USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 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 Set 1.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl 143:sc= -0.417 (180deg=-5!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.2: A 25 THR OG1 : rot 63:sc= 0.899 USER MOD Set 3.1: A 13 MET CE :methyl 157:sc= -0.28 (180deg=-0.296) USER MOD Set 3.2: A 63 HIS : no HD1:sc= -1.05 K(o=-1.3,f=-2.9) USER MOD Single : A 3 TYR OH : rot 15:sc= 0 USER MOD Single : A 14 THR OG1 : rot 170:sc= 0.0323 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= -0.285 (180deg=-0.338) USER MOD Single : A 20 ASN : amide:sc= 0.613 K(o=0.61,f=-0.0062) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 54:sc= 1.02 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.861 USER MOD Single : A 51 THR OG1 : rot 154:sc= 0.585 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 97:sc= 1.3 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -141:sc= -0.0101 (180deg=-1.33) USER MOD Single : A 88 GLN : amide:sc= 0.208 K(o=0.21,f=-2.7!) USER MOD Single : A 89 MET CE :methyl 166:sc= -0.0534 (180deg=-0.293) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -5.548 15.742 3.317 1.00 0.00 N ATOM 30 CA TYR A 3 -6.167 14.438 3.119 1.00 0.00 C ATOM 31 C TYR A 3 -7.671 14.592 2.951 1.00 0.00 C ATOM 32 O TYR A 3 -8.214 15.681 3.144 1.00 0.00 O ATOM 33 CB TYR A 3 -5.852 13.534 4.312 1.00 0.00 C ATOM 34 CG TYR A 3 -4.365 13.328 4.498 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.608 14.248 5.239 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.746 12.216 3.911 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.217 14.085 5.348 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.358 12.038 4.026 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.592 12.985 4.732 1.00 0.00 C ATOM 40 OH TYR A 3 -0.239 12.838 4.815 1.00 0.00 O ATOM 0 HA TYR A 3 -5.765 13.983 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.272 13.971 5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.336 12.568 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.094 15.081 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.338 11.494 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.629 14.801 5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.881 11.180 3.576 1.00 0.00 H new ATOM 0 HH TYR A 3 0.111 13.426 5.517 1.00 0.00 H new ATOM 50 N GLY A 4 -8.350 13.505 2.586 1.00 0.00 N ATOM 51 CA GLY A 4 -9.778 13.544 2.334 1.00 0.00 C ATOM 52 C GLY A 4 -10.401 12.152 2.319 1.00 0.00 C ATOM 53 O GLY A 4 -9.691 11.148 2.325 1.00 0.00 O ATOM 0 H GLY A 4 -7.926 12.586 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.264 14.149 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.963 14.033 1.377 1.00 0.00 H new ATOM 57 N ARG A 5 -11.739 12.103 2.299 1.00 0.00 N ATOM 58 CA ARG A 5 -12.497 10.865 2.289 1.00 0.00 C ATOM 59 C ARG A 5 -12.252 10.075 1.001 1.00 0.00 C ATOM 60 O ARG A 5 -11.991 10.659 -0.052 1.00 0.00 O ATOM 61 CB ARG A 5 -13.987 11.181 2.460 1.00 0.00 C ATOM 62 CG ARG A 5 -14.535 11.971 1.265 1.00 0.00 C ATOM 63 CD ARG A 5 -15.949 12.474 1.551 1.00 0.00 C ATOM 64 NE ARG A 5 -16.895 11.366 1.726 1.00 0.00 N ATOM 65 CZ ARG A 5 -18.067 11.483 2.354 1.00 0.00 C ATOM 66 NH1 ARG A 5 -18.450 12.648 2.869 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.866 10.425 2.465 1.00 0.00 N ATOM 0 H ARG A 5 -12.325 12.938 2.289 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.164 10.242 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.547 10.252 2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.136 11.754 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.880 12.815 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.541 11.339 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.941 13.091 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.282 