121 1.00 0.00 C ATOM 0 H ALA A 13 -1.804 -2.662 35.856 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.215 -4.230 35.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.592 -6.056 35.095 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.219 -4.624 34.106 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.267 -4.966 35.570 1.00 0.00 H new ATOM 145 N ALA A 14 -2.555 -4.266 38.275 1.00 0.00 N ATOM 146 CA ALA A 14 -2.582 -4.734 39.655 1.00 0.00 C ATOM 147 C ALA A 14 -4.013 -4.944 40.137 1.00 0.00 C ATOM 148 O ALA A 14 -4.652 -4.018 40.636 1.00 0.00 O ATOM 149 CB ALA A 14 -1.857 -3.749 40.561 1.00 0.00 C ATOM 0 H ALA A 14 -1.872 -3.531 38.092 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.069 -5.695 39.696 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.885 -4.111 41.589 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.820 -3.653 40.238 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.346 -2.776 40.506 1.00 0.00 H new ATOM 155 N ALA A 15 -4.511 -6.166 39.983 1.00 0.00 N ATOM 156 CA ALA A 15 -5.867 -6.497 40.403 1.00 0.00 C ATOM 157 C ALA A 15 -6.187 -5.882 41.761 1.00 0.00 C ATOM 158 O ALA A 15 -5.713 -6.353 42.794 1.00 0.00 O ATOM 159 CB ALA A 15 -6.052 -8.007 40.449 1.00 0.00 C ATOM 0 H ALA A 15 -3.996 -6.944 39.570 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.559 -6.079 39.672 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.069 -8.240 40.764 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.874 -8.426 39.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.345 -8.439 41.157 1.00 0.00 H new ATOM 165 N GLY A 16 -6.993 -4.824 41.752 1.00 0.00 N ATOM 166 CA GLY A 16 -7.360 -4.161 42.989 1.00 0.00 C ATOM 167 C GLY A 16 -7.071 -2.673 42.958 1.00 0.00 C ATOM 168 O GLY A 16 -7.908 -1.862 43.355 1.00 0.00 O ATOM 0 H GLY A 16 -7.398 -4.415 40.910 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.422 -4.318 43.180 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.816 -4.616 43.817 1.00 0.00 H new ATOM 172 N CYS A 17 -5.882 -2.313 42.485 1.00 0.00 N ATOM 173 CA CYS A 17 -5.483 -0.913 42.405 1.00 0.00 C ATOM 174 C CYS A 17 -6.134 -0.229 41.206 1.00 0.00 C ATOM 175 O CYS A 17 -6.524 -0.885 40.241 1.00 0.00 O ATOM 176 CB CYS A 17 -3.960 -0.800 42.305 1.00 0.00 C ATOM 177 SG CYS A 17 -3.369 0.841 41.780 1.00 0.00 S ATOM 0 H CYS A 17 -5.178 -2.972 42.151 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.819 -0.413 43.313 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.524 -1.038 43.275 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.596 -1.548 41.600 1.00 0.00 H new ATOM 182 N ALA A 18 -6.249 1.093 41.277 1.00 0.00 N ATOM 183 CA ALA A 18 -6.850 1.866 40.197 1.00 0.00 C ATOM 184 C ALA A 18 -6.086 3.164 39.960 1.00 0.00 C ATOM 185 O ALA A 18 -6.035 4.035 40.830 1.00 0.00 O ATOM 186 CB ALA A 18 -8.310 2.160 40.508 1.00 0.00 C ATOM 0 H ALA A 18 -5.934 1.651 42.071 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.797 1.272 39.285 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.746 2.738 39.693 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.854 1.222 40.620 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.377 2.731 41.434 1.00 0.00 H new ATOM 192 N THR A 19 -5.493 3.289 38.777 1.00 0.00 N ATOM 193 CA THR A 19 -4.730 4.480 38.426 1.00 0.00 C ATOM 194 C THR A 19 -4.765 4.733 36.924 1.00 0.00 C ATOM 195 O THR A 19 -4.592 3.813 36.124 1.00 0.00 O ATOM 196 CB THR A 19 -3.263 4.362 38.881 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.006 5.280 39.951 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.314 4.643 37.726 1.00 0.00 C ATOM 0 H THR A 19 -5.527 2.579 38.045 1.00 0.00 H new ATOM 0 HA THR A 19 -5.197 5.318 38.944 1.00 0.00 H new ATOM 0 HB THR A 19 -3.095 3.343 39.229 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.072 5.197 40.236 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.284 4.554 38.071 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.492 3.925 36.926 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.485 5.652 37.352 1.00 0.00 H new ATOM 206 N THR A 20 -4.989 5.987 36.544 1.00 0.00 N ATOM 207 CA THR A 20 -5.048 6.361 35.137 1.00 0.00 C ATOM 208 C THR A 20 -4.120 7.534 34.841 1.00 0.00 C ATOM 209 O THR A 20 -3.566 8.146 35.754 1.00 0.00 O ATOM 210 CB THR A 20 -6.481 6.736 34.714 1.00 0.00 C ATOM 211 OG1 THR A 20 -7.287 6.974 35.873 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.104 5.630 33.875 1.00 0.00 C ATOM 0 H THR A 20 -5.133 6.761 37.192 1.00 0.00 H new ATOM 0 HA THR A 20 -4.725 5.491 34.565 1.00 0.00 H new ATOM 0 HB THR A 20 -6.433 7.644 34.113 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.196 7.214 35.596 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.116 5.917 33.588 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.504 5.471 32.979 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.139 4.709 34.456 1.00 0.00 H new ATOM 220 N TYR A 21 -3.955 7.843 33.559 1.00 0.00 N ATOM 221 CA TYR A 21 -3.092 8.942 33.143 1.00 0.00 C ATOM 222 C TYR A 21 -3.164 10.097 34.136 1.00 0.00 C ATOM 223 O TYR A 21 -2.142 10.567 34.634 1.00 0.00 O ATOM 224 CB TYR A 21 -3.488 9.428 31.748 1.00 0.00 C ATOM 225 CG TYR A 21 -2.725 10.652 31.294 1.00 0.00 C ATOM 226 CD1 TYR A 21 -1.336 10.660 31.269 1.00 0.00 C ATOM 227 CD2 TYR A 21 -3.394 11.801 30.890 1.00 0.00 C ATOM 228 CE1 TYR A 21 -0.635 11.776 30.856 1.00 0.00 C ATOM 229 CE2 TYR A 21 -2.701 12.922 30.474 1.00 0.00 C ATOM 230 CZ TYR A 21 -1.322 12.905 30.459 1.00 0.00 C ATOM 231 OH TYR A 21 -0.628 14.018 30.046 1.00 0.00 O ATOM 0 H TYR A 21 -4.408 7.348 32.791 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.066 8.575 33.115 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.325 8.622 31.032 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.555 9.651 31.739 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.795 9.778 31.578 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.474 11.818 30.901 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.445 11.765 30.844 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.236 13.807 30.162 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.260 14.725 29.799 1.00 0.00 H new ATOM 241 N ASN A 22 -4.381 10.551 34.420 1.00 0.00 N ATOM 242 CA ASN A 22 -4.588 11.651 35.354 1.00 0.00 C ATOM 243 C ASN A 22 -3.667 12.823 35.027 1.00 0.00 C ATOM 244 O ASN A 22 -3.021 12.846 33.979 1.00 0.00 O ATOM 245 CB ASN A 22 -4.346 11.182 36.789 1.00 0.00 C ATOM 246 CG ASN A 22 -5.610 11.206 37.627 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.664 10.742 37.193 1.00 0.00 O ATOM 248 ND2 ASN A 22 -5.508 11.749 38.835 1.00 0.00 N ATOM 0 H ASN A 22 -5.238 10.174 34.016 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.621 11.986 35.259 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.943 10.170 36.774 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.593 11.818 37.254 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.325 11.794 39.445 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.613 12.121 39.153 1.00 0.00 H new ATOM 255 N LYS A 23 -3.610 13.794 35.932 1.00 0.00 N ATOM 256 CA LYS A 23 -2.767 14.968 35.743 1.00 0.00 C ATOM 257 C LYS A 23 -1.668 15.024 36.799 1.00 0.00 C ATOM 258 O LYS A 23 -0.486 14.876 36.488 1.00 0.00 O ATOM 259 CB LYS A 23 -3.612 16.243 35.803 1.00 0.00 C ATOM 260 CG LYS A 23 -3.185 17.303 34.802 1.00 0.00 C ATOM 261 CD LYS A 23 -3.589 18.695 35.258 1.00 0.00 C ATOM 262 CE LYS A 23 -5.099 18.826 35.377 1.00 0.00 C ATOM 263 NZ LYS A 23 -5.594 20.099 34.782 1.00 0.00 N ATOM 0 H LYS A 23 -4.138 13.791 36.805 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.300 14.895 34.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.656 15.986 35.624 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.554 16.660 36.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.104 17.263 34.667 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.636 17.092 33.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.127 18.912 36.221 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.213 19.434 34.550 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.577 17.982 34.879 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.386 18.780 36.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.628 20.151 34.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.157 20.905 35.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.343 20.131 33.773 1.00 0.00 H new ATOM 277 N HIS A 24 -2.065 15.238 38.050 1.00 0.00 N ATOM 278 CA HIS A 24 -1.113 15.311 39.152 1.00 0.00 C ATOM 279 C HIS A 24 -0.949 13.949 39.820 1.00 0.00 C ATOM 280 O HIS A 24 -1.262 13.785 41.000 1.00 0.00 O ATOM 281 CB HIS A 24 -1.571 16.345 40.181 1.00 0.00 C ATOM 282 CG HIS A 24 -1.043 17.723 39.922 1.00 0.00 C ATOM 283 ND1 HIS A 24 -1.766 18.694 39.262 1.00 0.00 N ATOM 284 CD2 HIS A 24 0.144 18.290 40.239 1.00 0.00 C ATOM 285 CE1 HIS A 24 -1.046 19.799 39.183 1.00 0.00 C ATOM 286 NE2 HIS A 24 0.118 19.580 39.769 1.00 0.00 N ATOM 0 H HIS A 24 -3.039 15.364 38.325 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.148 15.615 38.747 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.660 16.378 40.190 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.253 16.024 41.173 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.960 17.816 40.764 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.356 20.724 38.719 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.874 20.259 39.858 1.00 0.00 H new ATOM 294 N ILE A 25 -0.458 12.977 39.059 1.00 0.00 N ATOM 295 CA ILE A 25 -0.253 11.631 39.578 1.00 0.00 C ATOM 296 C ILE A 25 1.220 11.376 39.879 1.00 0.00 C ATOM 297 O ILE A 25 1.565 10.844 40.933 1.00 0.00 O ATOM 298 CB ILE A 25 -0.756 10.563 38.588 1.00 0.00 C ATOM 299 CG1 ILE A 25 -2.098 9.996 39.053 1.00 0.00 C ATOM 300 CG2 ILE A 25 0.273 9.452 38.440 1.00 0.00 C ATOM 301 CD1 ILE A 25 -2.355 8.584 38.576 1.00 0.00 C ATOM 0 H ILE A 25 -0.195 13.097 38.081 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.828 11.558 40.501 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.900 11.031 37.614 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.133 10.015 40.142 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.900 10.643 38.697 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.097 8.705 37.738 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.208 9.870 38.067 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.446 8.984 39.409 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.324 8.247 38.943 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.352 8.562 37.