USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) 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= -0.0171 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.942 USER MOD Single : A 13 THR OG1 : rot -158:sc= -1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0687) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.0416 (180deg=-0.286) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -1.17! (180deg=-1.44!) USER MOD Single : A 23 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -116:sc= -0.835 USER MOD Single : A 38 MET CE :methyl 149:sc= -0.211 (180deg=-1.4) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 130:sc= -0.131 USER MOD Single : A 53 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.74) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-4.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0812 X(o=-0.081,f=-0.00026) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.133 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.480 11.013 28.417 1.00 0.00 N ATOM 2 CA GLY A 1 -0.264 10.602 27.241 1.00 0.00 C ATOM 3 C GLY A 1 -0.493 11.744 26.271 1.00 0.00 C ATOM 4 O GLY A 1 -0.853 12.849 26.677 1.00 0.00 O ATOM 0 H1 GLY A 1 0.610 10.197 29.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.410 11.380 28.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.046 11.758 28.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.276 9.802 26.735 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.226 10.192 27.548 1.00 0.00 H new ATOM 8 N SER A 2 -0.283 11.478 24.986 1.00 0.00 N ATOM 9 CA SER A 2 -0.464 12.495 23.956 1.00 0.00 C ATOM 10 C SER A 2 -1.469 12.030 22.905 1.00 0.00 C ATOM 11 O SER A 2 -1.780 10.843 22.810 1.00 0.00 O ATOM 12 CB SER A 2 0.874 12.819 23.290 1.00 0.00 C ATOM 13 OG SER A 2 1.771 11.726 23.387 1.00 0.00 O ATOM 0 H SER A 2 0.012 10.568 24.633 1.00 0.00 H new ATOM 0 HA SER A 2 -0.852 13.395 24.432 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.711 13.067 22.241 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.315 13.698 23.761 1.00 0.00 H new ATOM 0 HG SER A 2 2.618 11.958 22.952 1.00 0.00 H new ATOM 19 N SER A 3 -1.973 12.976 22.119 1.00 0.00 N ATOM 20 CA SER A 3 -2.946 12.667 21.078 1.00 0.00 C ATOM 21 C SER A 3 -2.757 13.579 19.870 1.00 0.00 C ATOM 22 O SER A 3 -2.921 14.795 19.964 1.00 0.00 O ATOM 23 CB SER A 3 -4.369 12.808 21.621 1.00 0.00 C ATOM 24 OG SER A 3 -4.377 12.801 23.038 1.00 0.00 O ATOM 0 H SER A 3 -1.724 13.963 22.183 1.00 0.00 H new ATOM 0 HA SER A 3 -2.787 11.636 20.761 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.811 13.735 21.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.987 11.992 21.247 1.00 0.00 H new ATOM 0 HG SER A 3 -5.298 12.894 23.360 1.00 0.00 H new ATOM 30 N GLY A 4 -2.411 12.982 18.733 1.00 0.00 N ATOM 31 CA GLY A 4 -2.206 13.755 17.522 1.00 0.00 C ATOM 32 C GLY A 4 -1.771 12.895 16.352 1.00 0.00 C ATOM 33 O GLY A 4 -1.075 11.895 16.533 1.00 0.00 O ATOM 0 H GLY A 4 -2.269 11.977 18.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.130 14.273 17.265 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.452 14.520 17.706 1.00 0.00 H new ATOM 37 N SER A 5 -2.182 13.283 15.149 1.00 0.00 N ATOM 38 CA SER A 5 -1.835 12.536 13.946 1.00 0.00 C ATOM 39 C SER A 5 -1.496 13.483 12.798 1.00 0.00 C ATOM 40 O SER A 5 -2.381 14.103 12.209 1.00 0.00 O ATOM 41 CB SER A 5 -2.988 11.617 13.540 1.00 0.00 C ATOM 42 OG SER A 5 -3.478 10.891 14.654 1.00 0.00 O ATOM 0 H SER A 5 -2.755 14.110 14.982 1.00 0.00 H new ATOM 0 HA SER A 5 -0.957 11.929 14.166 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.793 12.209 13.105 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.651 10.923 12.770 1.00 0.00 H new ATOM 0 HG SER A 5 -4.215 10.312 14.369 1.00 0.00 H new ATOM 48 N SER A 6 -0.208 13.589 12.487 1.00 0.00 N ATOM 49 CA SER A 6 0.249 14.463 11.414 1.00 0.00 C ATOM 50 C SER A 6 0.216 13.738 10.072 1.00 0.00 C ATOM 51 O SER A 6 -0.548 14.098 9.177 1.00 0.00 O ATOM 52 CB SER A 6 1.667 14.962 11.702 1.00 0.00 C ATOM 53 OG SER A 6 2.497 13.905 12.151 1.00 0.00 O ATOM 0 H SER A 6 0.537 13.080 12.963 1.00 0.00 H new ATOM 0 HA SER A 6 -0.426 15.318 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.091 15.404 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.633 15.748 12.456 1.00 0.00 H new ATOM 0 HG SER A 6 3.398 14.248 12.327 1.00 0.00 H new ATOM 59 N GLY A 7 1.053 12.713 9.939 1.00 0.00 N ATOM 60 CA GLY A 7 1.105 11.952 8.705 1.00 0.00 C ATOM 61 C GLY A 7 0.330 10.652 8.791 1.00 0.00 C ATOM 62 O GLY A 7 -0.792 10.623 9.296 1.00 0.00 O ATOM 0 H GLY A 7 1.696 12.396 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.704 12.557 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.145 11.736 8.459 1.00 0.00 H new ATOM 66 N PHE A 8 0.929 9.574 8.296 1.00 0.00 N ATOM 67 CA PHE A 8 0.286 8.266 8.317 1.00 0.00 C ATOM 68 C PHE A 8 1.274 7.181 8.735 1.00 0.00 C ATOM 69 O PHE A 8 2.267 6.931 8.051 1.00 0.00 O ATOM 70 CB PHE A 8 -0.296 7.937 6.940 1.00 0.00 C ATOM 71 CG PHE A 8 -1.596 8.634 6.657 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.791 8.121 7.137 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.624 9.801 5.911 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.989 8.760 6.879 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.819 10.444 5.650 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.003 9.923 6.133 1.00 0.00 C ATOM 0 H PHE A 8 1.858 9.581 7.876 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.522 8.299 9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.429 8.211 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.447 6.860 6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.786 7.211 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.702 10.213 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.913 8.351 7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.827 11.354 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.938 10.423 5.928 1.00 0.00 H new ATOM 86 N THR A 9 0.996 6.539 9.866 1.00 0.00 N ATOM 87 CA THR A 9 1.860 5.483 10.378 1.00 0.00 C ATOM 88 C THR A 9 1.091 4.177 10.547 1.00 0.00 C ATOM 89 O THR A 9 -0.055 4.175 10.997 1.00 0.00 O ATOM 90 CB THR A 9 2.486 5.875 11.729 1.00 0.00 C ATOM 91 OG1 THR A 9 1.788 6.995 12.286 1.00 0.00 O ATOM 92 CG2 THR A 9 3.958 6.220 11.564 1.00 0.00 C ATOM 0 H THR A 9 0.179 6.733 10.445 1.00 0.00 H new ATOM 0 HA THR A 9 2.654 5.342 9.645 1.00 0.00 H new ATOM 0 HB THR A 9 2.402 5.023 12.404 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.191 7.237 13.146 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.378 6.494 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.492 5.356 11.168 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.060 7.058 10.874 1.00 0.00 H new ATOM 100 N CYS A 10 1.728 3.070 10.184 1.00 0.00 N ATOM 101 CA CYS A 10 1.103 1.757 10.295 1.00 0.00 C ATOM 102 C CYS A 10 1.276 1.190 11.701 1.00 0.00 C ATOM 103 O CYS A 10 2.375 1.162 12.255 1.00 0.00 O ATOM 104 CB CYS A 10 1.702 0.795 9.267 1.00 0.00 C ATOM 105 SG CYS A 10 0.744 -0.720 9.028 1.00 0.00 S ATOM 0 H CYS A 10 2.677 3.055 9.810 1.00 0.00 H new ATOM 0 HA CYS A 10 0.037 1.871 10.097 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.790 1.311 8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.711 0.528 9.580 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.496 -0.415 8.784 1.00 0.00 H new ATOM 111 N PRO A 11 0.165 0.728 12.293 1.00 0.00 N ATOM 112 CA PRO A 11 0.168 0.155 13.643 1.00 0.00 C ATOM 113 C PRO A 11 0.876 -1.195 13.698 1.00 0.00 C ATOM 114 O PRO A 11 1.198 -1.693 14.776 1.00 0.00 O ATOM 115 CB PRO A 11 -1.320 -0.009 13.961 1.00 0.00 C ATOM 116 CG PRO A 11 -1.982 -0.127 12.632 1.00 0.00 C ATOM 117 CD PRO A 11 -1.179 0.730 11.692 1.00 0.00 C ATOM 0 HA PRO A 11 0.703 0.786 14.353 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.499 -0.894 14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.702 0.846 14.519 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.000 -1.164 12.296 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.017 0.211 12.680 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.169 0.319 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.586 1.739 11.621 1.00 0.00 H new ATOM 125 N ILE A 12 1.115 -1.780 12.529 1.00 0.00 N ATOM 126 CA ILE A 12 1.787 -3.071 12.445 1.00 0.00 C ATOM 127 C ILE A 12 3.284 -2.898 12.216 1.00 0.00 C ATOM 128 O ILE A 12 4.101 -3.273 13.058 1.00 0.00 O ATOM 129 CB ILE A 12 1.202 -3.937 11.314 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.305 -4.116 11.506 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.900 -5.289 11.267 1.00 0.00 C ATOM 132 CD1 ILE A 12 -1.007 -4.680 10.291 1.00 0.00 C ATOM 0 H ILE A 12 0.853 -1.381 11.628 1.00 0.00 H new ATOM 0 HA ILE A 12 1.624 -3.574 13.398 1.00 0.00 H new ATOM 0 HB ILE A 12 1.370 -3.430 10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.479 -4.777 12.355 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.748 -3.152 11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.476 -5.890 10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.965 -5.143 11.087 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.760 -5.804 12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.072 -4.780 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.864 -4.009 9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.591 -5.659 10.052 1.00 0.00 H new ATOM 144 N THR A 13 3.639 -2.324 11.070 1.00 0.00 N ATOM 145 CA THR A 13 5.038 -2.100 10.729 1.00 0.00 C ATOM 146 C THR A 13 5.646 -1.001 11.593 1.00 0.00 C ATOM 147 O THR A 13 6.864 -0.927 11.757 1.00 0.00 O ATOM 148 CB THR A 13 5.201 -1.719 9.245 1.00 0.00 C ATOM 149 OG1 THR A 13 4.738 -0.382 9.029 1.00 0.00 O ATOM 150 CG2 THR A 13 4.429 -2.679 8.353 1.00 0.00 C ATOM 0 H THR A 13 2.976 -2.006 10.363 1.00 0.00 H new ATOM 0 HA THR A 13 5.562 -3.037 10.916 1.00 0.00 H new ATOM 0 HB THR A 13 6.259 -1.782 8.990 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.509 -0.264 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.559 -2.391 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.804 -3.692 8.499 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.370 -2.643 8.610 1.00 0.00 H new ATOM 158 N LYS A 14 4.790 -0.148 12.146 1.00 0.00 N ATOM 159 CA LYS A 14 5.241 0.947 12.996 1.00 0.00 C ATOM 160 C LYS A 14 6.105 1.926 12.209 1.00 0.00 C ATOM 161 O LYS A 14 7.131 2.395 12.700 1.00 0.00 O ATOM 162 CB LYS A 14 6.028 0.402 14.190 1.00 0.00 C ATOM 163 CG LYS A 14 5.339 -0.752 14.897 1.00 0.00 C ATOM 164 CD LYS A 14 4.039 -0.311 15.549 1.00 0.00 C ATOM 165 CE LYS A 14 4.289 0.367 16.888 1.00 0.00 C ATOM 166 NZ LYS A 14 3.809 -0.462 18.028 1.00 0.00 N ATOM 0 H LYS A 14 3.779 -0.194 12.020 1.00 0.00 H new ATOM 0 HA LYS A 14 4.361 1.477 13.360 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.010 0.074 13.848 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.193 1.209 14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.136 -1.549 14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.005 -1.165 15.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.512 0.375 14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.391 -1.176 15.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.355 0.560 17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.786 1.334 16.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.998 0.035 18.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.786 -0.626 17.