13.110 0.731 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.642 10.454 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.846 13.465 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.348 12.724 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.582 9.528 2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.762 10.511 2.944 1.00 0.00 H new ATOM 81 N PRO A 6 -12.343 8.742 1.085 1.00 0.00 N ATOM 82 CA PRO A 6 -12.272 7.830 -0.045 1.00 0.00 C ATOM 83 C PRO A 6 -13.286 8.179 -1.139 1.00 0.00 C ATOM 84 O PRO A 6 -14.264 8.875 -0.876 1.00 0.00 O ATOM 85 CB PRO A 6 -12.572 6.444 0.530 1.00 0.00 C ATOM 86 CG PRO A 6 -12.182 6.571 1.998 1.00 0.00 C ATOM 87 CD PRO A 6 -12.517 8.023 2.332 1.00 0.00 C ATOM 0 HA PRO A 6 -11.292 7.885 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.624 6.182 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.994 5.668 0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.742 5.876 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.124 6.358 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.537 8.118 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.858 8.412 3.108 1.00 0.00 H new ATOM 95 N PRO A 7 -13.065 7.698 -2.373 1.00 0.00 N ATOM 96 CA PRO A 7 -13.992 7.908 -3.471 1.00 0.00 C ATOM 97 C PRO A 7 -15.275 7.101 -3.242 1.00 0.00 C ATOM 98 O PRO A 7 -15.268 6.123 -2.491 1.00 0.00 O ATOM 99 CB PRO A 7 -13.237 7.448 -4.718 1.00 0.00 C ATOM 100 CG PRO A 7 -12.249 6.408 -4.195 1.00 0.00 C ATOM 101 CD PRO A 7 -11.912 6.922 -2.795 1.00 0.00 C ATOM 0 HA PRO A 7 -14.308 8.947 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.913 7.019 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.722 8.279 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.691 5.412 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.362 6.343 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.724 6.096 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.011 7.536 -2.810 1.00 0.00 H new ATOM 109 N PRO A 8 -16.381 7.498 -3.885 1.00 0.00 N ATOM 110 CA PRO A 8 -17.701 6.905 -3.719 1.00 0.00 C ATOM 111 C PRO A 8 -17.851 5.566 -4.443 1.00 0.00 C ATOM 112 O PRO A 8 -18.979 5.148 -4.712 1.00 0.00 O ATOM 113 CB PRO A 8 -18.661 7.944 -4.300 1.00 0.00 C ATOM 114 CG PRO A 8 -17.838 8.568 -5.423 1.00 0.00 C ATOM 115 CD PRO A 8 -16.430 8.605 -4.826 1.00 0.00 C ATOM 0 HA PRO A 8 -17.896 6.676 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.576 7.485 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.957 8.683 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.876 7.970 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.195 9.565 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.672 8.496 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.240 9.555 -4.326 1.00 0.00 H new ATOM 123 N ASP A 9 -16.751 4.882 -4.766 1.00 0.00 N ATOM 124 CA ASP A 9 -16.807 3.654 -5.552 1.00 0.00 C ATOM 125 C ASP A 9 -15.911 2.560 -4.969 1.00 0.00 C ATOM 126 O ASP A 9 -15.677 1.540 -5.616 1.00 0.00 O ATOM 127 CB ASP A 9 -16.444 3.982 -7.004 1.00 0.00 C ATOM 128 CG ASP A 9 -16.752 2.824 -7.949 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.871 2.272 -7.856 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.859 2.501 -8.765 1.00 0.00 O ATOM 0 H ASP A 9 -15.809 5.162 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.820 3.253 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.995 4.867 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.384 4.227 -7.066 1.00 0.00 H new ATOM 135 N VAL A 10 -15.401 2.754 -3.748 1.00 0.00 N ATOM 136 CA VAL A 10 -14.570 1.745 -3.093 1.00 0.00 C ATOM 137 C VAL A 10 -15.355 0.463 -2.821 1.00 0.00 C ATOM 138 O VAL A 10 -14.766 -0.558 -2.476 1.00 0.00 O ATOM 139 CB VAL A 10 -13.979 2.279 -1.786 1.00 0.00 C ATOM 140 CG1 VAL A 10 -13.016 3.427 -2.065 1.00 0.00 C ATOM 141 CG2 VAL A 10 -15.073 2.757 -0.836 1.00 0.00 C ATOM 0 H VAL A 10 -15.550 3.599 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.754 1.511 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.440 1.458 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.605 3.794 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.205 3.075 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.548 4.234 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.620 3.130 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.643 3.556 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.739 1.927 -0.601 1.00 0.00 H new ATOM 151 N GLU A 11 -16.681 0.505 -2.978 1.00 0.00 N ATOM 152 CA GLU A 11 -17.543 -0.655 -2.769 1.00 0.00 C ATOM 153 C GLU A 11 -17.481 -1.620 -3.956 1.00 0.00 C ATOM 154 O GLU A 11 -18.141 -2.659 -3.947 1.00 0.00 O ATOM 155 CB GLU A 11 -18.987 -0.183 -2.575 1.00 0.00 C ATOM 156 CG GLU A 11 -19.070 0.782 -1.391 1.00 0.00 C ATOM 157 CD GLU A 11 -20.515 1.203 -1.139 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.943 2.206 -1.756 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.185 0.524 -0.331 1.00 0.00 O ATOM 0 H GLU A 11 -17.185 1.348 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.194 -1.184 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.342 0.309 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.638 -1.040 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.664 0.306 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.459 1.662 -1.589 1.00 0.00 H new ATOM 166 N GLY A 12 -16.691 -1.277 -4.976 1.00 0.00 N ATOM 167 CA GLY A 12 -16.565 -2.070 -6.188 1.00 0.00 C ATOM 168 C GLY A 12 -15.269 -1.756 -6.931 1.00 0.00 C ATOM 169 O GLY A 12 -15.227 -1.855 -8.157 1.00 0.00 O ATOM 0 H GLY A 12 -16.118 -0.433 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.593 -3.130 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.416 -1.876 -6.841 1.00 0.00 H new ATOM 173 N MET A 13 -14.217 -1.379 -6.195 1.00 0.00 N ATOM 174 CA MET A 13 -12.935 -0.996 -6.772 1.00 0.00 C ATOM 175 C MET A 13 -11.792 -1.485 -5.876 1.00 0.00 C ATOM 176 O MET A 13 -12.017 -1.817 -4.712 1.00 0.00 O ATOM 177 CB MET A 13 -12.930 0.526 -6.944 1.00 0.00 C ATOM 178 CG MET A 13 -11.707 1.032 -7.706 1.00 0.00 C ATOM 179 SD MET A 13 -11.874 2.736 -8.298 1.00 0.00 S ATOM 180 CE MET A 13 -12.322 3.571 -6.753 1.00 0.00 C ATOM 0 H MET A 13 -14.237 -1.333 -5.176 1.00 0.00 H new ATOM 0 HA MET A 13 -12.788 -1.459 -7.748 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.833 0.830 -7.473 1.00 0.00 H new ATOM 0 HB3 MET A 13 -12.961 0.998 -5.962 1.00 0.00 H new ATOM 0 HG2 MET A 13 -10.833 0.965 -7.058 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.523 0.377 -8.558 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.070 4.629 -6.825 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.393 3.464 -6.579 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.773 3.123 -5.925 1.00 0.00 H new ATOM 190 N THR A 14 -10.572 -1.531 -6.416 1.00 0.00 N ATOM 191 CA THR A 14 -9.404 -2.034 -5.702 1.00 0.00 C ATOM 192 C THR A 14 -9.199 -1.271 -4.390 1.00 0.00 C ATOM 193 O THR A 14 -9.588 -0.110 -4.275 1.00 0.00 O ATOM 194 CB THR A 14 -8.167 -1.921 -6.604 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.491 -2.305 -7.924 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.032 -2.815 -6.111 1.00 0.00 C ATOM 0 H THR A 14 -10.369 -1.218 -7.365 1.00 0.00 H new ATOM 0 HA THR A 14 -9.563 -3.082 -5.450 1.00 0.00 H new ATOM 0 HB THR A 14 -7.841 -0.881 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.748 -2.079 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.172 -2.710 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.750 -2.521 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.362 -3.854 -6.107 1.00 0.00 H