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.574 7.924 38.954 1.00 0.00 H new ATOM 313 N ASN A 26 2.084 11.761 38.946 1.00 0.00 N ATOM 314 CA ASN A 26 3.521 11.575 39.111 1.00 0.00 C ATOM 315 C ASN A 26 3.934 10.157 38.729 1.00 0.00 C ATOM 316 O ASN A 26 4.984 9.949 38.119 1.00 0.00 O ATOM 317 CB ASN A 26 3.930 11.865 40.557 1.00 0.00 C ATOM 318 CG ASN A 26 4.236 10.601 41.336 1.00 0.00 C ATOM 319 OD1 ASN A 26 5.149 9.851 40.990 1.00 0.00 O ATOM 320 ND2 ASN A 26 3.471 10.358 42.394 1.00 0.00 N ATOM 0 H ASN A 26 1.814 12.204 38.068 1.00 0.00 H new ATOM 0 HA ASN A 26 4.031 12.274 38.448 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.807 12.512 40.561 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.129 12.411 41.056 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.629 9.522 42.956 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.725 11.007 42.644 1.00 0.00 H new ATOM 327 N ILE A 27 3.102 9.187 39.090 1.00 0.00 N ATOM 328 CA ILE A 27 3.380 7.789 38.783 1.00 0.00 C ATOM 329 C ILE A 27 3.638 7.595 37.293 1.00 0.00 C ATOM 330 O ILE A 27 2.905 8.116 36.452 1.00 0.00 O ATOM 331 CB ILE A 27 2.217 6.876 39.215 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.975 6.999 40.721 1.00 0.00 C ATOM 333 CG2 ILE A 27 2.509 5.432 38.836 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.117 5.890 41.287 1.00 0.00 C ATOM 0 H ILE A 27 2.230 9.343 39.595 1.00 0.00 H new ATOM 0 HA ILE A 27 4.274 7.514 39.343 1.00 0.00 H new ATOM 0 HB ILE A 27 1.313 7.192 38.694 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.936 7.003 41.236 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.499 7.957 40.927 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.678 4.799 39.148 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.636 5.358 37.756 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.422 5.103 39.332 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.987 6.041 42.359 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.143 5.899 40.799 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.602 4.930 41.112 1.00 0.00 H new ATOM 346 N SER A 28 4.684 6.839 36.973 1.00 0.00 N ATOM 347 CA SER A 28 5.040 6.577 35.584 1.00 0.00 C ATOM 348 C SER A 28 4.486 5.231 35.125 1.00 0.00 C ATOM 349 O SER A 28 4.646 4.217 35.804 1.00 0.00 O ATOM 350 CB SER A 28 6.561 6.600 35.412 1.00 0.00 C ATOM 351 OG SER A 28 7.213 6.721 36.664 1.00 0.00 O ATOM 0 H SER A 28 5.299 6.398 37.657 1.00 0.00 H new ATOM 0 HA SER A 28 4.599 7.361 34.968 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.888 5.687 34.915 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.845 7.433 34.768 1.00 0.00 H new ATOM 0 HG SER A 28 8.183 6.732 36.528 1.00 0.00 H new ATOM 357 N PHE A 29 3.832 5.231 33.968 1.00 0.00 N ATOM 358 CA PHE A 29 3.252 4.011 33.418 1.00 0.00 C ATOM 359 C PHE A 29 4.317 3.168 32.724 1.00 0.00 C ATOM 360 O PHE A 29 4.747 3.481 31.613 1.00 0.00 O ATOM 361 CB PHE A 29 2.134 4.353 32.432 1.00 0.00 C ATOM 362 CG PHE A 29 2.588 5.207 31.282 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.673 6.583 31.415 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.931 4.632 30.069 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.090 7.371 30.359 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.349 5.415 29.009 1.00 0.00 C ATOM 367 CZ PHE A 29 3.430 6.786 29.155 1.00 0.00 C ATOM 0 H PHE A 29 3.690 6.062 33.393 1.00 0.00 H new ATOM 0 HA PHE A 29 2.836 3.432 34.242 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.709 3.428 32.042 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.336 4.870 32.965 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.410 7.046 32.355 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.871 3.560 29.950 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.150 8.443 30.475 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.612 4.955 28.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.759 7.400 28.329 1.00 0.00 H new ATOM 377 N HIS A 30 4.740 2.096 33.387 1.00 0.00 N ATOM 378 CA HIS A 30 5.755 1.206 32.835 1.00 0.00 C ATOM 379 C HIS A 30 5.130 -0.105 32.364 1.00 0.00 C ATOM 380 O HIS A 30 4.873 -1.004 33.165 1.00 0.00 O ATOM 381 CB HIS A 30 6.837 0.923 33.877 1.00 0.00 C ATOM 382 CG HIS A 30 7.635 2.133 34.255 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.552 2.723 33.412 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.647 2.864 35.394 1.00 0.00 C ATOM 385 CE1 HIS A 30 9.096 3.765 34.016 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.563 3.872 35.220 1.00 0.00 N ATOM 0 H HIS A 30 4.395 1.823 34.307 1.00 0.00 H new ATOM 0 HA HIS A 30 6.209 1.701 31.977 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.370 0.512 34.772 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.512 0.159 33.490 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.776 2.405 32.469 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.048 2.687 36.275 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.848 4.417 33.597 1.00 0.00 H new ATOM 394 N ARG A 31 4.889 -0.205 31.061 1.00 0.00 N ATOM 395 CA ARG A 31 4.293 -1.404 30.484 1.00 0.00 C ATOM 396 C ARG A 31 5.088 -2.647 30.875 1.00 0.00 C ATOM 397 O ARG A 31 6.170 -2.549 31.452 1.00 0.00 O ATOM 398 CB ARG A 31 4.229 -1.285 28.960 1.00 0.00 C ATOM 399 CG ARG A 31 5.591 -1.321 28.288 1.00 0.00 C ATOM 400 CD ARG A 31 5.831 -0.075 27.449 1.00 0.00 C ATOM 401 NE ARG A 31 6.742 -0.332 26.337 1.00 0.00 N ATOM 402 CZ ARG A 31 6.912 0.504 25.319 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.238 1.644 25.273 1.00 0.00 N ATOM 404 NH2 ARG A 31 7.760 0.200 24.344 1.00 0.00 N ATOM 0 H ARG A 31 5.097 0.530 30.385 1.00 0.00 H new ATOM 0 HA ARG A 31 3.281 -1.502 30.876 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.618 -2.097 28.566 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.729 -0.353 28.698 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.370 -1.406 29.046 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.663 -2.206 27.656 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.880 0.290 27.062 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.242 0.713 28.080 1.00 0.00 H new ATOM 0 HE ARG A 31 7.277 -1.201 26.342 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.586 1.882 26.021 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.371 2.284 24.490 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.281 -0.676 24.376 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.890 0.842 23.562 1.00 0.00 H new ATOM 418 N PHE A 32 4.542 -3.816 30.555 1.00 0.00 N ATOM 419 CA PHE A 32 5.198 -5.079 30.874 1.00 0.00 C ATOM 420 C PHE A 32 6.515 -5.214 30.115 1.00 0.00 C ATOM 421 O PHE A 32 6.710 -4.628 29.050 1.00 0.00 O ATOM 422 CB PHE A 32 4.279 -6.255 30.536 1.00 0.00 C ATOM 423 CG PHE A 32 3.176 -6.459 31.535 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.228 -5.472 31.751 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.086 -7.639 32.256 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.212 -5.657 32.670 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.072 -7.830 33.176 1.00 0.00 C ATOM 428 CZ PHE A 32 1.133 -6.838 33.382 1.00 0.00 C ATOM 0 H PHE A 32 3.647 -3.915 30.075 1.00 0.00 H new ATOM 0 HA PHE A 32 5.412 -5.089 31.943 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.841 -6.092 29.551 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.875 -7.165 30.473 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.283 -4.548 31.195 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.817 -8.418 32.097 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.481 -4.879 32.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.014 -8.754 33.733 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.338 -6.986 34.099 1.00 0.00 H new ATOM 438 N PRO A 33 7.442 -6.004 30.677 1.00 0.00 N ATOM 439 CA PRO A 33 8.757 -6.235 30.071 1.00 0.00 C ATOM 440 C PRO A 33 8.671 -7.073 28.800 1.00 0.00 C ATOM 441 O PRO A 33 7.836 -7.973 28.693 1.00 0.00 O ATOM 442 CB PRO A 33 9.521 -6.991 31.160 1.00 0.00 C ATOM 443 CG PRO A 33 8.464 -7.657 31.972 1.00 0.00 C ATOM 444 CD PRO A 33 7.278 -6.733 31.945 1.00 0.00 C ATOM 0 HA PRO A 33 9.234 -5.304 29.765 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.207 -7.720 30.729 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.119 -6.312 31.768 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.209 -8.632 31.556 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.805 -7.825 32.994 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.338 -7.285 31.973 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.276 -6.057 32.800 1.00 0.00 H new ATOM 452 N LEU A 34 9.538 -6.774 27.840 1.00 0.00 N ATOM 453 CA LEU A 34 9.561 -7.501 26.575 1.00 0.00 C ATOM 454 C LEU A 34 10.250 -8.852 26.736 1.00 0.00 C ATOM 455 O LEU A 34 10.092 -9.744 25.903 1.00 0.00 O ATOM 456 CB LEU A 34 10.274 -6.676 25.502 1.00 0.00 C ATOM 457 CG LEU A 34 9.633 -5.332 25.153 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.169 -5.316 25.564 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.389 -4.192 25.819 1.00 0.00 C ATOM 0 H LEU A 34 10.235 -6.033 27.913 1.00 0.00 H new ATOM 0 HA LEU A 34 8.530 -7.674 26.265 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.297 -6.493 25.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.335 -7.274 24.593 1.00 0.00 H new ATOM 0 HG LEU A 34 9.687 -5.195 24.073 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.730 -4.352 25.308 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.635 -6.109 25.040 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.091 -5.476 26.639 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.919 -3.243 25.560 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.367 -4.324 26.901 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.423 -4.191 25.474 1.00 0.00 H new ATOM 471 N ASP A 35 11.014 -8.996 27.813 1.00 0.00 N ATOM 472 CA ASP A 35 11.725 -10.239 28.086 1.00 0.00 C ATOM 473 C ASP A 35 10.792 -11.275 28.704 1.00 0.00 C ATOM 474 O ASP A 35 9.884 -10.950 29.469 1.00 0.00 O ATOM 475 CB ASP A 35 12.910 -9.981 29.018 1.00 0.00 C ATOM 476 CG ASP A 35 14.204 -10.565 28.486 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.743 -10.016 27.503 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.678 -11.570 29.054 1.00 0.00 O ATOM 0 H ASP A 35 11.157 -8.267 28.512 1.00 0.00 H new ATOM 0 HA ASP A 35 12.097 -10.630 27.139 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.031 -8.907 29.159 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.698 -10.409 29.998 1.00 0.00 H new ATOM 483 N PRO A 36 11.018 -12.553 28.366 1.00 0.00 N ATOM 484 CA PRO A 36 10.207 -13.663 28.876 1.00 0.00 C ATOM 485 C PRO A 36 10.438 -13.913 30.363 1.00 0.00 C ATOM 486 O PRO A 36 9.524 -14.313 31.085 1.00 0.00 O ATOM 487 CB PRO A 36 10.686 -14.860 28.052 1.00 0.00 C ATOM 488 CG PRO A 36 12.073 -14.506 27.639 1.00 0.00 C ATOM 489 CD PRO A 36 12.083 -13.014 27.459 1.00 0.00 C ATOM 0 HA PRO A 36 9.139 -13.465 28.783 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.670 -15.777 28.641 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.045 -15.026 27.186 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.796 -14.813 28.395 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.346 -15.013 26.713 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.049 -12.584 27.723 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.880 -12.733 26.426 1.00 0.00 H new ATOM 497 N LYS A 37 11.664 -13.675 30.815 1.00 0.00 N ATOM 498 CA LYS A 37 12.016 -13.873 32.216 1.00 0.00 C ATOM 499 C LYS A 37 11.177 -12.974 33.119 1.00 0.00 C ATOM 500 O LYS A 37 10.708 -13.402 34.174 1.00 0.00 O ATOM 501 CB LYS A 37 13.504 -13.588 32.435 1.00 0.00 C ATOM 502 CG LYS A 37 14.418 -14.653 31.855 1.00 0.00 C ATOM 503 CD LYS A 37 15.526 -14.039 31.015 1.00 0.00 C ATOM 504 CE LYS A 37 16.786 -13.813 31.836 1.00 0.00 C ATOM 505 NZ LYS A 37 17.090 -12.364 31.998 1.00 0.00 N ATOM 0 H LYS A 37 12.432 -13.344 30.231 1.00 0.00 H new ATOM 0 HA LYS A 37 11.810 -14.912 32.474 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.751 -12.626 31.987 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.695 -13.500 33.