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.307 -1.375 18.027 1.00 0.00 H new ATOM 180 N GLU A 15 5.682 2.231 10.986 1.00 0.00 N ATOM 181 CA GLU A 15 6.418 3.156 10.132 1.00 0.00 C ATOM 182 C GLU A 15 5.476 3.881 9.175 1.00 0.00 C ATOM 183 O GLU A 15 4.263 3.673 9.207 1.00 0.00 O ATOM 184 CB GLU A 15 7.492 2.408 9.339 1.00 0.00 C ATOM 185 CG GLU A 15 6.927 1.442 8.311 1.00 0.00 C ATOM 186 CD GLU A 15 7.534 1.634 6.934 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.755 1.879 6.853 1.00 0.00 O ATOM 188 OE2 GLU A 15 6.786 1.539 5.938 1.00 0.00 O ATOM 0 H GLU A 15 4.834 1.851 10.565 1.00 0.00 H new ATOM 0 HA GLU A 15 6.898 3.897 10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.129 3.133 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.126 1.857 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.105 0.419 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.847 1.574 8.249 1.00 0.00 H new ATOM 195 N GLU A 16 6.043 4.732 8.326 1.00 0.00 N ATOM 196 CA GLU A 16 5.254 5.488 7.362 1.00 0.00 C ATOM 197 C GLU A 16 4.552 4.554 6.380 1.00 0.00 C ATOM 198 O GLU A 16 5.071 3.490 6.042 1.00 0.00 O ATOM 199 CB GLU A 16 6.145 6.471 6.599 1.00 0.00 C ATOM 200 CG GLU A 16 5.409 7.709 6.113 1.00 0.00 C ATOM 201 CD GLU A 16 6.252 8.965 6.212 1.00 0.00 C ATOM 202 OE1 GLU A 16 7.260 9.062 5.481 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.903 9.851 7.019 1.00 0.00 O ATOM 0 H GLU A 16 7.046 4.915 8.287 1.00 0.00 H new ATOM 0 HA GLU A 16 4.496 6.046 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.968 6.778 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.585 5.960 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.103 7.562 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.499 7.840 6.699 1.00 0.00 H new ATOM 210 N MET A 17 3.370 4.959 5.928 1.00 0.00 N ATOM 211 CA MET A 17 2.598 4.159 4.985 1.00 0.00 C ATOM 212 C MET A 17 2.628 4.779 3.592 1.00 0.00 C ATOM 213 O MET A 17 2.589 6.001 3.445 1.00 0.00 O ATOM 214 CB MET A 17 1.151 4.023 5.464 1.00 0.00 C ATOM 215 CG MET A 17 1.028 3.499 6.886 1.00 0.00 C ATOM 216 SD MET A 17 -0.462 2.516 7.138 1.00 0.00 S ATOM 217 CE MET A 17 -1.731 3.715 6.734 1.00 0.00 C ATOM 0 H MET A 17 2.926 5.836 6.199 1.00 0.00 H new ATOM 0 HA MET A 17 3.051 3.169 4.932 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.663 4.996 5.400 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.616 3.353 4.791 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.903 2.893 7.123 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.026 4.340 7.580 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.711 3.304 6.978 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.567 4.626 7.309 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.689 3.945 5.669 1.00 0.00 H new ATOM 227 N LYS A 18 2.699 3.930 2.573 1.00 0.00 N ATOM 228 CA LYS A 18 2.734 4.395 1.191 1.00 0.00 C ATOM 229 C LYS A 18 1.529 3.876 0.412 1.00 0.00 C ATOM 230 O LYS A 18 1.037 4.536 -0.503 1.00 0.00 O ATOM 231 CB LYS A 18 4.028 3.941 0.512 1.00 0.00 C ATOM 232 CG LYS A 18 5.284 4.355 1.258 1.00 0.00 C ATOM 233 CD LYS A 18 5.650 5.802 0.975 1.00 0.00 C ATOM 234 CE LYS A 18 6.346 5.948 -0.370 1.00 0.00 C ATOM 235 NZ LYS A 18 7.703 5.334 -0.361 1.00 0.00 N ATOM 0 H LYS A 18 2.733 2.916 2.678 1.00 0.00 H new ATOM 0 HA LYS A 18 2.698 5.484 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.015 2.856 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.063 4.352 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.133 4.220 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.111 3.706 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.749 6.416 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.301 6.175 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.740 5.479 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.427 7.005 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.263 5.718 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.177 5.552 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.618 4.303 -0.467 1.00 0.00 H new ATOM 249 N LYS A 19 1.058 2.690 0.782 1.00 0.00 N ATOM 250 CA LYS A 19 -0.091 2.082 0.120 1.00 0.00 C ATOM 251 C LYS A 19 -1.189 1.756 1.127 1.00 0.00 C ATOM 252 O LYS A 19 -1.310 0.628 1.606 1.00 0.00 O ATOM 253 CB LYS A 19 0.333 0.811 -0.618 1.00 0.00 C ATOM 254 CG LYS A 19 0.951 1.075 -1.980 1.00 0.00 C ATOM 255 CD LYS A 19 2.417 0.678 -2.014 1.00 0.00 C ATOM 256 CE LYS A 19 2.920 0.523 -3.441 1.00 0.00 C ATOM 257 NZ LYS A 19 4.373 0.829 -3.553 1.00 0.00 N ATOM 0 H LYS A 19 1.454 2.130 1.537 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.485 2.799 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.049 0.266 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.537 0.166 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.405 0.519 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.854 2.132 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.011 1.432 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.554 -0.260 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.736 -0.496 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.357 1.186 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.677 0.712 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.546 1.809 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.912 0.180 -2.945 1.00 0.00 H new ATOM 271 N PRO A 20 -2.010 2.764 1.456 1.00 0.00 N ATOM 272 CA PRO A 20 -3.114 2.608 2.407 1.00 0.00 C ATOM 273 C PRO A 20 -4.240 1.742 1.852 1.00 0.00 C ATOM 274 O PRO A 20 -4.749 1.994 0.760 1.00 0.00 O ATOM 275 CB PRO A 20 -3.601 4.043 2.625 1.00 0.00 C ATOM 276 CG PRO A 20 -3.208 4.769 1.385 1.00 0.00 C ATOM 277 CD PRO A 20 -1.925 4.135 0.923 1.00 0.00 C ATOM 0 HA PRO A 20 -2.796 2.108 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.680 4.076 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.140 4.488 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.982 4.685 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.069 5.832 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.843 4.139 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.054 4.663 1.310 1.00 0.00 H new ATOM 285 N VAL A 21 -4.625 0.721 2.611 1.00 0.00 N ATOM 286 CA VAL A 21 -5.692 -0.181 2.195 1.00 0.00 C ATOM 287 C VAL A 21 -6.834 -0.184 3.205 1.00 0.00 C ATOM 288 O VAL A 21 -6.630 -0.449 4.390 1.00 0.00 O ATOM 289 CB VAL A 21 -5.173 -1.621 2.019 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.220 -1.704 0.837 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.498 -2.103 3.294 1.00 0.00 C ATOM 0 H VAL A 21 -4.214 0.498 3.517 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.060 0.185 1.236 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.023 -2.273 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.864 -2.728 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.741 -1.402 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.372 -1.041 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.137 -3.122 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.658 -1.450 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.215 -2.083 4.115 1.00 0.00 H new ATOM 301 N LYS A 22 -8.039 0.112 2.729 1.00 0.00 N ATOM 302 CA LYS A 22 -9.216 0.142 3.588 1.00 0.00 C ATOM 303 C LYS A 22 -9.967 -1.185 3.530 1.00 0.00 C ATOM 304 O LYS A 22 -10.013 -1.836 2.487 1.00 0.00 O ATOM 305 CB LYS A 22 -10.146 1.285 3.175 1.00 0.00 C ATOM 306 CG LYS A 22 -11.227 1.589 4.197 1.00 0.00 C ATOM 307 CD LYS A 22 -12.436 2.245 3.551 1.00 0.00 C ATOM 308 CE LYS A 22 -13.193 1.268 2.664 1.00 0.00 C ATOM 309 NZ LYS A 22 -13.678 1.915 1.414 1.00 0.00 N ATOM 0 H LYS A 22 -8.226 0.335 1.751 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.882 0.306 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.552 2.184 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.617 1.034 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.533 0.666 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.825 2.245 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.102 2.626 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.114 3.101 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.544 0.430 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.041 0.860 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.379 1.300 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.117 2.829 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.877 2.069 0.769 1.00 0.00 H new ATOM 323 N ASN A 23 -10.554 -1.577 4.656 1.00 0.00 N ATOM 324 CA ASN A 23 -11.303 -2.826 4.731 1.00 0.00 C ATOM 325 C ASN A 23 -12.787 -2.587 4.464 1.00 0.00 C ATOM 326 O ASN A 23 -13.294 -1.483 4.660 1.00 0.00 O ATOM 327 CB ASN A 23 -11.119 -3.474 6.105 1.00 0.00 C ATOM 328 CG ASN A 23 -10.973 -4.980 6.019 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.395 -5.506 5.068 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.499 -5.683 7.016 1.00 0.00 N ATOM 0 H ASN A 23 -10.526 -1.049 5.528 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.917 -3.499 3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.236 -3.053 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.974 -3.230 6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.432 -6.701 7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.969 -5.205 7.784 1.00 0.00 H new ATOM 337 N LYS A 24 -13.477 -3.631 4.016 1.00 0.00 N ATOM 338 CA LYS A 24 -14.902 -3.537 3.723 1.00 0.00 C ATOM 339 C LYS A 24 -15.734 -3.925 4.941 1.00 0.00 C ATOM 340 O LYS A 24 -16.884 -3.506 5.080 1.00 0.00 O ATOM 341 CB LYS A 24 -15.261 -4.437 2.539 1.00 0.00 C ATOM 342 CG LYS A 24 -14.288 -4.331 1.377 1.00 0.00 C ATOM 343 CD LYS A 24 -15.017 -4.229 0.048 1.00 0.00 C ATOM 344 CE LYS A 24 -15.618 -5.564 -0.362 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.316 -5.479 -1.675 1.00 0.00 N ATOM 0 H LYS A 24 -13.072 -4.552 3.848 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.127 -2.502 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.297 -5.472 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.261 -4.181 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.652 -3.456 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.634 -5.203 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.806 -3.481 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.325 -3.888 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.830 -6.315 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.321 -5.896 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.712 -6.409 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.084 -4.781 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.640 -5.187 -2.409 1.00 0.00 H new ATOM 359 N VAL A 25 -15.146 -4.727 5.823 1.00 0.00 N ATOM 360 CA VAL A 25 -15.833 -5.170 7.031 1.00 0.00 C ATOM 361 C VAL A 25 -15.844 -4.073 8.090 1.00 0.00 C ATOM 362 O VAL A 25 -16.899 -3.544 8.440 1.00 0.00 O ATOM 363 CB VAL A 25 -15.174 -6.431 7.621 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.014 -6.990 8.758 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.962 -7.478 6.538 1.00 0.00 C ATOM 0 H VAL A 25 -14.195 -5.083 5.724 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.858 -5.405 6.744 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.199 -6.156 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.533 -7.880 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.108 -6.240 