new ATOM 203 N SER A 15 -8.587 -1.932 -3.400 1.00 0.00 N ATOM 204 CA SER A 15 -8.394 -1.381 -2.063 1.00 0.00 C ATOM 205 C SER A 15 -7.110 -1.934 -1.449 1.00 0.00 C ATOM 206 O SER A 15 -7.125 -2.471 -0.343 1.00 0.00 O ATOM 207 CB SER A 15 -9.595 -1.722 -1.179 1.00 0.00 C ATOM 208 OG SER A 15 -10.760 -1.079 -1.651 1.00 0.00 O ATOM 0 H SER A 15 -8.210 -2.873 -3.511 1.00 0.00 H new ATOM 0 HA SER A 15 -8.308 -0.297 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.749 -2.801 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.396 -1.416 -0.152 1.00 0.00 H new ATOM 0 HG SER A 15 -11.518 -1.310 -1.074 1.00 0.00 H new ATOM 214 N LEU A 16 -5.993 -1.804 -2.170 1.00 0.00 N ATOM 215 CA LEU A 16 -4.704 -2.343 -1.761 1.00 0.00 C ATOM 216 C LEU A 16 -4.186 -1.583 -0.552 1.00 0.00 C ATOM 217 O LEU A 16 -3.624 -0.506 -0.706 1.00 0.00 O ATOM 218 CB LEU A 16 -3.742 -2.223 -2.950 1.00 0.00 C ATOM 219 CG LEU A 16 -2.381 -2.916 -2.799 1.00 0.00 C ATOM 220 CD1 LEU A 16 -1.371 -2.037 -2.071 1.00 0.00 C ATOM 221 CD2 LEU A 16 -2.488 -4.269 -2.098 1.00 0.00 C ATOM 0 H LEU A 16 -5.964 -1.315 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.795 -3.391 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.237 -2.630 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.567 -1.164 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.025 -3.089 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.422 -2.567 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.222 -1.113 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.745 -1.801 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.497 -4.716 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.906 -4.130 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.137 -4.927 -2.675 1.00 0.00 H new ATOM 233 N LYS A 17 -4.380 -2.147 0.647 1.00 0.00 N ATOM 234 CA LYS A 17 -3.976 -1.529 1.899 1.00 0.00 C ATOM 235 C LYS A 17 -2.488 -1.748 2.175 1.00 0.00 C ATOM 236 O LYS A 17 -1.895 -2.707 1.686 1.00 0.00 O ATOM 237 CB LYS A 17 -4.860 -2.073 3.030 1.00 0.00 C ATOM 238 CG LYS A 17 -4.260 -1.976 4.433 1.00 0.00 C ATOM 239 CD LYS A 17 -5.317 -2.438 5.438 1.00 0.00 C ATOM 240 CE LYS A 17 -4.775 -2.445 6.863 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.350 -1.103 7.305 1.00 0.00 N ATOM 0 H LYS A 17 -4.828 -3.056 0.767 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.115 -0.450 1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.807 -1.534 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.086 -3.119 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.367 -2.597 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.955 -0.951 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.185 -1.781 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.658 -3.439 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.542 -2.822 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.930 -3.131 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.068 -1.140 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.543 -0.787 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.138 -0.434 7.192 1.00 0.00 H new ATOM 255 N VAL A 18 -1.895 -0.850 2.967 1.00 0.00 N ATOM 256 CA VAL A 18 -0.508 -0.920 3.402 1.00 0.00 C ATOM 257 C VAL A 18 -0.445 -0.600 4.894 1.00 0.00 C ATOM 258 O VAL A 18 -1.101 0.348 5.333 1.00 0.00 O ATOM 259 CB VAL A 18 0.296 0.126 2.637 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.725 0.220 3.164 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.301 -0.122 1.125 1.00 0.00 C ATOM 0 H VAL A 18 -2.386 -0.033 3.330 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.103 -1.915 3.216 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.204 1.079 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.273 0.974 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.707 0.499 