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.855 -15.239 32.664 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.834 -15.341 31.243 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.751 -14.694 30.173 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.186 -13.090 30.599 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.667 -14.271 32.818 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.628 -14.309 31.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.956 -12.252 32.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.229 -11.932 31.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.298 -11.895 32.482 1.00 0.00 H new ATOM 519 N ARG A 38 10.992 -11.727 32.698 1.00 0.00 N ATOM 520 CA ARG A 38 10.210 -10.769 33.469 1.00 0.00 C ATOM 521 C ARG A 38 8.734 -10.838 33.087 1.00 0.00 C ATOM 522 O ARG A 38 7.860 -10.897 33.952 1.00 0.00 O ATOM 523 CB ARG A 38 10.739 -9.350 33.248 1.00 0.00 C ATOM 524 CG ARG A 38 12.252 -9.243 33.344 1.00 0.00 C ATOM 525 CD ARG A 38 12.737 -9.467 34.767 1.00 0.00 C ATOM 526 NE ARG A 38 14.195 -9.486 34.852 1.00 0.00 N ATOM 527 CZ ARG A 38 14.865 -10.012 35.871 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.212 -10.558 36.887 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.192 -9.991 35.876 1.00 0.00 N ATOM 0 H ARG A 38 11.373 -11.357 31.827 1.00 0.00 H new ATOM 0 HA ARG A 38 10.307 -11.025 34.524 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.420 -9.001 32.266 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.289 -8.684 33.984 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.712 -9.976 32.682 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.571 -8.259 33.000 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.347 -8.679 35.411 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.340 -10.411 35.141 1.00 0.00 H new ATOM 0 HE ARG A 38 14.728 -9.073 34.087 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.192 -10.575 36.888 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.729 -10.961 37.668 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.698 -9.571 35.097 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.706 -10.395 36.659 1.00 0.00 H new ATOM 543 N ARG A 39 8.465 -10.830 31.785 1.00 0.00 N ATOM 544 CA ARG A 39 7.096 -10.890 31.288 1.00 0.00 C ATOM 545 C ARG A 39 6.243 -11.814 32.153 1.00 0.00 C ATOM 546 O ARG A 39 5.145 -11.450 32.575 1.00 0.00 O ATOM 547 CB ARG A 39 7.078 -11.373 29.836 1.00 0.00 C ATOM 548 CG ARG A 39 5.683 -11.459 29.240 1.00 0.00 C ATOM 549 CD ARG A 39 5.514 -12.714 28.397 1.00 0.00 C ATOM 550 NE ARG A 39 4.877 -12.429 27.114 1.00 0.00 N ATOM 551 CZ ARG A 39 5.527 -11.940 26.064 1.00 0.00 C ATOM 552 NH1 ARG A 39 6.825 -11.682 26.144 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.879 -11.707 24.930 1.00 0.00 N ATOM 0 H ARG A 39 9.177 -10.783 31.056 1.00 0.00 H new ATOM 0 HA ARG A 39 6.675 -9.886 31.335 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.682 -10.698 29.230 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.548 -12.355 29.783 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.943 -11.455 30.040 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.493 -10.579 28.626 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.489 -13.169 28.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.915 -13.441 28.945 1.00 0.00 H new ATOM 0 HE ARG A 39 3.879 -12.616 27.019 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.327 -11.859 27.014 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.321 -11.307 25.336 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.880 -11.903 24.864 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.380 -11.331 24.124 1.00 0.00 H new ATOM 567 N LYS A 40 6.756 -13.012 32.413 1.00 0.00 N ATOM 568 CA LYS A 40 6.043 -13.989 33.228 1.00 0.00 C ATOM 569 C LYS A 40 6.002 -13.552 34.689 1.00 0.00 C ATOM 570 O LYS A 40 4.994 -13.732 35.371 1.00 0.00 O ATOM 571 CB LYS A 40 6.710 -15.362 33.114 1.00 0.00 C ATOM 572 CG LYS A 40 6.714 -15.921 31.702 1.00 0.00 C ATOM 573 CD LYS A 40 5.368 -15.728 31.022 1.00 0.00 C ATOM 574 CE LYS A 40 5.109 -16.807 29.982 1.00 0.00 C ATOM 575 NZ LYS A 40 4.087 -16.383 28.986 1.00 0.00 N ATOM 0 H LYS A 40 7.663 -13.330 32.071 1.00 0.00 H new ATOM 0 HA LYS A 40 5.020 -14.057 32.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.738 -15.288 33.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.195 -16.062 33.772 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.492 -15.430 31.117 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.959 -16.983 31.731 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.576 -15.745 31.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.337 -14.748 30.546 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.040 -17.047 29.468 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.776 -17.718 30.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.939 -17.146 28.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.191 -16.179 29.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.416 -15.528 28.493 1.00 0.00 H new ATOM 589 N GLU A 41 7.103 -12.975 35.161 1.00 0.00 N ATOM 590 CA GLU A 41 7.190 -12.513 36.541 1.00 0.00 C ATOM 591 C GLU A 41 6.131 -11.452 36.827 1.00 0.00 C ATOM 592 O GLU A 41 5.304 -11.611 37.725 1.00 0.00 O ATOM 593 CB GLU A 41 8.583 -11.948 36.826 1.00 0.00 C ATOM 594 CG GLU A 41 9.579 -12.994 37.296 1.00 0.00 C ATOM 595 CD GLU A 41 9.153 -14.406 36.944 1.00 0.00 C ATOM 596 OE1 GLU A 41 9.099 -14.727 35.738 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.873 -15.190 37.874 1.00 0.00 O ATOM 0 H GLU A 41 7.946 -12.817 34.609 1.00 0.00 H new ATOM 0 HA GLU A 41 7.011 -13.366 37.195 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.966 -11.474 35.922 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.502 -11.169 37.584 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.552 -12.790 36.849 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.701 -12.914 38.376 1.00 0.00 H new ATOM 604 N TRP A 42 6.163 -10.370 36.058 1.00 0.00 N ATOM 605 CA TRP A 42 5.207 -9.282 36.228 1.00 0.00 C ATOM 606 C TRP A 42 3.785 -9.820 36.346 1.00 0.00 C ATOM 607 O TRP A 42 3.021 -9.396 37.213 1.00 0.00 O ATOM 608 CB TRP A 42 5.300 -8.305 35.055 1.00 0.00 C ATOM 609 CG TRP A 42 6.516 -7.431 35.104 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.817 -7.840 35.179 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.544 -6.000 35.084 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.652 -6.749 35.207 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.896 -5.608 35.149 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.560 -5.011 35.015 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.285 -4.272 35.148 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.947 -3.684 35.015 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.299 -3.324 35.080 1.00 0.00 C ATOM 0 H TRP A 42 6.841 -10.222 35.310 1.00 0.00 H new ATOM 0 HA TRP A 42 5.454 -8.756 37.150 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.304 -8.868 34.122 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.410 -7.676 35.044 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.142 -8.870 35.212 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.670 -6.783 35.262 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.515 -5.278 34.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.327 -3.993 35.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.194 -2.912 34.964 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.569 -2.278 35.076 1.00 0.00 H new ATOM 628 N VAL A 43 3.437 -10.757 35.470 1.00 0.00 N ATOM 629 CA VAL A 43 2.107 -11.354 35.478 1.00 0.00 C ATOM 630 C VAL A 43 1.952 -12.336 36.633 1.00 0.00 C ATOM 631 O VAL A 43 0.842 -12.591 37.100 1.00 0.00 O ATOM 632 CB VAL A 43 1.812 -12.085 34.154 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.359 -12.531 34.102 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.147 -11.193 32.968 1.00 0.00 C ATOM 0 H VAL A 43 4.058 -11.119 34.746 1.00 0.00 H new ATOM 0 HA VAL A 43 1.395 -10.538 35.601 1.00 0.00 H new ATOM 0 HB VAL A 43 2.441 -12.973 34.101 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.170 -13.045 33.160 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.156 -13.208 34.932 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.292 -11.660 34.177 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.933 -11.725 32.041 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.545 -10.286 33.014 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.204 -10.929 32.999 1.00 0.00 H new ATOM 644 N ARG A 44 3.073 -12.884 37.091 1.00 0.00 N ATOM 645 CA ARG A 44 3.062 -13.840 38.192 1.00 0.00 C ATOM 646 C ARG A 44 3.021 -13.119 39.536 1.00 0.00 C ATOM 647 O ARG A 44 2.634 -13.699 40.552 1.00 0.00 O ATOM 648 CB ARG A 44 4.294 -14.744 38.123 1.00 0.00 C ATOM 649 CG ARG A 44 4.753 -15.252 39.480 1.00 0.00 C ATOM 650 CD ARG A 44 5.589 -16.516 39.347 1.00 0.00 C ATOM 651 NE ARG A 44 6.437 -16.736 40.516 1.00 0.00 N ATOM 652 CZ ARG A 44 7.050 -17.886 40.773 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.910 -18.914 39.948 1.00 0.00 N ATOM 654 NH2 ARG A 44 7.806 -18.009 41.857 1.00 0.00 N ATOM 0 H ARG A 44 4.000 -12.682 36.717 1.00 0.00 H new ATOM 0 HA ARG A 44 2.165 -14.453 38.100 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.073 -15.597 37.481 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.111 -14.195 37.654 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.336 -14.479 39.981 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.885 -15.453 40.108 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.930 -17.374 39.210 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.212 -16.447 38.455 1.00 0.00 H new ATOM 0 HE ARG A 44 6.565 -15.964 41.171 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.331 -18.823 39.114 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.382 -19.796 40.148 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.917 -17.220 42.494 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.276 -18.893 42.053 1.00 0.00 H new ATOM 668 N LEU A 45 3.425 -11.853 39.536 1.00 0.00 N ATOM 669 CA LEU A 45 3.435 -11.053 40.755 1.00 0.00 C ATOM 670 C LEU A 45 2.113 -10.313 40.932 1.00 0.00 C ATOM 671 O LEU A 45 1.726 -9.969 42.049 1.00 0.00 O ATOM 672 CB LEU A 45 4.592 -10.053 40.723 1.00 0.00 C ATOM 673 CG LEU A 45 5.994 -10.644 40.866 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.977 -9.911 39.966 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.452 -10.587 42.316 1.00 0.00 C ATOM 0 H LEU A 45 3.750 -11.359 38.705 1.00 0.00 H new ATOM 0 HA LEU A 45 3.569 -11.727 41.