9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.004 -7.251 8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.495 -8.362 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.923 -7.752 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.315 -7.072 5.761 1.00 0.00 H new ATOM 375 N CYS A 26 -14.663 -3.735 8.596 1.00 0.00 N ATOM 376 CA CYS A 26 -14.535 -2.700 9.616 1.00 0.00 C ATOM 377 C CYS A 26 -14.473 -1.315 8.979 1.00 0.00 C ATOM 378 O CYS A 26 -15.328 -0.466 9.229 1.00 0.00 O ATOM 379 CB CYS A 26 -13.285 -2.942 10.463 1.00 0.00 C ATOM 380 SG CYS A 26 -12.923 -1.609 11.651 1.00 0.00 S ATOM 0 H CYS A 26 -13.780 -4.163 8.317 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.414 -2.746 10.258 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.404 -3.878 11.009 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.428 -3.066 9.800 1.00 0.00 H new ATOM 385 N GLY A 27 -13.453 -1.093 8.155 1.00 0.00 N ATOM 386 CA GLY A 27 -13.297 0.190 7.496 1.00 0.00 C ATOM 387 C GLY A 27 -11.945 0.820 7.766 1.00 0.00 C ATOM 388 O GLY A 27 -11.539 1.755 7.075 1.00 0.00 O ATOM 0 H GLY A 27 -12.732 -1.779 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.426 0.061 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.083 0.866 7.833 1.00 0.00 H new ATOM 392 N HIS A 28 -11.247 0.309 8.775 1.00 0.00 N ATOM 393 CA HIS A 28 -9.933 0.829 9.135 1.00 0.00 C ATOM 394 C HIS A 28 -8.998 0.826 7.930 1.00 0.00 C ATOM 395 O HIS A 28 -9.344 0.318 6.863 1.00 0.00 O ATOM 396 CB HIS A 28 -9.326 0.000 10.268 1.00 0.00 C ATOM 397 CG HIS A 28 -9.588 0.564 11.630 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.895 -0.219 12.723 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.586 1.843 12.074 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.072 0.554 13.780 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.890 1.810 13.413 1.00 0.00 N ATOM 0 H HIS A 28 -11.569 -0.464 9.357 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.057 1.858 9.473 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.726 -1.013 10.220 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.249 -0.075 10.116 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.383 2.725 11.485 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.323 0.216 14.775 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.963 2.623 14.025 1.00 0.00 H new ATOM 409 N THR A 29 -7.810 1.398 8.106 1.00 0.00 N ATOM 410 CA THR A 29 -6.826 1.463 7.033 1.00 0.00 C ATOM 411 C THR A 29 -5.456 1.001 7.515 1.00 0.00 C ATOM 412 O THR A 29 -5.049 1.298 8.639 1.00 0.00 O ATOM 413 CB THR A 29 -6.705 2.891 6.468 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.685 3.742 7.073 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.887 2.893 4.958 1.00 0.00 C ATOM 0 H THR A 29 -7.507 1.823 8.982 1.00 0.00 H new ATOM 0 HA THR A 29 -7.174 0.796 6.244 1.00 0.00 H new ATOM 0 HB THR A 29 -5.708 3.266 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.600 4.648 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.797 3.912 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.121 2.268 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.873 2.500 4.710 1.00 0.00 H new ATOM 423 N TYR A 30 -4.748 0.273 6.659 1.00 0.00 N ATOM 424 CA TYR A 30 -3.422 -0.231 6.998 1.00 0.00 C ATOM 425 C TYR A 30 -2.497 -0.193 5.786 1.00 0.00 C ATOM 426 O TYR A 30 -2.911 0.181 4.688 1.00 0.00 O ATOM 427 CB TYR A 30 -3.520 -1.661 7.534 1.00 0.00 C ATOM 428 CG TYR A 30 -4.736 -1.902 8.399 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.806 -1.392 9.690 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.814 -2.640 7.927 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.915 -1.610 10.485 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.928 -2.861 8.714 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.973 -2.345 9.992 1.00 0.00 C ATOM 434 OH TYR A 30 -8.080 -2.565 10.780 1.00 0.00 O ATOM 0 H TYR A 30 -5.070 0.019 5.725 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.003 0.413 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.540 -2.354 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.623 -1.886 8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.980 -0.815 10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.781 -3.048 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.953 -1.207 11.486 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.759 -3.435 8.330 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.172 -3.525 10.955 1.00 0.00 H new ATOM 444 N GLU A 31 -1.243 -0.582 5.993 1.00 0.00 N ATOM 445 CA GLU A 31 -0.259 -0.591 4.917 1.00 0.00 C ATOM 446 C GLU A 31 -0.346 -1.885 4.112 1.00 0.00 C ATOM 447 O GLU A 31 -0.649 -2.947 4.656 1.00 0.00 O ATOM 448 CB GLU A 31 1.152 -0.425 5.485 1.00 0.00 C ATOM 449 CG GLU A 31 2.251 -0.675 4.467 1.00 0.00 C ATOM 450 CD GLU A 31 3.488 0.164 4.725 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.890 0.280 5.902 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.053 0.705 3.752 1.00 0.00 O ATOM 0 H GLU A 31 -0.885 -0.895 6.895 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.476 0.246 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.258 0.585 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.281 -1.111 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.523 -1.730 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.872 -0.459 3.468 1.00 0.00 H new ATOM 459 N GLU A 32 -0.078 -1.786 2.814 1.00 0.00 N ATOM 460 CA GLU A 32 -0.127 -2.948 1.934 1.00 0.00 C ATOM 461 C GLU A 32 0.762 -4.070 2.463 1.00 0.00 C ATOM 462 O GLU A 32 0.272 -5.116 2.890 1.00 0.00 O ATOM 463 CB GLU A 32 0.308 -2.562 0.519 1.00 0.00 C ATOM 464 CG GLU A 32 -0.152 -3.542 -0.548 1.00 0.00 C ATOM 465 CD GLU A 32 0.214 -3.093 -1.949 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.354 -3.365 -2.381 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.640 -2.470 -2.614 1.00 0.00 O ATOM 0 H GLU A 32 0.175 -0.914 2.349 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.156 -3.307 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.084 -1.572 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.395 -2.489 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.293 -4.518 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.233 -3.666 -0.481 1.00 0.00 H new ATOM 474 N ASP A 33 2.071 -3.843 2.432 1.00 0.00 N ATOM 475 CA ASP A 33 3.029 -4.834 2.909 1.00 0.00 C ATOM 476 C ASP A 33 2.656 -5.324 4.305 1.00 0.00 C ATOM 477 O ASP A 33 2.935 -6.466 4.668 1.00 0.00 O ATOM 478 CB ASP A 33 4.440 -4.244 2.923 1.00 0.00 C ATOM 479 CG ASP A 33 5.022 -4.103 1.530 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.854 -5.038 0.720 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.648 -3.058 1.251 1.00 0.00 O ATOM 0 H ASP A 33 2.492 -2.983 2.082 1.00 0.00 H new ATOM 0 HA ASP A 33 3.005 -5.684 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.417 -3.267 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.091 -4.880 3.523 1.00 0.00 H new ATOM 486 N ALA A 34 2.023 -4.451 5.083 1.00 0.00 N ATOM 487 CA ALA A 34 1.611 -4.795 6.438 1.00 0.00 C ATOM 488 C ALA A 34 0.485 -5.824 6.425 1.00 0.00 C ATOM 489 O ALA A 34 0.642 -6.936 6.930 1.00 0.00 O ATOM 490 CB ALA A 34 1.178 -3.546 7.191 1.00 0.00 C ATOM 0 H ALA A 34 1.785 -3.501 4.798 1.00 0.00 H new ATOM 0 HA ALA A 34 2.466 -5.237 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.873 -3.818 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.010 -2.844 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.340 -3.080 6.672 1.00 0.00 H new ATOM 496 N ILE A 35 -0.649 -5.446 5.845 1.00 0.00 N ATOM 497 CA ILE A 35 -1.800 -6.336 5.766 1.00 0.00 C ATOM 498 C ILE A 35 -1.484 -7.571 4.930 1.00 0.00 C ATOM 499 O ILE A 35 -2.151 -8.599 5.044 1.00 0.00 O ATOM 500 CB ILE A 35 -3.024 -5.622 5.163 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.276 -6.487 5.322 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.779 -5.298 3.697 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.640 -6.764 6.763 1.00 0.00 C ATOM 0 H ILE A 35 -0.795 -4.529 5.423 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.033 -6.640 6.786 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.182 -4.687 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.115 -5.991 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.121 -7.435 4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.653 -4.794 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.909 -4.647 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.599 -6.221 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.537 -7.382 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.818 -7.288 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.828 -5.822 7.278 1.00 0.00 H new ATOM 515 N VAL A 36 -0.459 -7.464 4.090 1.00 0.00 N ATOM 516 CA VAL A 36 -0.051 -8.573 3.236 1.00 0.00 C ATOM 517 C VAL A 36 0.886 -9.521 3.976 1.00 0.00 C ATOM 518 O VAL A 36 0.798 -10.740 3.826 1.00 0.00 O ATOM 519 CB VAL A 36 0.649 -8.071 1.959 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.246 -9.235 1.184 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.324 -7.286 1.092 1.00 0.00 C ATOM 0 H VAL A 36 0.104 -6.620 3.983 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.959 -9.108 2.957 1.00 0.00 H new ATOM 0 HB VAL A 36 1.461 -7.405 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.736 -8.861 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.976 -9.751 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.454 -9.929 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.187 -6.939 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.159 -7.928 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.699 -6.428 1.651 1.00 0.00 H new ATOM 531 N ARG A 37 1.782 -8.953 4.777 1.00 0.00 N ATOM 532 CA ARG A 37 2.736 -9.747 5.541 1.00 0.00 C ATOM 533 C ARG A 37 2.088 -10.310 6.802 1.00 0.00 C ATOM 534 O ARG A 37 2.518 -11.336 7.328 1.00 0.00 O ATOM 535 CB ARG A 37 3.954 -8.900 5.915 1.00 0.00 C ATOM 536 CG ARG A 37 3.703 -7.953 7.077 1.00 0.00 C ATOM 537 CD ARG A 37 4.944 -7.140 7.410 1.00 0.00 C ATOM 538 NE ARG A 37 6.017 -7.974 7.945 1.00 0.00 N ATOM 539 CZ ARG A 37 5.989 -8.522 9.155 1.00 0.00 C ATOM 540 NH1 ARG A 37 4.946 -8.326 9.950 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.004 -9.269 9.570 1.00 0.00 N ATOM 0 H ARG A 37 1.867 -7.946 4.913 1.00 0.00 H new ATOM 0 HA ARG A 37 3.059 -10.580 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.782 -9.562 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.264 -8.321 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.882 -7.281 6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.394 -8.524 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.295 -6.630 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.688 -6.369 8.136 1.00 0.00 H new ATOM 0 HE ARG A 37 6.833 -8.145 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.163 -7.754 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.926 -8.748 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.807 -9.423 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.982 -9.689 10.499 1.00 0.00 H new ATOM 555 N MET A 38 1.052 -9.630 7.283 1.00 0.00 N ATOM 556 CA MET A 38 0.344 -10.063 8.482 1.00 0.00 C ATOM 557 C MET A 38 -0.540 -11.270 8.186 1.00 0.00 C ATOM 558 O MET A 38 -0.382 -12.331 8.791 1.00 0.00 O ATOM 559 CB MET A 38 -0.504 -8.919 9.041 1.00 0.00 C ATOM 560 CG MET A 38 -1.356 -9.321 10.234 1.00 0.00 C ATOM 561 SD MET A 38 -1.531 -7.992 11.441 1.00 0.00 S ATOM 562 CE MET A 38 -3.289 -7.665 11.331 1.00 0.00 C ATOM 0 H MET A 38 0.684 -8.777 6.861 1.00 0.00 H new ATOM 0 HA MET A 38 1.086 -10.353 9.226 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.153 -8.100 9.334 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.154 -8.540 8.252 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.344 -9.622 9.885 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.910 -10.190 10.718 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.657 -7.326 12.299 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.469 -6.893 10.583 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.812 -8.577 11.044 1.00 0.00 H new ATOM 572 N ILE A 39 -1.471 -11.100 7.253 1.00 0.00 N ATOM 573 CA ILE A 39 -2.380 -12.176 6.877 1.00 0.00 C ATOM 574 C ILE A 39 -1.611 -13.420 6.447 1.00 0.00 C ATOM 575 O ILE A 39 -1.972 -14.540 6.806 1.00 0.00 O ATOM 576 CB ILE A 39 -3.319 -11.746 5.734 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.132 -10.518 6.147 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.241 -12.893 5.346 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.917 -9.903 5.010 1.00 0.00 C ATOM 0 H ILE A 39 -1.616 -10.228 6.744 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.977 -12.408 7.759 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.714 -11.482 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.821 -10.800 6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.458 -9.768 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.898 -12.574 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.645 -13.743 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.841 -13.185 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.469 -9.037 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.232 -9.590 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.617 -10.638 4.612 1.00 0.00 H new ATOM 591 N GLU A 40 -0.546 -13.215 5.677 1.00 0.00 N ATOM 592 CA GLU A 40 0.275 -14.321 5.200 1.00 0.00 C ATOM 593 C GLU A 40 1.002 -14.999 6.358 1.00 0.00 C ATOM 594 O GLU A 40 1.041 -16.226 6.447 1.00 0.00 O ATOM 595 CB GLU A 40 1.289 -13.824 4.168 1.00 0.00 C ATOM 596 CG GLU A 40 0.725 -13.719 2.761 1.00 0.00 C ATOM 597 CD GLU A 40 1.354 -14.712 1.804 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.249 -15.930 2.060 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.951 -14.273 0.799 1.00 0.00 O ATOM 0 H GLU A 40 -0.232 -12.294 5.371 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.383 -15.052 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.658 -12.846 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.145 -14.499 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.352 -13.883 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.883 -12.708 2.385 1.00 0.00 H new ATOM 606 N SER A 41 1.577 -14.190 7.242 1.00 0.00 N ATOM 607 CA SER A 41 2.306 -14.710 8.393 1.00 0.00 C ATOM 608 C SER A 41 1.370 -15.461 9.335 1.00 0.00 C ATOM 609 O SER A 41 1.731 -16.500 9.888 1.00 0.00 O ATOM 610 CB SER A 41 2.998 -13.570 9.143 1.00 0.00 C ATOM 611 OG SER A 41 3.306 -13.948 10.473 1.00 0.00 O ATOM 0 H SER A 41 1.552 -13.172 7.183 1.00 0.00 H new ATOM 0 HA SER A 41 3.062 -15.406 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.912 -13.289 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.353 -12.692 9.151 1.00 0.00 H new ATOM 0 HG SER A 41 3.749 -13.203 10.931 1.00 0.00 H new ATOM 617 N ARG A 42 0.167 -14.926 9.514 1.00 0.00 N ATOM 618 CA ARG A 42 -0.821 -15.543 10.391 1.00 0.00 C ATOM 619 C ARG A 42 -1.241 -16.910 9.859 1.00 0.00 C ATOM 620 O ARG A 42 -1.174 -17.911 10.571 1.00 0.00 O ATOM 621 CB ARG A 42 -2.047 -14.639 10.529 1.00 0.00 C ATOM 622 CG ARG A 42 -1.742 -13.292 11.165 1.00 0.00 C ATOM 623 CD ARG A 42 -1.943 -13.329 12.672 1.00 0.00 C ATOM 624 NE ARG A 42 -1.114 -12.342 13.359 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.057 -12.223 14.681 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.776 -13.025 15.454 1.00 0.00 N ATOM 627 NH2 ARG A 42 -0.278 -11.301 15.232 1.00 0.00 N ATOM 0 H ARG A 42 -0.147 -14.067 9.063 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.366 -15.678 11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.480 -14.476 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.800 -15.152 11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.714 -13.007 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.387 -12.529 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.992 -13.145 12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.705 -14.325 13.045 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.548 -11.710 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.375 -13.736 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.730 -12.931 16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.278 -10.683 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.235 -11.210 16.247 1.00 0.00 H new ATOM 641 N GLN A 43 -1.675 -16.942 8.603 1.00 0.00 N ATOM 642 CA GLN A 43 -2.107 -18.186 7.976 1.00 0.00 C ATOM 643 C GLN A 43 -1.044 -19.269 8.127 1.00 0.00 C ATOM 644 O GLN A 43 -1.359 -20.431 8.386 1.00 0.00 O ATOM 645 CB GLN A 43 -2.412 -17.956 6.495 1.00 0.00 C ATOM 646 CG GLN A 43 -3.894 -18.013 6.163 1.00 0.00 C ATOM 647 CD GLN A 43 -4.218 -19.057 5.112 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.134 -20.258 5.368 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.590 -18.603 3.921 1.00 0.00 N ATOM 0 H GLN A 43 -1.737 -16.122 8.000 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.014 -18.521 8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.019 -16.984 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.887 -18.706 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.457 -18.230 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.221 -17.035 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.646 -17.599 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.820 -19.259 3.174 1.00 0.00 H new ATOM 658 N LYS A 44 0.216 -18.882 7.963 1.00 0.00 N ATOM 659 CA LYS A 44 1.327 -19.819 8.081 1.00 0.00 C ATOM 660 C LYS A 44 1.281 -20.551 9.419 1.00 0.00 C ATOM 661 O LYS A 44 1.724 -21.694 9.527 1.00 0.00 O ATOM 662 CB LYS A 44 2.660 -19.082 7.936 1.00 0.00 C ATOM 663 CG LYS A 44 2.993 -18.703 6.503 1.00 0.00 C ATOM 664 CD LYS A 44 3.983 -19.675 5.884 1.00 0.00 C ATOM 665 CE LYS A 44 4.721 -19.048 4.712 1.00 0.00 C ATOM 666 NZ LYS A 44 3.840 -18.888 3.522 1.00 0.00 N ATOM 0 H LYS A 44 0.494 -17.924 7.748 1.00 0.00 H new ATOM 0 HA LYS A 44 1.237 -20.554 7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.634 -18.179 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.458 -19.710 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.079 -18.685 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.408 -17.695 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.702 -19.994 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.456 -20.568 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.112 -18.074 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.578 -19.668 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.381 -18.457 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.487 -19.820 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.036 -18.275 3.765 1.00 0.00 H new ATOM 680 N ARG A 45 0.743 -19.884 10.434 1.00 0.00 N ATOM 681 CA ARG A 45 0.639 -20.471 11.765 1.00 0.00 C ATOM 682 C ARG A 45 -0.816 -20.761 12.120 1.00 0.00 C ATOM 683 O ARG A 45 -1.186 -20.795 13.294 1.00 0.00 O ATOM 684 CB ARG A 45 1.253 -19.536 12.808 1.00 0.00 C ATOM 685 CG ARG A 45 2.760 -19.683 12.946 1.00 0.00 C ATOM 686 CD ARG A 45 3.247 -19.180 14.296 1.00 0.00 C ATOM 687 NE ARG A 45 4.576 -19.690 14.623 1.00 0.00 N ATOM 688 CZ ARG A 45 5.310 -19.235 15.633 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.845 -18.266 16.410 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.510 -19.749 15.867 1.00 0.00 N ATOM 0 H ARG A 45 0.372 -18.937 10.361 1.00 0.00 H new ATOM 0 HA ARG A 45 1.189 -21.412 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.020 -18.505 12.541 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.788 -19.728 13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.037 -20.730 12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.255 -19.128 12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.268 -18.090 14.291 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.542 -19.481 15.071 1.00 0.00 H new ATOM 0 HE ARG A 45 4.962 -20.436 14.044 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.922 -17.869 16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.410 -17.918 17.185 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.871 -20.494 15.271 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.072 -19.399 16.643 1.00 0.00 H new ATOM 704 N LYS A 46 -1.639 -20.968 11.097 1.00 0.00 N ATOM 705 CA LYS A 46 -3.054 -21.256 11.299 1.00 0.00 C ATOM 706 C LYS A 46 -3.703 -20.197 12.185 1.00 0.00 C ATOM 707 O LYS A 46 -4.638 -20.486 12.933 1.00 0.00 O ATOM 708 CB LYS A 46 -3.230 -22.640 11.929 1.00 0.00 C ATOM 709 CG LYS A 46 -3.148 -23.778 10.927 1.00 0.00 C ATOM 710 CD LYS A 46 -2.969 -25.119 11.620 1.00 0.00 C ATOM 711 CE LYS A 46 -4.283 -25.631 12.190 1.00 0.00 C ATOM 712 NZ LYS A 46 -4.329 -27.120 12.224 1.00 0.00 N ATOM 0 H LYS A 46 -1.350 -20.942 10.119 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.544 -21.242 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.465 -22.783 12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.195 -22.680 12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.055 -23.798 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.315 -23.605 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.571 -25.846 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.237 -25.021 12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.419 -25.240 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.111 -25.255 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.240 -27.430 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.225 -27.493 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.554 -27.478 12.818 1.00 0.00 H new ATOM 726 N LYS A 47 -3.204 -18.969 12.094 1.00 0.00 N ATOM 727 CA LYS A 47 -3.736 -17.865 12.884 1.00 0.00 C ATOM 728 C LYS A 47 -4.847 -17.142 12.130 1.00 0.00 C ATOM 729 O LYS A 47 -5.220 -17.536 11.024 1.00 0.00 O ATOM 730 CB LYS A 47 -2.620 -16.880 13.239 1.00 0.00 C ATOM 731 CG LYS A 47 -2.234 -16.902 14.708 1.00 0.00 C ATOM 732 CD LYS A 47 -0.822 -16.380 14.920 1.00 0.00 C ATOM 733 CE LYS A 47 -0.565 -16.048 16.382 1.00 0.00 C ATOM 734 NZ LYS A 47 0.889 -15.911 16.673 1.00 0.00 N ATOM 0 H LYS A 47 -2.431 -18.713 11.480 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.154 -18.277 13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.740 -17.108 12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.937 -15.872 12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.937 -16.296 15.279 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.308 -17.920 15.090 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.103 -17.126 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.667 -15.490 14.311 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.076 -15.120 16.639 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.989 -16.830 17.