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.218 -0.746 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.888 0.652 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.740 -1.098 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.722 -0.097 0.749 1.00 0.00 H new ATOM 271 N ASP A 19 0.337 -1.382 5.650 1.00 0.00 N ATOM 272 CA ASP A 19 0.418 -1.289 7.105 1.00 0.00 C ATOM 273 C ASP A 19 1.732 -1.866 7.666 1.00 0.00 C ATOM 274 O ASP A 19 2.601 -2.312 6.917 1.00 0.00 O ATOM 275 CB ASP A 19 -0.773 -2.040 7.704 1.00 0.00 C ATOM 276 CG ASP A 19 -0.748 -3.535 7.387 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.187 -3.895 6.272 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.296 -4.301 8.265 1.00 0.00 O ATOM 0 H ASP A 19 0.938 -2.106 5.257 1.00 0.00 H new ATOM 0 HA ASP A 19 0.397 -0.234 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.778 -1.902 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.698 -1.608 7.324 1.00 0.00 H new ATOM 283 N ASN A 20 1.856 -1.844 9.002 1.00 0.00 N ATOM 284 CA ASN A 20 2.935 -2.428 9.805 1.00 0.00 C ATOM 285 C ASN A 20 4.189 -1.550 9.919 1.00 0.00 C ATOM 286 O ASN A 20 5.163 -1.955 10.549 1.00 0.00 O ATOM 287 CB ASN A 20 3.273 -3.846 9.326 1.00 0.00 C ATOM 288 CG ASN A 20 3.800 -4.712 10.461 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.023 -5.295 11.210 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.117 -4.810 10.609 1.00 0.00 N ATOM 0 H ASN A 20 1.157 -1.386 9.587 1.00 0.00 H new ATOM 0 HA ASN A 20 2.545 -2.488 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.383 -4.308 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.018 -3.794 8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.505 -5.381 11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.740 -4.314 9.972 1.00 0.00 H new ATOM 297 N LEU A 21 4.185 -0.356 9.318 1.00 0.00 N ATOM 298 CA LEU A 21 5.277 0.602 9.415 1.00 0.00 C ATOM 299 C LEU A 21 5.600 0.996 10.861 1.00 0.00 C ATOM 300 O LEU A 21 4.901 0.611 11.795 1.00 0.00 O ATOM 301 CB LEU A 21 4.989 1.817 8.519 1.00 0.00 C ATOM 302 CG LEU A 21 3.635 2.520 8.695 1.00 0.00 C ATOM 303 CD1 LEU A 21 2.473 1.691 8.158 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.336 2.911 10.138 1.00 0.00 C ATOM 0 H LEU A 21 3.409 -0.028 8.743 1.00 0.00 H new ATOM 0 HA LEU A 21 6.182 0.117 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.775 2.553 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.069 1.496 7.480 1.00 0.00 H new ATOM 0 HG LEU A 21 3.729 3.433 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.539 2.234 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.619 1.506 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.429 0.740 8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.364 3.403 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.323 2.017 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.107 3.593 10.497 1.00 0.00 H new ATOM 316 N THR A 22 6.677 1.769 11.048 1.00 0.00 N ATOM 317 CA THR A 22 7.194 2.093 12.374 1.00 0.00 C ATOM 318 C THR A 22 6.291 3.056 13.135 1.00 0.00 C ATOM 319 O THR A 22 5.379 3.661 12.581 1.00 0.00 O ATOM 320 CB THR A 22 8.587 2.723 12.271 1.00 0.00 C ATOM 321 OG1 THR A 22 8.473 4.032 11.761 1.00 0.00 O ATOM 322 CG2 THR A 22 9.523 1.919 11.376 1.00 0.00 C ATOM 0 H THR A 22 7.210 2.184 10.284 1.00 0.00 H new ATOM 0 HA THR A 22 7.237 1.151 12.920 1.00 0.00 H new ATOM 0 HB THR A 22 9.014 2.734 13.274 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.363 4.436 11.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.497 2.407 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.638 0.913 11.