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.545 -9.504 39.783 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.442 -9.328 41.523 1.00 0.00 H new ATOM 0 HG LEU A 45 5.960 -11.689 40.557 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.970 -10.346 40.081 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.659 -10.004 38.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.008 -8.857 40.243 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.452 -11.012 42.399 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.470 -9.550 42.652 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.763 -11.158 42.938 1.00 0.00 H new ATOM 687 N VAL A 46 1.422 -10.073 39.822 1.00 0.00 N ATOM 688 CA VAL A 46 0.141 -9.378 39.855 1.00 0.00 C ATOM 689 C VAL A 46 -1.011 -10.355 40.059 1.00 0.00 C ATOM 690 O VAL A 46 -2.146 -9.950 40.311 1.00 0.00 O ATOM 691 CB VAL A 46 -0.099 -8.583 38.558 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.084 -9.510 37.352 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.412 -7.819 38.636 1.00 0.00 C ATOM 0 H VAL A 46 1.728 -10.350 38.889 1.00 0.00 H new ATOM 0 HA VAL A 46 0.179 -8.686 40.696 1.00 0.00 H new ATOM 0 HB VAL A 46 0.709 -7.861 38.441 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.255 -8.930 36.445 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.884 -10.007 37.287 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.870 -10.258 37.458 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.565 -7.263 37.711 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.234 -8.521 38.778 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.380 -7.125 39.475 1.00 0.00 H new ATOM 703 N ARG A 47 -0.711 -11.646 39.949 1.00 0.00 N ATOM 704 CA ARG A 47 -1.722 -12.682 40.121 1.00 0.00 C ATOM 705 C ARG A 47 -3.047 -12.259 39.494 1.00 0.00 C ATOM 706 O ARG A 47 -3.993 -11.905 40.197 1.00 0.00 O ATOM 707 CB ARG A 47 -1.923 -12.987 41.607 1.00 0.00 C ATOM 708 CG ARG A 47 -0.622 -13.149 42.376 1.00 0.00 C ATOM 709 CD ARG A 47 -0.533 -14.515 43.037 1.00 0.00 C ATOM 710 NE ARG A 47 0.848 -14.978 43.153 1.00 0.00 N ATOM 711 CZ ARG A 47 1.698 -14.531 44.070 1.00 0.00 C ATOM 712 NH1 ARG A 47 1.311 -13.616 44.948 1.00 0.00 N ATOM 713 NH2 ARG A 47 2.939 -15.001 44.112 1.00 0.00 N ATOM 0 H ARG A 47 0.223 -11.998 39.742 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.372 -13.583 39.616 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.505 -12.184 42.059 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.510 -13.900 41.706 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.221 -13.016 41.699 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.547 -12.370 43.135 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.984 -14.468 44.028 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.110 -15.236 42.458 1.00 0.00 H new ATOM 0 HE ARG A 47 1.177 -15.683 42.494 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.358 -13.253 44.920 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.966 -13.275 45.651 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.240 -15.706 43.439 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.591 -14.657 44.817 1.00 0.00 H new ATOM 727 N ARG A 48 -3.106 -12.298 38.167 1.00 0.00 N ATOM 728 CA ARG A 48 -4.314 -11.916 37.445 1.00 0.00 C ATOM 729 C ARG A 48 -4.868 -13.096 36.651 1.00 0.00 C ATOM 730 O ARG A 48 -5.481 -12.918 35.599 1.00 0.00 O ATOM 731 CB ARG A 48 -4.023 -10.747 36.503 1.00 0.00 C ATOM 732 CG ARG A 48 -4.826 -9.495 36.820 1.00 0.00 C ATOM 733 CD ARG A 48 -4.698 -8.457 35.716 1.00 0.00 C ATOM 734 NE ARG A 48 -5.292 -8.915 34.463 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.601 -8.953 34.241 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.448 -8.563 35.183 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.064 -9.383 33.074 1.00 0.00 N ATOM 0 H ARG A 48 -2.332 -12.590 37.570 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.062 -11.607 38.176 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.960 -10.509 36.551 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.235 -11.055 35.479 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.875 -9.758 36.953 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.482 -9.070 37.763 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.182 -7.532 36.030 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.645 -8.227 35.555 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.667 -9.223 33.717 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.095 -8.233 36.081 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.453 -8.593 35.010 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.415 -9.684 32.347 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.069 -9.412 32.904 1.00 0.00 H new ATOM 751 N LYS A 49 -4.648 -14.303 37.164 1.00 0.00 N ATOM 752 CA LYS A 49 -5.126 -15.513 36.505 1.00 0.00 C ATOM 753 C LYS A 49 -4.381 -15.749 35.195 1.00 0.00 C ATOM 754 O LYS A 49 -3.254 -15.287 35.019 1.00 0.00 O ATOM 755 CB LYS A 49 -6.629 -15.414 36.238 1.00 0.00 C ATOM 756 CG LYS A 49 -7.403 -16.654 36.649 1.00 0.00 C ATOM 757 CD LYS A 49 -8.740 -16.296 37.277 1.00 0.00 C ATOM 758 CE LYS A 49 -9.873 -17.117 36.682 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.541 -16.409 35.556 1.00 0.00 N ATOM 0 H LYS A 49 -4.142 -14.469 38.034 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.936 -16.357 37.168 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.029 -14.553 36.773 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.789 -15.231 35.175 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.568 -17.287 35.777 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.812 -17.235 37.357 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.694 -16.463 38.353 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.941 -15.235 37.128 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.483 -18.072 36.330 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.606 -17.339 37.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.307 -17.002 35.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.936 -15.509 35.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.847 -16.220 34.805 1.00 0.00 H new ATOM 773 N ASN A 50 -5.018 -16.471 34.279 1.00 0.00 N ATOM 774 CA ASN A 50 -4.415 -16.768 32.985 1.00 0.00 C ATOM 775 C ASN A 50 -4.467 -15.550 32.068 1.00 0.00 C ATOM 776 O ASN A 50 -4.936 -15.633 30.933 1.00 0.00 O ATOM 777 CB ASN A 50 -5.131 -17.948 32.324 1.00 0.00 C ATOM 778 CG ASN A 50 -4.579 -19.286 32.778 1.00 0.00 C ATOM 779 OD1 ASN A 50 -3.366 -19.492 32.809 1.00 0.00 O ATOM 780 ND2 ASN A 50 -5.471 -20.204 33.132 1.00 0.00 N ATOM 0 H ASN A 50 -5.951 -16.861 34.409 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.370 -17.032 33.151 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.195 -17.900 32.555 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.036 -17.867 31.241 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.160 -21.123 33.445 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.467 -19.990 33.091 1.00 0.00 H new ATOM 787 N PHE A 51 -3.983 -14.418 32.569 1.00 0.00 N ATOM 788 CA PHE A 51 -3.974 -13.182 31.796 1.00 0.00 C ATOM 789 C PHE A 51 -2.598 -12.930 31.187 1.00 0.00 C ATOM 790 O PHE A 51 -1.577 -13.332 31.746 1.00 0.00 O ATOM 791 CB PHE A 51 -4.377 -12.000 32.680 1.00 0.00 C ATOM 792 CG PHE A 51 -3.371 -10.884 32.684 1.00 0.00 C ATOM 793 CD1 PHE A 51 -3.311 -9.984 31.633 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.486 -10.737 33.740 1.00 0.00 C ATOM 795 CE1 PHE A 51 -2.387 -8.956 31.635 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.560 -9.711 33.747 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.509 -8.820 32.692 1.00 0.00 C ATOM 0 H PHE A 51 -3.592 -14.331 33.507 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.696 -13.285 30.986 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.337 -11.612 32.339 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.521 -12.353 33.701 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.994 -10.087 30.803 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.520 -11.432 34.566 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.352 -8.260 30.810 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.877 -9.606 34.577 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.784 -8.019 32.694 1.00 0.00 H new ATOM 807 N VAL A 52 -2.578 -12.264 30.038 1.00 0.00 N ATOM 808 CA VAL A 52 -1.328 -11.957 29.352 1.00 0.00 C ATOM 809 C VAL A 52 -1.237 -10.474 29.013 1.00 0.00 C ATOM 810 O VAL A 52 -2.230 -9.824 28.686 1.00 0.00 O ATOM 811 CB VAL A 52 -1.182 -12.779 28.058 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.692 -11.899 26.919 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.241 -13.954 28.277 1.00 0.00 C ATOM 0 H VAL A 52 -3.414 -11.926 29.561 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.519 -12.220 30.034 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.161 -13.173 27.786 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.595 -12.497 26.013 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.407 -11.094 26.748 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.277 -11.474 27.179 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.149 -14.524 27.352 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.740 -13.584 28.574 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.639 -14.597 29.062 1.00 0.00 H new ATOM 823 N PRO A 53 -0.016 -9.924 29.090 1.00 0.00 N ATOM 824 CA PRO A 53 0.235 -8.510 28.793 1.00 0.00 C ATOM 825 C PRO A 53 0.078 -8.193 27.310 1.00 0.00 C ATOM 826 O PRO A 53 1.038 -8.267 26.544 1.00 0.00 O ATOM 827 CB PRO A 53 1.688 -8.308 29.232 1.00 0.00 C ATOM 828 CG PRO A 53 2.304 -9.661 29.135 1.00 0.00 C ATOM 829 CD PRO A 53 1.213 -10.639 29.472 1.00 0.00 C ATOM 0 HA PRO A 53 -0.473 -7.855 29.300 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.200 -7.593 28.589 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.744 -7.919 30.249 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.694 -9.841 28.133 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.142 -9.758 29.825 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.324 -11.571 28.918 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.216 -10.895 30.531 1.00 0.00 H new ATOM 837 N GLY A 54 -1.139 -7.838 26.911 1.00 0.00 N ATOM 838 CA GLY A 54 -1.399 -7.514 25.520 1.00 0.00 C ATOM 839 C GLY A 54 -1.181 -6.045 25.217 1.00 0.00 C ATOM 840 O GLY A 54 -0.105 -5.649 24.766 1.00 0.00 O ATOM 0 H GLY A 54 -1.950 -7.769 27.526 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.749 -8.114 24.883 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.426 -7.784 25.273 1.00 0.00 H new ATOM 844 N LYS A 55 -2.204 -5.233 25.461 1.00 0.00 N ATOM 845 CA LYS A 55 -2.120 -3.799 25.211 1.00 0.00 C ATOM 846 C LYS A 55 -2.792 -3.011 26.332 1.00 0.00 C ATOM 847 O LYS A 55 -3.780 -3.460 26.914 1.00 0.00 O ATOM 848 CB LYS A 55 -2.772 -3.455 23.870 1.00 0.00 C ATOM 849 CG LYS A 55 -2.105 -2.297 23.148 1.00 0.00 C ATOM 850 CD LYS A 55 -2.277 -2.406 21.642 1.00 0.00 C ATOM 851 CE LYS A 55 -3.447 -1.566 21.153 1.00 0.00 C ATOM 852 NZ LYS A 55 -3.675 -1.731 19.691 1.00 0.00 N ATOM 0 H LYS A 55 -3.102 -5.544 25.832 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.066 -3.523 25.177 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.748 -4.335 23.227 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.821 -3.212 24.038 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.531 -1.356 23.497 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.043 -2.277 23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.362 -2.082 21.146 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.436 -3.449 21.367 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.349 -1.849 21.695 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.258 -0.516 21.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.480 -1.143 19.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.823 -1.437 19.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.881 -2.729 19.482 1.00 0.00 H new ATOM 866 N HIS A 56 -2.250 -1.834 26.628 1.00 0.00 N ATOM 867 CA HIS A 56 -2.799 -0.983 27.678 1.00 0.00 C ATOM 868 C HIS A 56 -2.454 -1.532 29.059 1.00 0.00 C ATOM 869 O HIS A 56 -2.811 -0.945 30.080 1.00 0.00 O ATOM 870 CB HIS A 56 -4.316 -0.865 27.527 1.00 0.00 C ATOM 871 CG HIS A 56 -4.794 -1.053 26.121 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.699 -2.028 25.757 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.491 -0.381 24.985 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.929 -1.950 24.458 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.208 -0.958 23.967 1.00 0.00 N ATOM 0 H HIS A 56 -1.432 -1.448 26.156 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.354 0.007 27.579 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.795 -1.606 28.167 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.633 0.116 27.882 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.124 -2.704 26.391 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.811 0.454 24.897 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.593 -2.588 23.894 1.00 0.00 H new ATOM 883 N THR A 57 -1.757 -2.664 29.083 1.00 0.00 N ATOM 884 CA THR A 57 -1.365 -3.294 30.338 1.00 0.00 C ATOM 885 C THR A 57 -0.125 -2.629 30.923 1.00 0.00 C ATOM 886 O THR A 57 0.964 -2.714 30.355 1.00 0.00 O ATOM 887 CB THR A 57 -1.087 -4.797 30.149 1.00 0.00 C ATOM 888 OG1 THR A 57 -1.708 -5.263 28.945 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.604 -5.597 31.335 1.00 0.00 C ATOM 0 H THR A 57 -1.452 -3.163 28.247 1.00 0.00 H new ATOM 0 HA THR A 57 -2.200 -3.170 31.028 1.00 0.00 H new ATOM 0 HB THR A 57 -0.008 -4.938 30.079 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.952 -6.207 29.047 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.396 -6.655 31.178 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.107 -5.260 32.245 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.680 -5.449 31.433 1.00 0.00 H new ATOM 897 N PHE A 58 -0.297 -1.967 32.063 1.00 0.00 N ATOM 898 CA PHE A 58 0.810 -1.287 32.726 1.00 0.00 C ATOM 899 C PHE A 58 0.701 -1.421 34.242 1.00 0.00 C ATOM 900 O PHE A 58 -0.339 -1.818 34.768 1.00 0.00 O ATOM 901 CB PHE A 58 0.835 0.192 32.334 1.00 0.00 C ATOM 902 CG PHE A 58 0.458 1.116 33.457 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.410 1.545 34.367 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.848 1.554 33.601 1.00 0.00 C ATOM 905 CE1 PHE A 58 1.066 2.396 35.401 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.198 2.405 34.633 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.240 2.826 35.535 1.00 0.00 C ATOM 0 H PHE A 58 -1.192 -1.887 32.546 1.00 0.00 H new ATOM 0 HA PHE A 58 1.739 -1.758 32.403 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.834 0.450 31.982 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.152 0.350 31.499 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.432 1.211 34.268 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.601 1.227 32.899 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.818 2.724 36.103 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.220 2.740 34.734 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.511 3.490 36.343 1.00 0.00 H new ATOM 917 N LEU A 59 1.782 -1.089 34.938 1.00 0.00 N ATOM 918 CA LEU A 59 1.810 -1.172 36.394 1.00 0.00 C ATOM 919 C LEU A 59 2.382 0.104 37.002 1.00 0.00 C ATOM 920 O LEU A 59 3.348 0.671 36.489 1.00 0.00 O ATOM 921 CB LEU A 59 2.639 -2.378 36.840 1.00 0.00 C ATOM 922 CG LEU A 59 1.878 -3.696 36.994 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.763 -4.751 37.639 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.611 -3.487 37.812 1.00 0.00 C ATOM 0 H LEU A 59 2.651 -0.760 34.518 1.00 0.00 H new ATOM 0 HA LEU A 59 0.785 -1.292 36.745 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.443 -2.528 36.119 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.108 -2.138 37.795 1.00 0.00 H new ATOM 0 HG LEU A 59 1.593 -4.047 36.002 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.205 -5.682 37.740 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.641 -4.920 37.015 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.079 -4.408 38.624 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.082 -4.435 37.912 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.874 -3.112 38.801 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.031 -2.764 37.309 1.00 0.00 H new ATOM 936 N CYS A 60 1.781 0.552 38.099 1.00 0.00 N ATOM 937 CA CYS A 60 2.231 1.760 38.779 1.00 0.00 C ATOM 938 C CYS A 60 3.615 1.558 39.390 1.00 0.00 C ATOM 939 O CYS A 60 3.902 0.511 39.969 1.00 0.00 O ATOM 940 CB CYS A 60 1.234 2.158 39.870 1.00 0.00 C ATOM 941 SG CYS A 60 -0.506 2.134 39.331 1.00 0.00 S ATOM 0 H CYS A 60 0.980 0.096 38.536 1.00 0.00 H new ATOM 0 HA CYS A 60 2.292 2.560 38.041 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.350 1.482 40.717 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.480 3.159 40.224 1.00 0.00 H new ATOM 946 N SER A 61 4.468 2.569 39.255 1.00 0.00 N ATOM 947 CA SER A 61 5.823 2.501 39.790 1.00 0.00 C ATOM 948 C SER A 61 5.804 2.455 41.315 1.00 0.00 C ATOM 949 O SER A 61 6.679 1.857 41.941 1.00 0.00 O ATOM 950 CB SER A 61 6.641 3.704 39.315 1.00 0.00 C ATOM 951 OG SER A 61 5.980 4.921 39.614 1.00 0.00 O ATOM 0 H SER A 61 4.245 3.444 38.780 1.00 0.00 H new ATOM 0 HA SER A 61 6.287 1.586 39.423 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.621 3.692 39.792 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.809 3.632 38.240 1.00 0.00 H new ATOM 0 HG SER A 61 6.524 5.674 39.302 1.00 0.00 H new ATOM 957 N LYS A 62 4.798 3.090 41.907 1.00 0.00 N ATOM 958 CA LYS A 62 4.661 3.122 43.358 1.00 0.00 C ATOM 959 C LYS A 62 4.920 1.744 43.959 1.00 0.00 C ATOM 960 O LYS A 62 5.643 1.613 44.948 1.00 0.00 O ATOM 961 CB LYS A 62 3.263 3.606 43.748 1.00 0.00 C ATOM 962 CG LYS A 62 3.225 5.055 44.201 1.00 0.00 C ATOM 963 CD LYS A 62 1.802 5.585 44.259 1.00 0.00 C ATOM 964 CE LYS A 62 1.397 5.941 45.681 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.083 5.955 45.849 1.00 0.00 N ATOM 0 H LYS A 62 4.065 3.590 41.404 1.00 0.00 H new ATOM 0 HA LYS A 62 5.402 3.817 43.753 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.594 3.483 42.896 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.879 2.974 44.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.687 5.142 45.185 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.814 5.666 43.517 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.715 6.466 43.623 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.117 4.836 43.861 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.834 5.222 46.374 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.801 6.920 45.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.319 6.202 46.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.499 6.659 45.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.466 5.014 45.627 1.00 0.00 H new ATOM 979 N HIS A 63 4.327 0.719 43.356 1.00 0.00 N ATOM 980 CA HIS A 63 4.496 -0.649 43.831 1.00 0.00 C ATOM 981 C HIS A 63 5.964 -1.062 43.788 1.00 0.00 C ATOM 982 O HIS A 63 6.457 -1.733 44.695 1.00 0.00 O ATOM 983 CB HIS A 63 3.659 -1.611 42.987 1.00 0.00 C ATOM 984 CG HIS A 63 2.264 -1.128 42.734 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.354 -0.894 43.743 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.626 -0.832 41.578 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.215 -0.477 43.218 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.354 -0.431 41.905 1.00 0.00 N ATOM 0 H HIS A 63 3.725 0.810 42.537 1.00 0.00 H new ATOM 0 HA HIS A 63 4.155 -0.693 44.865 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.158 -1.771 42.031 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.615 -2.577 43.489 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.532 -1.023 44.739 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.040 -0.899 40.583 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.677 -0.218 43.769 1.00 0.00 H new ATOM 996 N PHE A 64 6.657 -0.657 42.729 1.00 0.00 N ATOM 997 CA PHE A 64 8.068 -0.986 42.568 1.00 0.00 C ATOM 998 C PHE A 64 8.912 -0.305 43.641 1.00 0.00 C ATOM 999 O PHE A 64 8.438 0.588 44.343 1.00 0.00 O ATOM 1000 CB PHE A 64 8.555 -0.569 41.179 1.00 0.00 C ATOM 1001 CG PHE A 64 8.245 -1.575 40.107 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.960 -1.697 39.604 1.00 0.00 C ATOM 1003 CD2 PHE A 64 9.239 -2.399 39.604 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.671 -2.621 38.618 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.956 -3.325 38.617 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.670 -3.437 38.125 1.00 0.00 C ATOM 0 H PHE A 64 6.264 -0.101 41.970 1.00 0.00 H new ATOM 0 HA PHE A 64 8.178 -2.065 42.676 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.098 0.385 40.914 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.632 -0.408 41.214 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.175 -1.062 39.987 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.245 -2.317 39.987 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.665 -2.705 38.233 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.740 -3.960 38.231 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.446 -4.162 37.356 1.00 0.00 H new ATOM 1016 N GLU A 65 10.165 -0.734 43.762 1.00 0.00 N ATOM 1017 CA GLU A 65 11.074 -0.166 44.750 1.00 0.00 C ATOM 1018 C GLU A 65 11.728 1.107 44.220 1.00 0.00 C ATOM 1019 O GLU A 65 12.312 1.879 44.979 1.00 0.00 O ATOM 1020 CB GLU A 65 12.150 -1.185 45.130 1.00 0.00 C ATOM 1021 CG GLU A 65 11.964 -1.778 46.517 1.00 0.00 C ATOM 1022 CD GLU A 65 13.235 -1.743 47.342 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.897 -0.684 47.369 1.00 0.00 O ATOM 1024 OE2 GLU A 65 13.568 -2.775 47.962 1.00 0.00 O ATOM 0 H GLU A 65 10.573 -1.472 43.188 1.00 0.00 H new ATOM 0 HA GLU A 65 10.493 0.087 45.637 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.150 -1.991 44.396 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.127 -0.706 45.077 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.181 -1.230 47.040 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.624 -2.809 46.424 1.00 0.00 H new ATOM 1031 N ALA A 66 11.626 1.317 42.912 1.00 0.00 N ATOM 1032 CA ALA A 66 12.205 2.495 42.279 1.00 0.00 C ATOM 1033 C ALA A 66 13.709 2.332 42.088 1.00 0.00 C ATOM 1034 O ALA A 66 14.345 3.119 41.388 1.00 0.00 O ATOM 1035 CB ALA A 66 11.908 3.737 43.106 1.00 0.00 C ATOM 0 H ALA A 66 11.147 0.686 42.270 1.00 0.00 H new ATOM 0 HA ALA A 66 11.750 2.609 41.295 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.346 4.610 42.622 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.829 3.871 43.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.335 3.622 44.102 1.00 0.00 H new ATOM 1041 N SER A 67 14.273 1.305 42.716 1.00 0.00 N ATOM 1042 CA SER A 67 15.704 1.041 42.618 1.00 0.00 C ATOM 1043 C SER A 67 16.034 0.310 41.320 1.00 0.00 C ATOM 1044 O SER A 67 17.194 -0.003 41.049 1.00 0.00 O ATOM 1045 CB SER A 67 16.174 0.214 43.816 1.00 0.00 C ATOM 1046 OG SER A 67 16.621 1.050 44.869 1.00 0.00 O ATOM 0 H SER A 67 13.761 0.642 43.298 1.00 0.00 H new ATOM 0 HA SER A 67 16.226 1.998 42.618 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.358 -0.416 44.169 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.981 -0.452 43.508 1.00 0.00 H new ATOM 0 HG SER A 67 16.914 0.497 45.623 1.00 0.00 H new ATOM 1052 N CYS A 68 15.007 0.042 40.522 1.00 0.00 N ATOM 1053 CA CYS A 68 15.186 -0.653 39.252 1.00 0.00 C ATOM 1054 C CYS A 68 15.144 0.328 38.085 1.00 0.00 C ATOM 1055 O CYS A 68 15.319 -0.058 36.929 1.00 0.00 O ATOM 1056 CB CYS A 68 14.107 -1.721 39.075 1.00 0.00 C ATOM 1057 SG CYS A 68 13.043 -1.943 40.519 1.00 0.00 S ATOM 0 H CYS A 68 14.041 0.295 40.732 1.00 0.00 H new ATOM 0 HA CYS A 68 16.164 -1.134 39.264 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.487 -1.457 38.218 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.587 -2.671 38.841 1.00 0.00 H new ATOM 0 HG CYS A 68 12.161 -2.866 40.271 1.00 0.00 H new ATOM 1063 N PHE A 69 14.910 1.599 38.395 1.00 0.00 N ATOM 1064 CA PHE A 69 14.842 2.636 37.372 1.00 0.00 C ATOM 1065 C PHE A 69 16.240 3.073 36.947 1.00 0.00 C ATOM 1066 O PHE A 69 17.242 2.572 37.459 1.00 0.00 O ATOM 1067 CB PHE A 69 14.054 3.841 37.889 1.00 0.00 C ATOM 1068 CG PHE A 69 12.582 3.579 38.030 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.125 2.501 38.770 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.655 4.412 37.424 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.770 2.257 38.901 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.299 4.173 37.551 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.857 3.095 38.292 1.00 0.00 C ATOM 0 H PHE A 69 14.764 1.936 39.347 1.00 0.00 H new ATOM 0 HA PHE A 69 14.330 2.221 36.503 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.456 4.140 38.857 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.202 4.680 37.210 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.835 1.844 39.250 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.996 5.258 36.846 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.426 1.412 39.479 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.587 4.828 37.071 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.798 2.907 38.395 1.00 0.00 H new ATOM 1083 N ASP A 70 16.301 4.009 36.006 1.00 0.00 N ATOM 1084 CA ASP A 70 17.576 4.515 35.511 1.00 0.00 C ATOM 1085 C ASP A 70 17.638 6.035 35.622 1.00 0.00 C ATOM 1086 O ASP A 70 17.352 6.751 34.662 1.00 0.00 O ATOM 1087 CB ASP A 70 17.789 4.088 34.058 1.00 0.00 C ATOM 1088 CG ASP A 70 19.093 3.342 33.859 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.609 2.774 34.844 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.598 3.325 32.717 1.00 0.00 O ATOM 0 H ASP A 70 15.482 4.433 35.571 1.00 0.00 H new ATOM 0 HA ASP A 70 18.370 4.092 36.126 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.960 3.454 33.743 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.777 4.970 33.418 1.00 0.00 H new ATOM 1095 N LEU A 71 18.012 6.522 36.800 1.00 0.00 N ATOM 1096 CA LEU A 71 18.110 7.958 37.038 1.00 0.00 C ATOM 1097 C LEU A 71 19.566 8.413 37.029 1.00 0.00 C ATOM 1098 O LEU A 71 20.130 8.707 35.974 1.00 0.00 O ATOM 1099 CB LEU A 71 17.460 8.320 38.375 1.00 0.00 C ATOM 1100 CG LEU A 71 17.437 7.214 39.431 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.217 7.803 40.815 1.00 0.00 C ATOM 1102 CD2 LEU A 71 16.359 6.190 39.107 1.00 0.00 C ATOM 0 H LEU A 71 18.252 5.944 37.605 1.00 0.00 H new ATOM 0 HA LEU A 71 17.582 8.471 36.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.985 9.180 38.790 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.434 8.634 38.184 1.00 0.00 H new ATOM 0 HG LEU A 71 18.403 6.709 39.423 1.00 0.00 H new ATOM 0 HD11 LEU A 71 17.203 7.001 41.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.025 8.497 41.048 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.265 8.333 40.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.357 5.410 39.869 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.386 6.680 39.087 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.561 5.745 38.133 1.00 0.00 H new ATOM 1114 N THR A 72 20.172 8.467 38.211 1.00 0.00 N ATOM 1115 CA THR A 72 21.562 8.884 38.339 1.00 0.00 C ATOM 1116 C THR A 72 21.889 10.012 37.367 1.00 0.00 C ATOM 1117 O THR A 72 22.990 10.074 36.821 1.00 0.00 O ATOM 1118 CB THR A 72 22.527 7.710 38.089 1.00 0.00 C ATOM 1119 OG1 THR A 72 23.882 8.151 38.226 1.00 0.00 O ATOM 1120 CG2 THR A 72 22.317 7.123 36.701 1.00 0.00 C ATOM 0 H THR A 72 19.721 8.227 39.094 1.00 0.00 H new ATOM 0 HA THR A 72 21.692 9.239 39.361 1.00 0.00 H new ATOM 0 HB THR A 72 22.321 6.936 38.829 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.069 8.846 37.561 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.010 6.295 36.547 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.293 6.761 36.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.498 7.892 35.950 1.00 0.00 H new ATOM 1128 N GLY A 73 20.926 10.903 37.155 1.00 0.00 N ATOM 1129 CA GLY A 73 21.132 12.017 36.248 1.00 0.00 C ATOM 1130 C GLY A 73 19.940 12.255 35.342 1.00 0.00 C ATOM 1131 O GLY A 73 19.189 13.211 35.534 1.00 0.00 O ATOM 0 H GLY A 73 20.006 10.873 37.595 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.331 12.920 36.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.015 11.827 35.639 1.00 0.00 H new ATOM 1135 N GLN A 74 19.769 11.386 34.352 1.00 0.00 N ATOM 1136 CA GLN A 74 18.662 11.508 33.411 1.00 0.00 C ATOM 1137 C GLN A 74 17.330 11.220 34.097 1.00 0.00 C ATOM 1138 O GLN A 74 17.270 11.056 35.316 1.00 0.00 O ATOM 1139 CB GLN A 74 18.859 10.554 32.232 1.00 0.00 C ATOM 1140 CG GLN A 74 18.035 9.281 32.335 1.00 0.00 C ATOM 1141 CD GLN A 74 18.623 8.138 31.531 1.00 0.00 C ATOM 1142 OE1 GLN A 74 18.087 7.755 30.491 1.00 0.00 O ATOM 1143 NE2 GLN A 74 19.732 7.587 32.010 1.00 0.00 N ATOM 0 H GLN A 74 20.383 10.590 34.180 1.00 0.00 H new ATOM 0 HA GLN A 74 18.645 12.533 33.040 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.598 11.072 31.309 1.00 0.00 H new ATOM 0 HB3 GLN A 74 19.914 10.289 32.162 1.00 0.00 H new ATOM 0 HG2 GLN A 74 17.962 8.984 33.381 1.00 0.00 H new ATOM 0 HG3 GLN A 74 17.021 9.480 31.988 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.142 7.936 32.876 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.174 6.814 31.512 1.00 0.00 H new ATOM 1152 N THR A 75 16.263 11.159 33.306 1.00 0.00 N ATOM 1153 CA THR A 75 14.933 10.892 33.837 1.00 0.00 C ATOM 1154 C THR A 75 14.865 9.513 34.484 1.00 0.00 C ATOM 1155 O THR A 75 15.797 8.717 34.368 1.00 0.00 O ATOM 1156 CB THR A 75 13.860 10.983 32.735 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.599 10.530 33.241 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.255 10.150 31.525 1.00 0.00 C ATOM 0 H THR A 75 16.295 11.291 32.295 1.00 0.00 H new ATOM 0 HA THR A 75 14.735 11.654 34.591 1.00 0.00 H new ATOM 0 HB THR A 75 13.775 12.025 32.427 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.922 10.592 32.535 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.482 10.230 30.760 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.201 10.515 31.125 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.365 9.107 31.822 1.00 0.00 H new ATOM 1166 N ARG A 76 13.757 9.237 35.164 1.00 0.00 N ATOM 1167 CA ARG A 76 13.569 7.954 35.830 1.00 0.00 C ATOM 1168 C ARG A 76 12.970 6.928 34.873 1.00 0.00 C ATOM 1169 O ARG A 76 11.757 6.897 34.660 1.00 0.00 O ATOM 1170 CB ARG A 76 12.664 8.117 37.052 1.00 0.00 C ATOM 1171 CG ARG A 76 13.370 7.855 38.372 1.00 0.00 C ATOM 1172 CD ARG A 76 13.844 9.148 39.017 1.00 0.00 C ATOM 1173 NE ARG A 76 12.983 9.556 40.123 1.00 0.00 N ATOM 1174 CZ ARG A 76 13.265 10.564 40.942 1.00 0.00 C ATOM 1175 NH1 ARG A 76 14.381 11.262 40.779 1.00 0.00 N ATOM 1176 NH2 ARG A 76 12.431 10.875 41.925 1.00 0.00 N ATOM 0 H ARG A 76 12.976 9.885 35.268 1.00 0.00 H new ATOM 0 HA ARG A 76 14.545 7.595 36.155 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.259 9.129 37.061 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.818 7.436 36.961 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.694 7.335 39.051 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.222 7.196 38.205 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.864 9.019 39.380 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.870 9.939 38.267 1.00 0.00 H new ATOM 0 HE ARG A 76 12.117 9.039 40.276 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.025 11.026 40.024 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.595 12.035 41.409 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.572 10.340 42.053 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.649 11.649 42.553 1.00 0.00 H new ATOM 1190 N ARG A 77 13.827 6.090 34.298 1.00 0.00 N ATOM 1191 CA ARG A 77 13.382 5.065 33.363 1.00 0.00 C ATOM 1192 C ARG A 77 13.434 3.682 34.006 1.00 0.00 C ATOM 1193 O ARG A 77 14.466 3.273 34.541 1.00 0.00 O ATOM 1194 CB ARG A 77 14.247 5.085 32.101 1.00 0.00 C ATOM 1195 CG ARG A 77 14.168 6.392 31.329 1.00 0.00 C ATOM 1196 CD ARG A 77 14.480 6.187 29.855 1.00 0.00 C ATOM 1197 NE ARG A 77 14.389 7.433 29.098 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.244 8.060 28.850 1.00 0.00 C ATOM 1199 NH1 ARG A 77 12.100 7.560 29.297 1.00 0.00 N ATOM 1200 NH2 ARG A 77 13.242 9.190 28.155 1.00 0.00 N ATOM 0 H ARG A 77 14.833 6.101 34.464 1.00 0.00 H new ATOM 0 HA ARG A 77 12.349 5.282 33.091 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.284 4.899 32.379 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.941 4.268 31.