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.022 -15.685 17.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.373 -16.805 16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.289 -15.148 16.091 1.00 0.00 H new ATOM 748 N LYS A 48 -5.371 -16.081 12.733 1.00 0.00 N ATOM 749 CA LYS A 48 -6.438 -15.300 12.117 1.00 0.00 C ATOM 750 C LYS A 48 -6.092 -13.814 12.114 1.00 0.00 C ATOM 751 O LYS A 48 -5.489 -13.306 13.059 1.00 0.00 O ATOM 752 CB LYS A 48 -7.757 -15.526 12.858 1.00 0.00 C ATOM 753 CG LYS A 48 -7.834 -14.809 14.196 1.00 0.00 C ATOM 754 CD LYS A 48 -8.433 -15.699 15.272 1.00 0.00 C ATOM 755 CE LYS A 48 -7.398 -16.655 15.845 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.023 -17.705 16.695 1.00 0.00 N ATOM 0 H LYS A 48 -5.074 -15.742 13.648 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.548 -15.632 11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.580 -15.190 12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.895 -16.595 13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.836 -14.493 14.498 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.436 -13.907 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.841 -15.081 16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.263 -16.268 14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.849 -17.127 15.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.673 -16.094 16.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.284 -18.336 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.526 -17.257 17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.696 -18.257 16.126 1.00 0.00 H new ATOM 770 N ALA A 49 -6.479 -13.123 11.047 1.00 0.00 N ATOM 771 CA ALA A 49 -6.212 -11.695 10.923 1.00 0.00 C ATOM 772 C ALA A 49 -7.255 -10.875 11.676 1.00 0.00 C ATOM 773 O ALA A 49 -8.457 -11.029 11.456 1.00 0.00 O ATOM 774 CB ALA A 49 -6.177 -11.290 9.457 1.00 0.00 C ATOM 0 H ALA A 49 -6.979 -13.529 10.256 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.238 -11.492 11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.977 -10.221 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.391 -11.845 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.139 -11.513 8.995 1.00 0.00 H new ATOM 780 N TYR A 50 -6.788 -10.005 12.564 1.00 0.00 N ATOM 781 CA TYR A 50 -7.680 -9.163 13.351 1.00 0.00 C ATOM 782 C TYR A 50 -7.269 -7.697 13.258 1.00 0.00 C ATOM 783 O TYR A 50 -6.113 -7.380 12.977 1.00 0.00 O ATOM 784 CB TYR A 50 -7.681 -9.612 14.814 1.00 0.00 C ATOM 785 CG TYR A 50 -6.300 -9.880 15.366 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.503 -8.840 15.831 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.790 -11.171 15.422 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.239 -9.080 16.336 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.528 -11.420 15.926 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.757 -10.371 16.382 1.00 0.00 C ATOM 791 OH TYR A 50 -2.499 -10.615 16.884 1.00 0.00 O ATOM 0 H TYR A 50 -5.796 -9.864 12.757 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.686 -9.266 12.945 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.163 -8.845 15.420 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.282 -10.516 14.907 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.878 -7.828 15.797 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.391 -11.995 15.065 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.632 -8.261 16.693 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.147 -12.430 15.963 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.546 -11.332 17.550 1.00 0.00 H new ATOM 801 N CYS A 51 -8.225 -6.805 13.498 1.00 0.00 N ATOM 802 CA CYS A 51 -7.965 -5.371 13.442 1.00 0.00 C ATOM 803 C CYS A 51 -6.749 -5.006 14.288 1.00 0.00 C ATOM 804 O CYS A 51 -6.811 -4.947 15.517 1.00 0.00 O ATOM 805 CB CYS A 51 -9.189 -4.591 13.924 1.00 0.00 C ATOM 806 SG CYS A 51 -10.213 -3.909 12.580 1.00 0.00 S ATOM 0 H CYS A 51 -9.187 -7.050 13.733 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.758 -5.104 12.406 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.805 -5.247 14.539 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.857 -3.773 14.564 1.00 0.00 H new ATOM 811 N PRO A 52 -5.615 -4.753 13.617 1.00 0.00 N ATOM 812 CA PRO A 52 -4.363 -4.388 14.287 1.00 0.00 C ATOM 813 C PRO A 52 -4.422 -2.996 14.906 1.00 0.00 C ATOM 814 O PRO A 52 -3.541 -2.612 15.675 1.00 0.00 O ATOM 815 CB PRO A 52 -3.332 -4.428 13.157 1.00 0.00 C ATOM 816 CG PRO A 52 -4.119 -4.184 11.916 1.00 0.00 C ATOM 817 CD PRO A 52 -5.468 -4.805 12.153 1.00 0.00 C ATOM 0 HA PRO A 52 -4.133 -5.058 15.116 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.564 -3.667 13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.823 -5.391 13.120 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.211 -3.117 11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.630 -4.630 11.050 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.260 -4.250 11.650 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.510 -5.829 11.781 1.00 0.00 H new ATOM 825 N GLN A 53 -5.465 -2.246 14.567 1.00 0.00 N ATOM 826 CA GLN A 53 -5.637 -0.896 15.091 1.00 0.00 C ATOM 827 C GLN A 53 -5.921 -0.925 16.589 1.00 0.00 C ATOM 828 O GLN A 53 -7.030 -1.252 17.014 1.00 0.00 O ATOM 829 CB GLN A 53 -6.775 -0.183 14.358 1.00 0.00 C ATOM 830 CG GLN A 53 -6.569 1.317 14.227 1.00 0.00 C ATOM 831 CD GLN A 53 -5.303 1.669 13.470 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.182 1.388 12.277 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.352 2.287 14.160 1.00 0.00 N ATOM 0 H GLN A 53 -6.203 -2.550 13.932 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.709 -0.349 14.927 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.882 -0.615 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.709 -0.368 14.888 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.427 1.754 13.716 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.529 1.762 15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.495 2.500 15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.478 2.548 13.703 1.00 0.00 H new ATOM 842 N ILE A 54 -4.913 -0.583 17.384 1.00 0.00 N ATOM 843 CA ILE A 54 -5.056 -0.569 18.835 1.00 0.00 C ATOM 844 C ILE A 54 -6.277 0.239 19.260 1.00 0.00 C ATOM 845 O ILE A 54 -6.284 1.466 19.171 1.00 0.00 O ATOM 846 CB ILE A 54 -3.805 0.014 19.518 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.545 -0.688 19.009 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.917 -0.117 21.029 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.585 0.236 18.292 1.00 0.00 C ATOM 0 H ILE A 54 -3.989 -0.312 17.048 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.182 -1.605 19.149 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.734 1.073 19.269 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.031 -1.150 19.852 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.835 -1.492 18.333 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.025 0.299 21.497 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.796 0.425 21.377 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.010 -1.169 21.297 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.715 -0.330 17.959 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.082 0.678 17.429 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.265 1.026 18.971 1.00 0.00 H new ATOM 861 N GLY A 55 -7.310 -0.459 19.724 1.00 0.00 N ATOM 862 CA GLY A 55 -8.522 0.211 20.158 1.00 0.00 C ATOM 863 C GLY A 55 -9.771 -0.413 19.567 1.00 0.00 C ATOM 864 O GLY A 55 -10.873 -0.220 20.082 1.00 0.00 O ATOM 0 H GLY A 55 -7.329 -1.475 19.807 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.583 0.178 21.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.475 1.262 19.873 1.00 0.00 H new ATOM 868 N CYS A 56 -9.601 -1.162 18.483 1.00 0.00 N ATOM 869 CA CYS A 56 -10.724 -1.814 17.820 1.00 0.00 C ATOM 870 C CYS A 56 -11.058 -3.141 18.496 1.00 0.00 C ATOM 871 O CYS A 56 -10.200 -3.766 19.118 1.00 0.00 O ATOM 872 CB CYS A 56 -10.404 -2.048 16.342 1.00 0.00 C ATOM 873 SG CYS A 56 -11.869 -2.067 15.259 1.00 0.00 S ATOM 0 H CYS A 56 -8.696 -1.333 18.045 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.591 -1.158 17.898 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.723 -1.268 16.001 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.878 -2.997 16.241 1.00 0.00 H new ATOM 878 N SER A 57 -12.312 -3.563 18.368 1.00 0.00 N ATOM 879 CA SER A 57 -12.762 -4.814 18.969 1.00 0.00 C ATOM 880 C SER A 57 -12.877 -5.912 17.917 1.00 0.00 C ATOM 881 O SER A 57 -12.790 -7.100 18.230 1.00 0.00 O ATOM 882 CB SER A 57 -14.110 -4.614 19.664 1.00 0.00 C ATOM 883 OG SER A 57 -15.144 -4.402 18.719 1.00 0.00 O ATOM 0 H SER A 57 -13.034 -3.058 17.854 1.00 0.00 H new ATOM 0 HA SER A 57 -12.022 -5.120 19.708 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.342 -5.488 20.272 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.051 -3.761 20.341 1.00 0.00 H new ATOM 0 HG SER A 57 -15.996 -4.279 19.188 1.00 0.00 H new ATOM 889 N HIS A 58 -13.073 -5.506 16.666 1.00 0.00 N ATOM 890 CA HIS A 58 -13.199 -6.455 15.565 1.00 0.00 C ATOM 891 C HIS A 58 -12.007 -7.406 15.528 1.00 0.00 C ATOM 892 O HIS A 58 -10.927 -7.084 16.024 1.00 0.00 O ATOM 893 CB HIS A 58 -13.316 -5.711 14.234 1.00 0.00 C ATOM 894 CG HIS A 58 -13.909 -6.539 13.136 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.156 -7.121 13.221 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.419 -6.880 11.921 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.407 -7.785 12.107 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.369 -7.655 11.302 1.00 0.00 N ATOM 0 H HIS A 58 -13.148 -4.527 16.390 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.103 -7.042 15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.928 -4.820 14.377 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.326 -5.372 13.928 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.786 -7.050 14.020 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.460 -6.596 11.514 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.308 -8.340 11.892 1.00 0.00 H new ATOM 906 N THR A 59 -12.210 -8.579 14.936 1.00 0.00 N ATOM 907 CA THR A 59 -11.152 -9.577 14.835 1.00 0.00 C ATOM 908 C THR A 59 -11.381 -10.502 13.645 1.00 0.00 C ATOM 909 O THR A 59 -11.064 -11.690 13.700 1.00 0.00 O ATOM 910 CB THR A 59 -11.056 -10.424 16.118 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.367 -10.790 16.563 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.336 -9.659 17.218 1.00 0.00 C ATOM 0 H THR A 59 -13.097 -8.861 14.519 1.00 0.00 H new ATOM 0 HA THR A 59 -10.217 -9.034 14.695 1.00 0.00 H new ATOM 0 HB THR A 59 -10.486 -11.325 15.891 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.297 -11.330 17.378 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.280 -10.277 18.114 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.328 -9.408 16.887 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.883 -8.743 17.442 1.00 0.00 H new ATOM 920 N ASP A 60 -11.932 -9.949 12.570 1.00 0.00 N ATOM 921 CA ASP A 60 -12.201 -10.725 11.364 1.00 0.00 C ATOM 922 C ASP A 60 -11.838 -9.930 10.114 1.00 0.00 C ATOM 923 O ASP A 60 -12.604 -9.078 9.664 1.00 0.00 O ATOM 924 CB ASP A 60 -13.674 -11.133 11.314 1.00 0.00 C ATOM 925 CG ASP A 60 -13.855 -12.634 11.202 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.025 -13.284 10.531 