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.105 1.861 10.371 1.00 0.00 H new ATOM 329 N TYR A 23 6.563 3.202 14.435 1.00 0.00 N ATOM 330 CA TYR A 23 5.878 4.162 15.292 1.00 0.00 C ATOM 331 C TYR A 23 6.390 5.587 15.046 1.00 0.00 C ATOM 332 O TYR A 23 6.078 6.494 15.817 1.00 0.00 O ATOM 333 CB TYR A 23 6.078 3.745 16.750 1.00 0.00 C ATOM 334 CG TYR A 23 7.521 3.766 17.220 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.344 2.648 17.007 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.032 4.900 17.868 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.679 2.665 17.435 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.369 4.925 18.292 1.00 0.00 C ATOM 339 CZ TYR A 23 10.199 3.809 18.077 1.00 0.00 C ATOM 340 OH TYR A 23 11.500 3.835 18.487 1.00 0.00 O ATOM 0 H TYR A 23 7.270 2.651 14.922 1.00 0.00 H new ATOM 0 HA TYR A 23 4.813 4.165 15.058 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.492 4.407 17.387 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.680 2.739 16.885 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.948 1.773 16.513 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.395 5.755 18.041 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.309 1.803 17.273 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.762 5.802 18.784 1.00 0.00 H new ATOM 0 HH TYR A 23 11.693 4.698 18.909 1.00 0.00 H new ATOM 350 N ARG A 24 7.173 5.786 13.977 1.00 0.00 N ATOM 351 CA ARG A 24 7.799 7.066 13.654 1.00 0.00 C ATOM 352 C ARG A 24 7.498 7.491 12.220 1.00 0.00 C ATOM 353 O ARG A 24 7.781 8.626 11.843 1.00 0.00 O ATOM 354 CB ARG A 24 9.313 6.944 13.845 1.00 0.00 C ATOM 355 CG ARG A 24 9.711 6.628 15.288 1.00 0.00 C ATOM 356 CD ARG A 24 9.245 7.727 16.244 1.00 0.00 C ATOM 357 NE ARG A 24 9.856 9.022 15.921 1.00 0.00 N ATOM 358 CZ ARG A 24 9.548 10.167 16.540 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.645 10.191 17.522 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.145 11.298 16.180 1.00 0.00 N ATOM 0 H ARG A 24 7.390 5.049 13.306 1.00 0.00 H new ATOM 0 HA ARG A 24 7.391 7.826 14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.694 6.161 13.189 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.788 7.876 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.277 5.674 15.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.794 6.520 15.354 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.160 7.815 16.196 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.498 7.450 17.268 1.00 0.00 H new ATOM 0 HE ARG A 24 10.557 9.050 15.181 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.180 9.329 17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.419 11.071 17.986 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.838 11.293 15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.910 12.171 16.652 1.00 0.00 H new ATOM 374 N THR A 25 6.926 6.589 11.418 1.00 0.00 N ATOM 375 CA THR A 25 6.494 6.903 10.061 1.00 0.00 C ATOM 376 C THR A 25 5.296 7.850 10.121 1.00 0.00 C ATOM 377 O THR A 25 4.674 8.001 11.175 1.00 0.00 O ATOM 378 CB THR A 25 6.147 5.596 9.340 1.00 0.00 C ATOM 379 OG1 THR A 25 7.277 4.755 9.340 1.00 0.00 O ATOM 380 CG2 THR A 25 5.738 5.814 7.886 1.00 0.00 C ATOM 0 H THR A 25 6.751 5.623 11.694 1.00 0.00 H new ATOM 0 HA THR A 25 7.288 7.402 9.506 1.00 0.00 H new ATOM 0 HB THR A 25 5.305 5.155 9.874 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.513 4.525 10.263 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.504 4.854 7.426 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.860 6.459 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.558 6.285 7.344 1.00 0.00 H new ATOM 387 N SER A 26 4.964 8.488 8.999 1.00 0.00 N ATOM 388 CA SER A 26 3.890 9.469 8.922 1.00 0.00 C ATOM 389 C SER A 26 3.102 9.247 7.631 1.00 0.00 C ATOM 390 O SER A 26 3.584 8.569 6.725 1.00 0.00 O ATOM 391 CB SER A 26 4.511 10.866 8.953 1.00 0.00 C ATOM 392 OG SER A 26 5.213 11.059 10.165 1.00 0.00 O ATOM 0 H SER A 26 5.440 8.334 8.110 1.00 0.00 H new