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.171 6.819 31.435 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.869 7.110 31.754 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.483 5.772 29.751 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.788 5.457 29.436 1.00 0.00 H new ATOM 0 HE ARG A 77 15.251 7.844 28.740 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.098 6.692 29.833 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.223 8.043 29.105 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.120 9.578 27.810 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.362 9.670 27.965 1.00 0.00 H new ATOM 1214 N LEU A 78 12.316 2.967 33.953 1.00 0.00 N ATOM 1215 CA LEU A 78 12.234 1.631 34.531 1.00 0.00 C ATOM 1216 C LEU A 78 13.002 0.622 33.683 1.00 0.00 C ATOM 1217 O LEU A 78 12.739 0.469 32.490 1.00 0.00 O ATOM 1218 CB LEU A 78 10.772 1.198 34.658 1.00 0.00 C ATOM 1219 CG LEU A 78 10.516 -0.071 35.473 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.343 -1.227 34.933 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.826 0.168 36.944 1.00 0.00 C ATOM 0 H LEU A 78 11.453 3.290 33.515 1.00 0.00 H new ATOM 0 HA LEU A 78 12.685 1.663 35.523 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.210 2.015 35.110 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.369 1.050 33.656 1.00 0.00 H new ATOM 0 HG LEU A 78 9.462 -0.332 35.383 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.148 -2.121 35.525 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.073 -1.414 33.894 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.402 -0.976 34.993 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.638 -0.745 37.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.872 0.454 37.054 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.190 0.967 37.325 1.00 0.00 H new ATOM 1233 N LYS A 79 13.952 -0.066 34.307 1.00 0.00 N ATOM 1234 CA LYS A 79 14.758 -1.063 33.612 1.00 0.00 C ATOM 1235 C LYS A 79 13.905 -2.257 33.196 1.00 0.00 C ATOM 1236 O LYS A 79 13.260 -2.892 34.030 1.00 0.00 O ATOM 1237 CB LYS A 79 15.909 -1.531 34.505 1.00 0.00 C ATOM 1238 CG LYS A 79 16.980 -0.476 34.720 1.00 0.00 C ATOM 1239 CD LYS A 79 17.928 -0.865 35.841 1.00 0.00 C ATOM 1240 CE LYS A 79 19.269 -0.159 35.707 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.841 -0.309 34.341 1.00 0.00 N ATOM 0 H LYS A 79 14.183 0.049 35.294 1.00 0.00 H new ATOM 0 HA LYS A 79 15.168 -0.601 32.714 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.508 -1.832 35.473 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.366 -2.415 34.061 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.544 -0.335 33.798 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.510 0.479 34.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.479 -0.615 36.802 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.081 -1.944 35.831 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.146 0.900 35.935 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.967 -0.564 36.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.878 -0.244 34.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.570 -1.234 33.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.475 0.446 33.727 1.00 0.00 H new ATOM 1255 N MET A 80 13.908 -2.558 31.901 1.00 0.00 N ATOM 1256 CA MET A 80 13.136 -3.678 31.376 1.00 0.00 C ATOM 1257 C MET A 80 13.462 -4.964 32.129 1.00 0.00 C ATOM 1258 O MET A 80 12.716 -5.941 32.060 1.00 0.00 O ATOM 1259 CB MET A 80 13.417 -3.863 29.883 1.00 0.00 C ATOM 1260 CG MET A 80 13.641 -2.556 29.140 1.00 0.00 C ATOM 1261 SD MET A 80 13.394 -2.716 27.361 1.00 0.00 S ATOM 1262 CE MET A 80 14.443 -4.122 26.999 1.00 0.00 C ATOM 0 H MET A 80 14.436 -2.042 31.197 1.00 0.00 H new ATOM 0 HA MET A 80 12.078 -3.455 31.515 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.297 -4.495 29.763 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.580 -4.392 29.427 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.960 -1.799 29.531 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.654 -2.203 29.332 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.596 -4.194 25.922 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.405 -3.995 27.495 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.967 -5.034 27.359 1.00 0.00 H new ATOM 1272 N ASP A 81 14.580 -4.957 32.847 1.00 0.00 N ATOM 1273 CA ASP A 81 15.004 -6.122 33.614 1.00 0.00 C ATOM 1274 C ASP A 81 14.560 -6.006 35.068 1.00 0.00 C ATOM 1275 O ASP A 81 15.134 -6.637 35.955 1.00 0.00 O ATOM 1276 CB ASP A 81 16.524 -6.281 33.542 1.00 0.00 C ATOM 1277 CG ASP A 81 16.953 -7.271 32.478 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.165 -7.511 31.539 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.077 -7.806 32.583 1.00 0.00 O ATOM 0 H ASP A 81 15.209 -4.157 32.914 1.00 0.00 H new ATOM 0 HA ASP A 81 14.534 -7.004 33.179 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.978 -5.312 33.337 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.898 -6.609 34.512 1.00 0.00 H new ATOM 1284 N ALA A 82 13.534 -5.195 35.306 1.00 0.00 N ATOM 1285 CA ALA A 82 13.013 -4.998 36.652 1.00 0.00 C ATOM 1286 C ALA A 82 11.627 -5.617 36.801 1.00 0.00 C ATOM 1287 O ALA A 82 10.808 -5.557 35.884 1.00 0.00 O ATOM 1288 CB ALA A 82 12.968 -3.514 36.989 1.00 0.00 C ATOM 0 H ALA A 82 13.048 -4.664 34.584 1.00 0.00 H new ATOM 0 HA ALA A 82 13.683 -5.499 37.351 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.577 -3.382 37.998 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.974 -3.097 36.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.321 -2.999 36.279 1.00 0.00 H new ATOM 1294 N VAL A 83 11.372 -6.214 37.961 1.00 0.00 N ATOM 1295 CA VAL A 83 10.085 -6.844 38.230 1.00 0.00 C ATOM 1296 C VAL A 83 9.471 -6.312 39.520 1.00 0.00 C ATOM 1297 O VAL A 83 10.169 -5.889 40.441 1.00 0.00 O ATOM 1298 CB VAL A 83 10.221 -8.375 38.333 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.701 -9.044 37.070 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.668 -8.765 38.594 1.00 0.00 C ATOM 0 H VAL A 83 12.040 -6.275 38.730 1.00 0.00 H new ATOM 0 HA VAL A 83 9.432 -6.599 37.392 1.00 0.00 H new ATOM 0 HB VAL A 83 9.618 -8.719 39.173 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.805 -10.125 37.162 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.650 -8.791 36.931 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.275 -8.696 36.211 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.745 -9.850 38.664 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.294 -8.408 37.776 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.003 -8.316 39.529 1.00 0.00 H new ATOM 1310 N PRO A 84 8.131 -6.332 39.589 1.00 0.00 N ATOM 1311 CA PRO A 84 7.392 -5.856 40.762 1.00 0.00 C ATOM 1312 C PRO A 84 7.567 -6.772 41.968 1.00 0.00 C ATOM 1313 O PRO A 84 6.750 -7.663 42.208 1.00 0.00 O ATOM 1314 CB PRO A 84 5.936 -5.863 40.291 1.00 0.00 C ATOM 1315 CG PRO A 84 5.894 -6.883 39.206 1.00 0.00 C ATOM 1316 CD PRO A 84 7.235 -6.822 38.528 1.00 0.00 C ATOM 0 HA PRO A 84 7.741 -4.879 41.095 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.258 -6.122 41.104 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.634 -4.882 39.924 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.707 -7.877 39.612 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.090 -6.670 38.501 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.545 -7.800 38.161 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.222 -6.149 37.671 1.00 0.00 H new ATOM 1324 N THR A 85 8.636 -6.548 42.727 1.00 0.00 N ATOM 1325 CA THR A 85 8.917 -7.354 43.908 1.00 0.00 C ATOM 1326 C THR A 85 8.072 -6.905 45.094 1.00 0.00 C ATOM 1327 O THR A 85 8.294 -7.337 46.226 1.00 0.00 O ATOM 1328 CB THR A 85 10.406 -7.282 44.296 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.794 -5.918 44.498 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.277 -7.907 43.217 1.00 0.00 C ATOM 0 H THR A 85 9.321 -5.815 42.544 1.00 0.00 H new ATOM 0 HA THR A 85 8.665 -8.384 43.655 1.00 0.00 H new ATOM 0 HB THR A 85 10.545 -7.840 45.222 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.741 -5.881 44.746 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.324 -7.844 43.513 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.999 -8.953 43.085 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.133 -7.372 42.278 1.00 0.00 H new ATOM 1338 N ILE A 86 7.102 -6.036 44.829 1.00 0.00 N ATOM 1339 CA ILE A 86 6.223 -5.530 45.875 1.00 0.00 C ATOM 1340 C ILE A 86 4.790 -5.398 45.372 1.00 0.00 C ATOM 1341 O ILE A 86 4.534 -4.756 44.354 1.00 0.00 O ATOM 1342 CB ILE A 86 6.700 -4.162 46.398 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.067 -3.813 45.807 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.760 -4.168 47.918 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.692 -2.578 46.416 1.00 0.00 C ATOM 0 H ILE A 86 6.905 -5.668 43.898 1.00 0.00 H new ATOM 0 HA ILE A 86 6.254 -6.252 46.691 1.00 0.00 H new ATOM 0 HB ILE A 86 5.985 -3.401 46.085 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.741 -4.658 45.948 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.962 -3.665 44.732 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.099 -3.195 48.273 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.769 -4.376 48.320 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.456 -4.938 48.252 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.659 -2.391 45.949 