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.825 -13.160 11.787 1.00 0.00 O ATOM 0 H ASP A 60 -12.201 -8.967 12.509 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.583 -11.623 11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.178 -10.775 12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.154 -10.648 10.464 1.00 0.00 H new ATOM 932 N ILE A 61 -10.664 -10.213 9.559 1.00 0.00 N ATOM 933 CA ILE A 61 -10.200 -9.524 8.361 1.00 0.00 C ATOM 934 C ILE A 61 -9.808 -10.518 7.273 1.00 0.00 C ATOM 935 O ILE A 61 -9.080 -11.478 7.528 1.00 0.00 O ATOM 936 CB ILE A 61 -8.996 -8.613 8.667 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.360 -7.595 9.749 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.532 -7.906 7.402 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.196 -6.735 10.186 1.00 0.00 C ATOM 0 H ILE A 61 -10.017 -10.914 9.920 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.029 -8.911 8.008 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.177 -9.230 9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.157 -6.951 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.756 -8.124 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.681 -7.266 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.237 -8.647 6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.345 -7.298 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.528 -6.037 10.955 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.406 -7.369 10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.814 -6.178 9.331 1.00 0.00 H new ATOM 951 N ARG A 62 -10.294 -10.280 6.059 1.00 0.00 N ATOM 952 CA ARG A 62 -9.994 -11.154 4.932 1.00 0.00 C ATOM 953 C ARG A 62 -9.369 -10.366 3.784 1.00 0.00 C ATOM 954 O ARG A 62 -9.781 -9.243 3.491 1.00 0.00 O ATOM 955 CB ARG A 62 -11.265 -11.855 4.450 1.00 0.00 C ATOM 956 CG ARG A 62 -11.675 -13.036 5.316 1.00 0.00 C ATOM 957 CD ARG A 62 -12.420 -14.086 4.508 1.00 0.00 C ATOM 958 NE ARG A 62 -12.451 -15.379 5.188 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.268 -15.660 6.197 1.00 0.00 C ATOM 960 NH1 ARG A 62 -14.118 -14.744 6.641 1.00 0.00 N ATOM 961 NH2 ARG A 62 -13.236 -16.859 6.764 1.00 0.00 N ATOM 0 H ARG A 62 -10.897 -9.489 5.831 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.278 -11.904 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.081 -11.133 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.114 -12.200 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.789 -13.483 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.307 -12.688 6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.440 -13.747 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.944 -14.200 3.534 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.810 -16.106 4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.146 -13.821 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.744 -14.962 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.584 -17.566 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.864 -17.074 7.539 1.00 0.00 H new ATOM 975 N LYS A 63 -8.373 -10.961 3.138 1.00 0.00 N ATOM 976 CA LYS A 63 -7.691 -10.316 2.022 1.00 0.00 C ATOM 977 C LYS A 63 -8.683 -9.922 0.932 1.00 0.00 C ATOM 978 O LYS A 63 -8.439 -8.992 0.164 1.00 0.00 O ATOM 979 CB LYS A 63 -6.624 -11.248 1.442 1.00 0.00 C ATOM 980 CG LYS A 63 -5.516 -10.518 0.703 1.00 0.00 C ATOM 981 CD LYS A 63 -4.748 -11.454 -0.215 1.00 0.00 C ATOM 982 CE LYS A 63 -3.854 -12.399 0.573 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.661 -13.697 -0.131 1.00 0.00 N ATOM 0 H LYS A 63 -8.019 -11.890 3.368 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.211 -9.412 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.186 -11.833 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.101 -11.953 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.943 -9.703 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.831 -10.070 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.450 -12.032 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.141 -10.870 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.885 -11.928 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.293 -12.580 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.046 -14.313 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.583 -14.159 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.219 -13.527 -1.057 1.00 0.00 H new ATOM 997 N SER A 64 -9.804 -10.634 0.873 1.00 0.00 N ATOM 998 CA SER A 64 -10.832 -10.360 -0.124 1.00 0.00 C ATOM 999 C SER A 64 -11.566 -9.062 0.196 1.00 0.00 C ATOM 1000 O SER A 64 -12.127 -8.417 -0.691 1.00 0.00 O ATOM 1001 CB SER A 64 -11.828 -11.519 -0.193 1.00 0.00 C ATOM 1002 OG SER A 64 -12.296 -11.712 -1.516 1.00 0.00 O ATOM 0 H SER A 64 -10.023 -11.405 1.504 1.00 0.00 H new ATOM 0 HA SER A 64 -10.344 -10.252 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.353 -12.432 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.671 -11.318 0.468 1.00 0.00 H new ATOM 0 HG SER A 64 -12.930 -12.459 -1.533 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.559 -8.684 1.470 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.223 -7.462 1.909 1.00 0.00 C ATOM 1010 C ASP A 65 -11.237 -6.301 1.973 1.00 0.00 C ATOM 1011 O ASP A 65 -11.451 -5.329 2.700 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.872 -7.673 3.278 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.292 -8.193 3.172 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.010 -7.775 2.240 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.685 -9.020 4.021 1.00 0.00 O ATOM 0 H ASP A 65 -11.101 -9.206 2.217 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.998 -7.217 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.273 -8.376 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.873 -6.730 3.825 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.155 -6.407 1.209 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.134 -5.365 1.179 1.00 0.00 C ATOM 1022 C LEU A 66 -9.213 -4.563 -0.115 1.00 0.00 C ATOM 1023 O LEU A 66 -9.211 -5.129 -1.209 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.743 -5.983 1.326 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.394 -6.531 2.711 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.002 -7.144 2.707 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.492 -5.432 3.759 1.00 0.00 C ATOM 0 H LEU A 66 -9.962 -7.204 0.602 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.314 -4.689 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.649 -6.793 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.002 -5.229 1.058 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.112 -7.312 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.771 -7.529 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.966 -7.960 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.270 -6.384 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.240 -5.840 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.797 -4.629 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.508 -5.039 3.780 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.280 -3.242 0.017 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.355 -2.362 -1.143 1.00 0.00 C ATOM 1041 C ILE A 67 -8.388 -1.191 -1.008 1.00 0.00 C ATOM 1042 O ILE A 67 -7.921 -0.883 0.088 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.781 -1.815 -1.343 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.317 -1.236 -0.032 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.701 -2.912 -1.859 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.648 -0.533 -0.181 1.00 0.00 C ATOM 0 H ILE A 67 -9.284 -2.758 0.915 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.079 -2.960 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.748 -1.017 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.420 -2.041 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.587 -0.533 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.705 -2.510 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.326 -3.283 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.732 -3.730 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.967 -0.148 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.546 0.293 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.392 -1.237 -0.554 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.094 -0.542 -2.130 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.183 0.597 -2.136 1.00 0.00 C ATOM 1060 C GLN A 68 -7.942 1.903 -1.925 1.00 0.00 C ATOM 1061 O GLN A 68 -8.814 2.260 -2.717 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.409 0.650 -3.455 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.650 -0.629 -3.767 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.158 -0.681 -5.200 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.925 -0.959 -6.122 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.872 -0.413 -5.395 1.00 0.00 N ATOM 0 H GLN A 68 -8.473 -0.785 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.479 0.471 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.106 0.856 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.705 1.481 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.799 -0.716 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.296 -1.486 -3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.272 -0.187 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.484 -0.433 -6.338 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.605 2.610 -0.853 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.254 3.877 -0.538 1.00 0.00 C ATOM 1077 C ASP A 69 -7.546 5.038 -1.230 1.00 0.00 C ATOM 1078 O ASP A 69 -6.480 5.474 -0.796 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.272 4.103 0.975 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.327 5.106 1.398 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -10.477 4.688 1.649 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.003 6.309 1.480 1.00 0.00 O ATOM 0 H ASP A 69 -6.886 2.327 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.280 3.832 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.454 3.154 1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.292 4.453 1.299 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.145 5.532 -2.308 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.570 6.640 -3.061 1.00 0.00 C ATOM 1089 C GLU A 70 -7.611 7.930 -2.246 1.00 0.00 C ATOM 1090 O GLU A 70 -6.692 8.746 -2.310 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.320 6.834 -4.381 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.412 7.160 -5.555 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.184 7.577 -6.791 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.229 8.244 -6.640 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.744 7.237 -7.909 1.00 0.00 O ATOM 0 H GLU A 70 -9.028 5.183 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.529 6.398 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.881 5.927 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.047 7.637 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.729 7.961 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.801 6.289 -5.790 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.684 8.107 -1.482 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.845 9.296 -0.654 1.00 0.00 C ATOM 1104 C ALA A 71 -7.635 9.503 0.250 1.00 0.00 C ATOM 1105 O ALA A 71 -7.314 10.631 