ATOM 0 HA SER A 26 3.205 9.365 9.763 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.188 10.990 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.732 11.621 8.851 1.00 0.00 H new ATOM 0 HG SER A 26 5.608 11.956 10.175 1.00 0.00 H new ATOM 398 N PRO A 27 1.888 9.798 7.516 1.00 0.00 N ATOM 399 CA PRO A 27 1.057 9.585 6.343 1.00 0.00 C ATOM 400 C PRO A 27 1.619 10.333 5.131 1.00 0.00 C ATOM 401 O PRO A 27 1.312 9.981 3.994 1.00 0.00 O ATOM 402 CB PRO A 27 -0.331 10.092 6.739 1.00 0.00 C ATOM 403 CG PRO A 27 -0.035 11.162 7.790 1.00 0.00 C ATOM 404 CD PRO A 27 1.225 10.651 8.485 1.00 0.00 C ATOM 0 HA PRO A 27 1.023 8.537 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.866 10.506 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.950 9.292 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.128 12.138 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.862 11.273 8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.869 11.477 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.976 10.096 9.390 1.00 0.00 H new ATOM 412 N ASP A 28 2.443 11.358 5.363 1.00 0.00 N ATOM 413 CA ASP A 28 3.072 12.105 4.288 1.00 0.00 C ATOM 414 C ASP A 28 4.197 11.298 3.649 1.00 0.00 C ATOM 415 O ASP A 28 4.434 11.414 2.449 1.00 0.00 O ATOM 416 CB ASP A 28 3.638 13.408 4.848 1.00 0.00 C ATOM 417 CG ASP A 28 4.353 14.217 3.768 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.651 14.938 3.023 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.599 14.108 3.692 1.00 0.00 O ATOM 0 H ASP A 28 2.687 11.686 6.297 1.00 0.00 H new ATOM 0 HA ASP A 28 2.323 12.316 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.831 14.003 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.333 13.186 5.658 1.00 0.00 H new ATOM 424 N THR A 29 4.898 10.478 4.441 1.00 0.00 N ATOM 425 CA THR A 29 6.008 9.698 3.912 1.00 0.00 C ATOM 426 C THR A 29 5.473 8.545 3.093 1.00 0.00 C ATOM 427 O THR A 29 6.052 8.215 2.064 1.00 0.00 O ATOM 428 CB THR A 29 6.894 9.134 5.027 1.00 0.00 C ATOM 429 OG1 THR A 29 6.279 9.223 6.297 1.00 0.00 O ATOM 430 CG2 THR A 29 8.214 9.892 5.075 1.00 0.00 C ATOM 0 H THR A 29 4.715 10.343 5.435 1.00 0.00 H new ATOM 0 HA THR A 29 6.611 10.365 3.296 1.00 0.00 H new ATOM 0 HB THR A 29 7.060 8.081 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.393 8.805 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.838 9.485 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.729 9.787 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.021 10.947 5.269 1.00 0.00 H new ATOM 437 N LEU A 30 4.373 7.933 3.535 1.00 0.00 N ATOM 438 CA LEU A 30 3.793 6.813 2.822 1.00 0.00 C ATOM 439 C LEU A 30 3.140 7.298 1.537 1.00 0.00 C ATOM 440 O LEU A 30 3.248 6.635 0.510 1.00 0.00 O ATOM 441 CB LEU A 30 2.767 6.104 3.702 1.00 0.00 C ATOM 442 CG LEU A 30 3.393 5.594 5.001 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.272 5.120 5.919 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.343 4.430 4.706 1.00 0.00 C ATOM 0 H LEU A 30 3.873 8.200 4.383 1.00 0.00 H new ATOM 0 HA LEU A 30 4.583 6.106 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.952 6.789 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.333 5.268 3.154 1.00 0.00 H new ATOM 0 HG LEU A 30 3.961 6.393 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.697 4.752 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.599 5.951 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.717 4.318 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.783 4.075 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.789 3.619 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.134 4.767 4.036 1.00 0.00 H new ATOM 456 N ARG A 31 2.465 8.453 1.576 1.00 0.00 N ATOM 457 CA ARG A 31 1.873 9.022 0.373 1.00 0.00 C ATOM 458 C ARG A 31 2.939 9.135 -0.710 1.00 0.00 C ATOM 459 O ARG A 