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.039 -1.721 46.252 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.830 -2.730 47.487 1.00 0.00 H new ATOM 1357 N PHE A 87 3.857 -6.010 46.095 1.00 0.00 N ATOM 1358 CA PHE A 87 2.447 -5.960 45.723 1.00 0.00 C ATOM 1359 C PHE A 87 1.562 -5.848 46.960 1.00 0.00 C ATOM 1360 O PHE A 87 0.348 -6.042 46.888 1.00 0.00 O ATOM 1361 CB PHE A 87 2.066 -7.205 44.920 1.00 0.00 C ATOM 1362 CG PHE A 87 1.934 -6.951 43.446 1.00 0.00 C ATOM 1363 CD1 PHE A 87 0.888 -6.187 42.952 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.855 -7.475 42.553 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.763 -5.952 41.596 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.736 -7.243 41.196 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.689 -6.479 40.717 1.00 0.00 C ATOM 0 H PHE A 87 4.052 -6.546 46.941 1.00 0.00 H new ATOM 0 HA PHE A 87 2.291 -5.076 45.105 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.819 -7.976 45.082 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.122 -7.597 45.299 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.162 -5.771 43.635 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.676 -8.072 42.922 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.058 -5.357 41.224 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.460 -7.658 40.511 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.595 -6.294 39.657 1.00 0.00 H new ATOM 1377 N ASP A 88 2.178 -5.535 48.095 1.00 0.00 N ATOM 1378 CA ASP A 88 1.447 -5.397 49.349 1.00 0.00 C ATOM 1379 C ASP A 88 2.262 -4.607 50.369 1.00 0.00 C ATOM 1380 O ASP A 88 3.428 -4.289 50.135 1.00 0.00 O ATOM 1381 CB ASP A 88 1.097 -6.774 49.915 1.00 0.00 C ATOM 1382 CG ASP A 88 -0.374 -7.107 49.758 1.00 0.00 C ATOM 1383 OD1 ASP A 88 -1.203 -6.473 50.445 1.00 0.00 O ATOM 1384 OD2 ASP A 88 -0.697 -8.001 48.948 1.00 0.00 O ATOM 0 H ASP A 88 3.182 -5.372 48.172 1.00 0.00 H new ATOM 0 HA ASP A 88 0.526 -4.852 49.145 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.694 -7.534 49.411 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.364 -6.808 50.971 1.00 0.00 H new ATOM 1389 N PHE A 89 1.640 -4.293 51.500 1.00 0.00 N ATOM 1390 CA PHE A 89 2.306 -3.538 52.555 1.00 0.00 C ATOM 1391 C PHE A 89 1.777 -3.939 53.929 1.00 0.00 C ATOM 1392 O PHE A 89 0.659 -4.440 54.053 1.00 0.00 O ATOM 1393 CB PHE A 89 2.109 -2.036 52.339 1.00 0.00 C ATOM 1394 CG PHE A 89 0.867 -1.700 51.565 1.00 0.00 C ATOM 1395 CD1 PHE A 89 -0.380 -1.769 52.166 1.00 0.00 C ATOM 1396 CD2 PHE A 89 0.946 -1.314 50.236 1.00 0.00 C ATOM 1397 CE1 PHE A 89 -1.524 -1.460 51.455 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -0.196 -1.004 49.521 1.00 0.00 C ATOM 1399 CZ PHE A 89 -1.432 -1.076 50.132 1.00 0.00 C ATOM 0 H PHE A 89 0.675 -4.550 51.710 1.00 0.00 H new ATOM 0 HA PHE A 89 3.371 -3.768 52.514 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.069 -1.540 53.309 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.975 -1.636 51.812 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.458 -2.067 53.201 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.910 -1.255 49.754 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.490 -1.519 51.934 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.121 -0.706 48.486 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.325 -0.832 49.576 1.00 0.00 H new ATOM 1409 N CYS A 90 2.589 -3.717 54.956 1.00 0.00 N ATOM 1410 CA CYS A 90 2.204 -4.057 56.322 1.00 0.00 C ATOM 1411 C CYS A 90 1.814 -5.528 56.427 1.00 0.00 C ATOM 1412 O CYS A 90 2.044 -6.310 55.504 1.00 0.00 O ATOM 1413 CB CYS A 90 1.041 -3.175 56.780 1.00 0.00 C ATOM 1414 SG CYS A 90 1.383 -2.225 58.280 1.00 0.00 S ATOM 0 H CYS A 90 3.517 -3.303 54.870 1.00 0.00 H new ATOM 0 HA CYS A 90 3.062 -3.880 56.970 1.00 0.00 H new ATOM 0 HB2 CYS A 90 0.784 -2.485 55.976 1.00 0.00 H new ATOM 0 HB3 CYS A 90 0.168 -3.804 56.952 1.00 0.00 H new ATOM 0 HG CYS A 90 0.342 -1.509 58.587 1.00 0.00 H new ATOM 1420 N THR A 91 1.225 -5.899 57.559 1.00 0.00 N ATOM 1421 CA THR A 91 0.806 -7.276 57.787 1.00 0.00 C ATOM 1422 C THR A 91 -0.314 -7.347 58.818 1.00 0.00 C ATOM 1423 O THR A 91 -0.370 -6.539 59.746 1.00 0.00 O ATOM 1424 CB THR A 91 1.982 -8.149 58.263 1.00 0.00 C ATOM 1425 OG1 THR A 91 1.512 -9.456 58.612 1.00 0.00 O ATOM 1426 CG2 THR A 91 2.675 -7.518 59.461 1.00 0.00 C ATOM 0 H THR A 91 1.027 -5.265 58.333 1.00 0.00 H new ATOM 0 HA THR A 91 0.442 -7.657 56.833 1.00 0.00 H new ATOM 0 HB THR A 91 2.701 -8.227 57.447 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.864 -10.111 57.974 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.502 -8.153 59.779 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.057 -6.536 59.184 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.963 -7.413 60.279 1.00 0.00 H new ATOM 1434 N HIS A 92 -1.206 -8.319 58.651 1.00 0.00 N ATOM 1435 CA HIS A 92 -2.325 -8.495 59.569 1.00 0.00 C ATOM 1436 C HIS A 92 -1.928 -9.381 60.746 1.00 0.00 C ATOM 1437 O HIS A 92 -1.660 -8.890 61.842 1.00 0.00 O ATOM 1438 CB HIS A 92 -3.521 -9.106 58.837 1.00 0.00 C ATOM 1439 CG HIS A 92 -4.387 -8.091 58.155 1.00 0.00 C ATOM 1440 ND1 HIS A 92 -4.823 -6.938 58.772 1.00 0.00 N ATOM 1441 CD2 HIS A 92 -4.898 -8.062 56.902 1.00 0.00 C ATOM 1442 CE1 HIS A 92 -5.565 -6.243 57.928 1.00 0.00 C ATOM 1443 NE2 HIS A 92 -5.626 -6.904 56.786 1.00 0.00 N ATOM 0 H HIS A 92 -1.175 -8.996 57.889 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.605 -7.514 59.953 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -3.158 -9.819 58.096 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.125 -9.667 59.550 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.759 -8.811 56.136 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.041 -5.296 58.136 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -6.132 -6.603 55.953 1.00 0.00 H new ATOM 1451 N ILE A 93 -1.894 -10.689 60.511 1.00 0.00 N ATOM 1452 CA ILE A 93 -1.529 -11.642 61.551 1.00 0.00 C ATOM 1453 C ILE A 93 -0.879 -12.885 60.954 1.00 0.00 C ATOM 1454 O ILE A 93 0.068 -13.435 61.517 1.00 0.00 O ATOM 1455 CB ILE A 93 -2.755 -12.066 62.381 1.00 0.00 C ATOM 1456 CG1 ILE A 93 -3.932 -12.396 61.461 1.00 0.00 C ATOM 1457 CG2 ILE A 93 -3.135 -10.968 63.363 1.00 0.00 C ATOM 1458 CD1 ILE A 93 -5.207 -12.727 62.205 1.00 0.00 C ATOM 0 H ILE A 93 -2.115 -11.112 59.610 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.815 -11.139 62.203 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.499 -12.961 62.948 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.116 -11.548 60.801 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.661 -13.240 60.827 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.003 -11.282 63.942 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.299 -10.777 64.036 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.375 -10.057 62.815 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.998 -12.950 61.489 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.041 -13.594 62.844 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.502 -11.875 62.818 1.00 0.00 H new ATOM 1470 N SER A 94 -1.393 -13.324 59.809 1.00 0.00 N ATOM 1471 CA SER A 94 -0.863 -14.504 59.136 1.00 0.00 C ATOM 1472 C SER A 94 0.662 -14.511 59.171 1.00 0.00 C ATOM 1473 O SER A 94 1.273 -15.259 59.932 1.00 0.00 O ATOM 1474 CB SER A 94 -1.352 -14.552 57.687 1.00 0.00 C ATOM 1475 OG SER A 94 -2.647 -15.120 57.604 1.00 0.00 O ATOM 0 H SER A 94 -2.176 -12.880 59.328 1.00 0.00 H new ATOM 0 HA SER A 94 -1.224 -15.387 59.664 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.366 -13.545 57.271 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.656 -15.136 57.084 1.00 0.00 H new ATOM 0 HG SER A 94 -2.937 -15.138 56.668 1.00 0.00 H new ATOM 1481 N GLY A 95 1.271 -13.671 58.339 1.00 0.00 N ATOM 1482 CA GLY A 95 2.719 -13.595 58.289 1.00 0.00 C ATOM 1483 C GLY A 95 3.212 -12.556 57.303 1.00 0.00 C ATOM 1484 O GLY A 95 2.429 -11.909 56.607 1.00 0.00 O ATOM 0 H GLY A 95 0.787 -13.042 57.699 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.102 -13.359 59.282 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.122 -14.570 58.016 1.00 0.00 H new ATOM 1488 N PRO A 96 4.540 -12.382 57.234 1.00 0.00 N ATOM 1489 CA PRO A 96 5.166 -11.414 56.329 1.00 0.00 C ATOM 1490 C PRO A 96 5.046 -11.825 54.866 1.00 0.00 C ATOM 1491 O PRO A 96 5.050 -13.013 54.543 1.00 0.00 O ATOM 1492 CB PRO A 96 6.633 -11.416 56.767 1.00 0.00 C ATOM 1493 CG PRO A 96 6.841 -12.755 57.387 1.00 0.00 C ATOM 1494 CD PRO A 96 5.533 -13.119 58.034 1.00 0.00 C ATOM 0 HA PRO A 96 4.691 -10.435 56.388 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.300 -11.265 55.918 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.835 -10.615 57.478 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.124 -13.493 56.636 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.645 -12.724 58.122 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.355 -14.194 58.004 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.506 -12.821 59.082 1.00 0.00 H new ATOM 1502 N SER A 97 4.941 -10.836 53.984 1.00 0.00 N ATOM 1503 CA SER A 97 4.816 -11.096 52.555 1.00 0.00 C ATOM 1504 C SER A 97 6.032 -11.855 52.033 1.00 0.00 C ATOM 1505 O SER A 97 6.939 -11.266 51.444 1.00 0.00 O ATOM 1506 CB SER A 97 4.652 -9.782 51.788 1.00 0.00 C ATOM 1507 OG SER A 97 4.948 -8.670 52.615 1.00 0.00 O ATOM 0 H SER A 97 4.940 -9.847 54.234 1.00 0.00 H new ATOM 0 HA SER A 97 3.930 -11.712 52.399 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.311 -9.779 50.920 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.631 -9.700 51.414 1.00 0.00 H new ATOM 0 HG SER A 97 4.838 -7.842 52.102 1.00 0.00 H new ATOM 1513 N SER A 98 6.043 -13.166 52.253 1.00 0.00 N ATOM 1514 CA SER A 98 7.149 -14.006 51.808 1.00 0.00 C ATOM 1515 C SER A 98 6.757 -14.811 50.573 1.00 0.00 C ATOM 1516 O SER A 98 5.627 -14.725 50.095 1.00 0.00 O ATOM 1517 CB SER A 98 7.583 -14.951 52.931 1.00 0.00 C ATOM 1518 OG SER A 98 8.717 -14.445 53.613 1.00 0.00 O ATOM 0 H SER A 98 5.299 -13.669 52.736 1.00 0.00 H new ATOM 0 HA SER A 98 7.984 -13.356 51.546 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.762 -15.086 53.635 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.812 -15.933 52.516 1.00 0.00 H new ATOM 0 HG SER A 98 8.974 -15.066 54.327 1.00 0.00 H new ATOM 1524 N GLY A 99 7.701 -15.596 50.062 1.00 0.00 N ATOM 1525 CA GLY A 99 7.437 -16.406 48.887 1.00 0.00 C ATOM 1526 C GLY A 99 8.476 -16.209 47.801 1.00 0.00 C ATOM 1527 O GLY A 99 9.654 -16.060 48.120 1.00 0.00 O ATOM 0 H GLY A 99 8.644 -15.685 50.441 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.410 -17.457 49.173 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.452 -16.158 48.492 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.410 0.369 40.583 1.00 0.00 ZN