0.627 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.115 9.192 0.176 1.00 0.00 C ATOM 0 H ALA A 71 -9.455 7.442 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.925 10.160 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.223 10.086 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.976 9.100 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.058 8.315 0.820 1.00 0.00 H new ATOM 1112 N LEU A 72 -6.966 8.408 0.596 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.791 8.470 1.457 1.00 0.00 C ATOM 1114 C LEU A 72 -4.513 8.569 0.629 1.00 0.00 C ATOM 1115 O LEU A 72 -3.590 9.304 0.980 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.731 7.237 2.361 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.196 7.466 3.775 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.429 6.237 4.640 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.717 7.819 3.735 1.00 0.00 C ATOM 0 H LEU A 72 -7.218 7.467 0.293 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.872 9.364 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.734 6.818 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.108 6.486 1.876 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.737 8.303 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.042 6.419 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.497 6.029 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.915 5.381 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.353 7.978 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.160 7.003 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.576 8.729 3.152 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.469 7.827 -0.472 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.305 7.833 -1.351 1.00 0.00 C ATOM 1133 C ARG A 73 -2.961 9.254 -1.787 1.00 0.00 C ATOM 1134 O ARG A 73 -1.810 9.681 -1.693 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.563 6.959 -2.580 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.109 5.519 -2.409 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.873 4.846 -3.752 1.00 0.00 C ATOM 1138 NE ARG A 73 -4.104 4.728 -4.529 1.00 0.00 N ATOM 1139 CZ ARG A 73 -4.180 4.094 -5.694 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.102 3.524 -6.214 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -5.337 4.030 -6.341 1.00 0.00 N ATOM 0 H ARG A 73 -5.225 7.214 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.459 7.427 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.629 6.971 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.050 7.393 -3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.191 5.493 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.861 4.963 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.139 5.418 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.449 3.855 -3.591 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.952 5.156 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.211 3.571 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.163 3.038 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.168 4.468 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.395 3.543 -7.235 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.966 9.981 -2.265 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.769 11.353 -2.717 1.00 0.00 C ATOM 1157 C ARG A 74 -3.286 12.239 -1.573 1.00 0.00 C ATOM 1158 O ARG A 74 -2.557 13.207 -1.789 1.00 0.00 O ATOM 1159 CB ARG A 74 -5.069 11.913 -3.296 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.547 11.181 -4.539 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.981 11.552 -4.888 1.00 0.00 C ATOM 1162 NE ARG A 74 -7.151 11.796 -6.317 1.00 0.00 N ATOM 1163 CZ ARG A 74 -8.316 12.102 -6.877 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.408 12.203 -6.131 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.391 12.310 -8.185 1.00 0.00 N ATOM 0 H ARG A 74 -4.925 9.643 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.006 11.346 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.847 11.864 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.925 12.966 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.894 11.421 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.477 10.105 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.649 10.750 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.271 12.443 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.330 11.728 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.355 12.046 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.301 12.438 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.553 12.235 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.286 12.545 -8.614 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.698 11.900 -0.355 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.306 12.664 0.823 1.00 0.00 C ATOM 1181 C ALA A 75 -1.809 12.540 1.085 1.00 0.00 C ATOM 1182 O ALA A 75 -1.103 13.543 1.190 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.097 12.201 2.038 1.00 0.00 C ATOM 0 H ALA A 75 -4.302 11.102 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.529 13.714 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.795 12.779 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.162 12.348 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.902 11.144 2.218 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.332 11.304 1.191 1.00 0.00 N ATOM 1190 CA ILE A 76 0.081 11.050 1.440 1.00 0.00 C ATOM 1191 C ILE A 76 0.953 11.684 0.361 1.00 0.00 C ATOM 1192 O ILE A 76 2.062 12.142 0.635 1.00 0.00 O ATOM 1193 CB ILE A 76 0.379 9.541 1.504 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.493 8.871 2.568 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.854 9.304 1.794 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.449 7.360 2.522 1.00 0.00 C ATOM 0 H ILE A 76 -1.904 10.463 1.108 1.00 0.00 H new ATOM 0 HA ILE A 76 0.317 11.500 2.404 1.00 0.00 H new ATOM 0 HB ILE A 76 0.143 9.098 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.171 9.206 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.524 9.200 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.049 8.232 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.457 9.752 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.114 9.758 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.090 6.953 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.800 7.015 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.575 7.021 2.679 1.00 0.00 H new ATOM 1208 N GLU A 77 0.442 11.708 -0.866 1.00 0.00 N ATOM 1209 CA GLU A 77 1.174 12.287 -1.986 1.00 0.00 C ATOM 1210 C GLU A 77 1.270 13.804 -1.848 1.00 0.00 C ATOM 1211 O GLU A 77 2.308 14.399 -2.135 1.00 0.00 O ATOM 1212 CB GLU A 77 0.494 11.927 -3.309 1.00 0.00 C ATOM 1213 CG GLU A 77 1.156 10.770 -4.038 1.00 0.00 C ATOM 1214 CD GLU A 77 2.617 11.035 -4.347 1.00 0.00 C ATOM 1215 OE1 GLU A 77 2.921 12.115 -4.895 1.00 0.00 O ATOM 1216 OE2 GLU A 77 3.456 10.162 -4.042 1.00 0.00 O ATOM 0 H GLU A 77 -0.475 11.334 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 77 2.183 11.874 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.548 11.675 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.495 12.803 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.075 9.868 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.621 10.577 -4.968 1.00 0.00 H new ATOM 1223 N ASN A 78 0.180 14.422 -1.406 1.00 0.00 N ATOM 1224 CA ASN A 78 0.140 15.869 -1.230 1.00 0.00 C ATOM 1225 C ASN A 78 1.070 16.306 -0.101 1.00 0.00 C ATOM 1226 O ASN A 78 1.558 17.436 -0.087 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.289 16.329 -0.935 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.678 17.557 -1.736 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -2.205 17.448 -2.843 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -1.419 18.734 -1.178 1.00 0.00 N ATOM 0 H ASN A 78 -0.687 13.943 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 78 0.480 16.332 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.982 15.518 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.385 16.547 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.658 19.595 -1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.981 18.777 -0.258 1.00 0.00 H new ATOM 1237 N HIS A 79 1.310 15.402 0.843 1.00 0.00 N ATOM 1238 CA HIS A 79 2.183 15.693 1.975 1.00 0.00 C ATOM 1239 C HIS A 79 3.640 15.409 1.625 1.00 0.00 C ATOM 1240 O HIS A 79 4.553 16.008 2.193 1.00 0.00 O ATOM 1241 CB HIS A 79 1.768 14.864 3.192 1.00 0.00 C ATOM 1242 CG HIS A 79 2.509 15.224 4.442 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.300 16.402 5.129 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.461 14.553 5.132 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.092 16.440 6.185 1.00 0.00 C ATOM 1246 NE2 HIS A 79 3.807 15.330 6.210 1.00 0.00 N ATOM 0 H HIS A 79 0.913 14.463 0.847 1.00 0.00 H new ATOM 0 HA HIS A 79 2.085 16.752 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.699 14.994 3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.930 13.808 2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.872 13.586 4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.146 17.243 6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.503 15.089 6.915 1.00 0.00 H new ATOM 1254 N ASN A 80 3.851 14.493 0.686 1.00 0.00 N ATOM 1255 CA ASN A 80 5.198 14.129 0.261 1.00 0.00 C ATOM 1256 C ASN A 80 5.738 15.134 -0.752 1.00 0.00 C ATOM 1257 O ASN A 80 6.910 15.510 -0.706 1.00 0.00 O ATOM 1258 CB ASN A 80 5.202 12.724 -0.345 1.00 0.00 C ATOM 1259 CG ASN A 80 5.611 11.663 0.659 1.00 0.00 C ATOM 1260 OD1 ASN A 80 6.568 10.921 0.439 1.00 0.00 O ATOM 1261 ND2 ASN A 80 4.884 11.587 1.768 1.00 0.00 N ATOM 0 H ASN A 80 3.106 13.989 0.205 1.00 0.00 H new ATOM 0 HA ASN A 80 5.845 14.140 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.208 12.494 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.885 12.699 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.111 10.892 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.099 12.223 1.908 1.00 0.00 H new ATOM 1268 N LYS A 81 4.876 15.566 -1.666 1.00 0.00 N ATOM 1269 CA LYS A 81 5.265 16.529 -2.690 1.00 0.00 C ATOM 1270 C LYS A 81 5.682 17.854 -2.060 1.00 0.00 C ATOM 1271 O LYS A 81 6.467 18.607 -2.637 1.00 0.00 O ATOM 1272 CB LYS A 81 4.110 16.758 -3.668 1.00 0.00 C ATOM 1273 CG LYS A 81 2.984 17.600 -3.093 1.00 0.00 C ATOM 1274 CD LYS A 81 3.120 19.060 -3.492 1.00 0.00 C ATOM 1275 CE LYS A 81 2.529 19.319 -4.869 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.748 20.724 -5.311 1.00 0.00 N ATOM 0 H LYS A 81 3.903 15.265 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 81 6.118 16.121 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.495 17.244 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.709 15.792 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.026 17.214 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.985 17.517 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.618 19.688 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.173 19.343 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.978 18.637 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.460 19.106 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.331 20.860 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.298 21.374 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.769 20.920 -5.353 1.00 0.00 H new ATOM 1290 N LYS A 82 5.154 18.132 -0.873 1.00 0.00 N ATOM 1291 CA LYS A 82 5.474 19.365 -0.163 1.00 0.00 C ATOM 1292 C LYS A 82 6.934 19.377 0.276 1.00 0.00 C ATOM 1293 O LYS A 82 7.617 20.396 0.166 1.00 0.00 O ATOM 1294 CB LYS A 82 4.562 19.526 1.056 1.00 0.00 C ATOM 1295 CG LYS A 82 4.210 20.971 1.365 1.00 0.00 C ATOM 1296 CD LYS A 82 2.772 21.287 0.990 1.00 0.00 C ATOM 1297 CE LYS A 82 1.833 21.091 2.170 1.00 0.00 C ATOM 1298 NZ LYS A 82 1.083 22.337 2.495 1.00 0.00 N ATOM 0 H LYS A 82 4.502 17.520 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 82 5.312 20.200 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.643 18.965 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.050 19.086 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.361 21.164 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.883 21.635 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.705 22.316 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.461 20.646 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.128 20.291 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.406 20.774 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.454 22.162 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.755 23.094 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.516 22.626 1.672 1.00 0.00 H new ATOM 1312 N ARG A 83 7.408 18.239 0.772 1.00 0.00 N ATOM 1313 CA ARG A 83 8.788 18.119 1.227 1.00 0.00 C ATOM 1314 C ARG A 83 9.762 18.407 0.089 1.00 0.00 C ATOM 1315 O ARG A 83 10.743 19.131 0.265 1.00 0.00 O ATOM 1316 CB ARG A 83 9.042 16.719 1.789 1.00 0.00 C ATOM 1317 CG ARG A 83 9.505 16.718 3.237 1.00 0.00 C ATOM 1318 CD ARG A 83 10.982 17.060 3.350 1.00 0.00 C ATOM 1319 NE ARG A 83 11.834 15.919 3.024 1.00 0.00 N ATOM 1320 CZ ARG A 83 13.136 15.878 3.282 1.00 0.00 C ATOM 1321 NH1 ARG A 83 13.733 16.907 3.867 1.00 0.00 N ATOM 1322 NH2 ARG A 83 13.845 14.804 2.955 1.00 0.00 N ATOM 0 H ARG A 83 6.856 17.386 0.869 1.00 0.00 H new ATOM 0 HA ARG A 83 8.950 18.854 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.126 16.133 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.793 16.222 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.919 17.438 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.323 15.738 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.214 17.889 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.200 17.397 4.363 1.00 0.00 H new ATOM 0 HE ARG A 83 11.406 15.110 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.192 17.734 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.733 16.872 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.390 14.010 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.845 14.773 3.153 1.00 0.00 H new ATOM 1336 N HIS A 84 9.486 17.835 -1.079 1.00 0.00 N ATOM 1337 CA HIS A 84 10.339 18.031 -2.246 1.00 0.00 C ATOM 1338 C HIS A 84 10.195 19.448 -2.793 1.00 0.00 C ATOM 1339 O HIS A 84 9.277 19.737 -3.560 1.00 0.00 O ATOM 1340 CB HIS A 84 9.990 17.014 -3.334 1.00 0.00 C ATOM 1341 CG HIS A 84 10.811 15.763 -3.270 1.00 0.00 C ATOM 1342 ND1 HIS A 84 10.257 14.501 -3.234 1.00 0.00 N ATOM 1343 CD2 HIS A 84 12.152 15.585 -3.238 1.00 0.00 C ATOM 1344 CE1 HIS A 84 11.222 13.601 -3.180 1.00 0.00 C ATOM 1345 NE2 HIS A 84 12.382 14.232 -3.181 1.00 0.00 N ATOM 0 H HIS A 84 8.679 17.233 -1.242 1.00 0.00 H new ATOM 0 HA HIS A 84 11.374 17.883 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.935 16.751 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.126 17.478 -4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.902 16.362 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.086 12.530 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.299 13.787 -3.145 1.00 0.00 H new ATOM 1353 N ARG A 85 11.107 20.327 -2.391 1.00 0.00 N ATOM 1354 CA ARG A 85 11.080 21.714 -2.839 1.00 0.00 C ATOM 1355 C ARG A 85 11.832 21.875 -4.157 1.00 0.00 C ATOM 1356 O ARG A 85 12.780 21.140 -4.436 1.00 0.00 O ATOM 1357 CB ARG A 85 11.693 22.628 -1.775 1.00 0.00 C ATOM 1358 CG ARG A 85 13.133 22.284 -1.433 1.00 0.00 C ATOM 1359 CD ARG A 85 13.392 22.390 0.061 1.00 0.00 C ATOM 1360 NE ARG A 85 14.640 23.090 0.353 1.00 0.00 N ATOM 1361 CZ ARG A 85 15.842 22.594 0.077 1.00 0.00 C ATOM 1362 NH1 ARG A 85 15.956 21.403 -0.495 1.00 0.00 N ATOM 1363 NH2 ARG A 85 16.932 23.291 0.372 1.00 0.00 N ATOM 0 H ARG A 85 11.873 20.103 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 85 10.040 21.998 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.648 23.659 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.090 22.572 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.356 21.272 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.805 22.955 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.563 22.914 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.427 21.390 0.494 1.00 0.00 H new ATOM 0 HE ARG A 85 14.586 24.009 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.120 20.865 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.880 21.025 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.848 24.208 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.854 22.910 0.160 1.00 0.00 H new ATOM 1377 N HIS A 86 11.403 22.840 -4.963 1.00 0.00 N ATOM 1378 CA HIS A 86 12.036 23.097 -6.252 1.00 0.00 C ATOM 1379 C HIS A 86 11.949 21.870 -7.154 1.00 0.00 C ATOM 1380 O HIS A 86 12.773 20.960 -7.061 1.00 0.00 O ATOM 1381 CB HIS A 86 13.498 23.498 -6.055 1.00 0.00 C ATOM 1382 CG HIS A 86 13.788 24.916 -6.440 1.00 0.00 C ATOM 1383 ND1 HIS A 86 14.183 25.876 -5.534 1.00 0.00 N ATOM 1384 CD2 HIS A 86 13.740 25.534 -7.644 1.00 0.00 C ATOM 1385 CE1 HIS A 86 14.364 27.024 -6.162 1.00 0.00 C ATOM 1386 NE2 HIS A 86 14.102 26.843 -7.444 1.00 0.00 N ATOM 0 H HIS A 86 10.620 23.457 -4.747 1.00 0.00 H new ATOM 0 HA HIS A 86 11.504 23.918 -6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.768 23.352 -5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 86 14.131 22.834 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.468 25.081 -8.586 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.673 27.952 -5.705 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.159 27.559 -8.168 1.00 0.00 H new ATOM 1394 N SER A 87 10.946 21.852 -8.026 1.00 0.00 N ATOM 1395 CA SER A 87 10.750 20.735 -8.942 1.00 0.00 C ATOM 1396 C SER A 87 10.329 21.231 -10.322 1.00 0.00 C ATOM 1397 O SER A 87 9.239 21.775 -10.492 1.00 0.00 O ATOM 1398 CB SER A 87 9.694 19.775 -8.390 1.00 0.00 C ATOM 1399 OG SER A 87 10.293 18.746 -7.621 1.00 0.00 O ATOM 0 H SER A 87 10.257 22.598 -8.117 1.00 0.00 H new ATOM 0 HA SER A 87 11.698 20.206 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.983 20.326 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.130 19.337 -9.214 1.00 0.00 H new ATOM 0 HG SER A 87 9.597 18.147 -7.278 1.00 0.00 H new ATOM 1405 N GLU A 88 11.204 21.038 -11.305 1.00 0.00 N ATOM 1406 CA GLU A 88 10.924 21.467 -12.671 1.00 0.00 C ATOM 1407 C GLU A 88 10.279 20.341 -13.473 1.00 0.00 C ATOM 1408 O GLU A 88 10.925 19.344 -13.794 1.00 0.00 O ATOM 1409 CB GLU A 88 12.211 21.926 -13.359 1.00 0.00 C ATOM 1410 CG GLU A 88 11.972 22.707 -14.640 1.00 0.00 C ATOM 1411 CD GLU A 88 12.782 23.987 -14.703 1.00 0.00 C ATOM 1412 OE1 GLU A 88 12.501 24.907 -13.907 1.00 0.00 O ATOM 1413 OE2 GLU A 88 13.697 24.068 -15.549 1.00 0.00 O ATOM 0 H GLU A 88 12.111 20.588 -11.181 1.00 0.00 H new ATOM 0 HA GLU A 88 10.227 22.304 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.782 22.545 -12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.823 21.053 -13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.223 22.080 -15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.912 22.948 -14.722 1.00 0.00 H new ATOM 1420 N SER A 89 8.999 20.508 -13.792 1.00 0.00 N ATOM 1421 CA SER A 89 8.264 19.504 -14.553 1.00 0.00 C ATOM 1422 C SER A 89 8.738 19.466 -16.003 1.00 0.00 C ATOM 1423 O SER A 89 8.874 20.503 -16.651 1.00 0.00 O ATOM 1424 CB SER A 89 6.763 19.795 -14.503 1.00 0.00 C ATOM 1425 OG SER A 89 6.516 21.151 -14.174 1.00 0.00 O ATOM 0 H SER A 89 8.450 21.328 -13.535 1.00 0.00 H new ATOM 0 HA SER A 89 8.454 18.530 -14.102 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.313 19.564 -15.468 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.288 19.147 -13.766 1.00 0.00 H new ATOM 0 HG SER A 89 5.549 21.311 -14.150 1.00 0.00 H new ATOM 1431 N GLY A 90 8.989 18.261 -16.505 1.00 0.00 N ATOM 1432 CA GLY A 90 9.446 18.108 -17.874 1.00 0.00 C ATOM 1433 C GLY A 90 10.037 16.738 -18.139 1.00 0.00 C ATOM 1434 O GLY A 90 11.254 16.555 -18.150 1.00 0.00 O ATOM 0 H GLY A 90 8.884 17.388 -15.988 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.611 18.277 -18.553 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.194 18.871 -18.091 1.00 0.00 H new ATOM 1438 N PRO A 91 9.162 15.744 -18.358 1.00 0.00 N ATOM 1439 CA PRO A 91 9.581 14.366 -18.626 1.00 0.00 C ATOM 1440 C PRO A 91 10.242 14.216 -19.993 1.00 0.00 C ATOM 1441 O PRO A 91 11.004 13.279 -20.225 1.00 0.00 O ATOM 1442 CB PRO A 91 8.269 13.580 -18.578 1.00 0.00 C ATOM 1443 CG PRO A 91 7.217 14.579 -18.916 1.00 0.00 C ATOM 1444 CD PRO A 91 7.697 15.891 -18.359 1.00 0.00 C ATOM 0 HA PRO A 91 10.327 14.021 -17.910 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.275 12.755 -19.291 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.102 13.148 -17.591 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.072 14.643 -19.994 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.258 14.298 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.378 16.731 -18.976 1.00 0.00 H new ATOM 0 HD3 PRO A 91 7.310 16.068 -17.355 1.00 0.00 H new ATOM 1452 N SER A 92 9.944 15.148 -20.894 1.00 0.00 N ATOM 1453 CA SER A 92 10.506 15.117 -22.239 1.00 0.00 C ATOM 1454 C SER A 92 10.170 13.804 -22.939 1.00 0.00 C ATOM 1455 O SER A 92 11.041 12.961 -23.154 1.00 0.00 O ATOM 1456 CB SER A 92 12.024 15.305 -22.184 1.00 0.00 C ATOM 1457 OG SER A 92 12.361 16.633 -21.825 1.00 0.00 O ATOM 0 H SER A 92 9.317 15.933 -20.717 1.00 0.00 H new ATOM 0 HA SER A 92 10.065 15.935 -22.809 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.454 14.610 -21.463 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.458 15.066 -23.155 1.00 0.00 H new ATOM 0 HG SER A 92 13.336 16.726 -21.795 1.00 0.00 H new ATOM 1463 N SER A 93 8.899 13.638 -23.292 1.00 0.00 N ATOM 1464 CA SER A 93 8.445 12.427 -23.965 1.00 0.00 C ATOM 1465 C SER A 93 8.553 12.574 -25.480 1.00 0.00 C ATOM 1466 O SER A 93 9.205 11.772 -26.147 1.00 0.00 O ATOM 1467 CB SER A 93 7.000 12.113 -23.574 1.00 0.00 C ATOM 1468 OG SER A 93 6.826 12.176 -22.169 1.00 0.00 O ATOM 0 H SER A 93 8.166 14.327 -23.123 1.00 0.00 H new ATOM 0 HA SER A 93 9.087 11.604 -23.651 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.327 12.820 -24.059 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.731 11.120 -23.933 1.00 0.00 H new ATOM 0 HG SER A 93 5.894 11.973 -21.945 1.00 0.00 H new ATOM 1474 N GLY A 94 7.908 13.605 -26.016 1.00 0.00 N ATOM 1475 CA GLY A 94 7.943 13.839 -27.448 1.00 0.00 C ATOM 1476 C GLY A 94 7.851 15.312 -27.797 1.00 0.00 C ATOM 1477 O GLY A 94 8.703 16.085 -27.364 1.00 0.00 O ATOM 0 H GLY A 94 7.362 14.283 -25.484 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.866 13.429 -27.858 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.119 13.305 -27.921 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.159 -1.808 13.033 1.00 0.00 ZN