31 2.685 8.793 -1.858 1.00 0.00 O ATOM 460 CB ARG A 31 1.265 10.388 0.716 1.00 0.00 C ATOM 461 CG ARG A 31 0.994 11.250 -0.519 1.00 0.00 C ATOM 462 CD ARG A 31 0.010 10.590 -1.487 1.00 0.00 C ATOM 463 NE ARG A 31 0.051 11.261 -2.792 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.007 11.565 -3.547 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.244 11.270 -3.154 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.820 12.174 -4.714 1.00 0.00 N ATOM 0 H ARG A 31 2.319 9.003 2.422 1.00 0.00 H new ATOM 0 HA ARG A 31 1.078 8.379 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.332 10.238 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.940 10.923 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.598 12.216 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.934 11.444 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.258 9.535 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.999 10.637 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 31 0.969 11.518 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.397 10.803 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.039 11.511 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.124 12.404 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.621 12.411 -5.300 1.00 0.00 H new ATOM 480 N ARG A 32 4.129 9.610 -0.333 1.00 0.00 N ATOM 481 CA ARG A 32 5.229 9.859 -1.255 1.00 0.00 C ATOM 482 C ARG A 32 5.860 8.590 -1.795 1.00 0.00 C ATOM 483 O ARG A 32 5.946 8.398 -3.005 1.00 0.00 O ATOM 484 CB ARG A 32 6.299 10.579 -0.435 1.00 0.00 C ATOM 485 CG ARG A 32 7.589 10.803 -1.221 1.00 0.00 C ATOM 486 CD ARG A 32 8.580 11.596 -0.371 1.00 0.00 C ATOM 487 NE ARG A 32 8.117 12.975 -0.150 1.00 0.00 N ATOM 488 CZ ARG A 32 7.521 13.418 0.963 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.319 12.616 2.007 1.00 0.00 N ATOM 490 NH2 ARG A 32 7.119 14.682 1.048 1.00 0.00 N ATOM 0 H ARG A 32 4.354 9.834 0.636 1.00 0.00 H new ATOM 0 HA ARG A 32 4.850 10.422 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.910 11.541 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.519 9.996 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.024 9.845 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.375 11.342 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.717 11.099 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.552 11.612 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 32 8.262 13.646 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.621 11.642 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.863 12.975 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.265 15.317 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.665 15.017 1.898 1.00 0.00 H new ATOM 504 N VAL A 33 6.307 7.723 -0.887 1.00 0.00 N ATOM 505 CA VAL A 33 7.060 6.547 -1.273 1.00 0.00 C ATOM 506 C VAL A 33 6.187 5.578 -2.054 1.00 0.00 C ATOM 507 O VAL A 33 6.703 4.807 -2.855 1.00 0.00 O ATOM 508 CB VAL A 33 7.661 5.916 -0.014 1.00 0.00 C ATOM 509 CG1 VAL A 33 6.547 5.413 0.886 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.649 4.812 -0.371 1.00 0.00 C ATOM 0 H VAL A 33 6.157 7.819 0.117 1.00 0.00 H new ATOM 0 HA VAL A 33 7.875 6.823 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 33 8.224 6.674 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.977 4.964 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.905 6.246 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.958 4.666 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.060 4.382 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.137 4.035 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.458 5.228 -0.972 1.00 0.00 H new ATOM 520 N PHE A 34 4.866 5.610 -1.840 1.00 0.00 N ATOM 521 CA PHE A 34 3.942 4.771 -2.590 1.00 0.00 C ATOM 522 C PHE A 34 3.470 5.475 -3.859 1.00 0.00 C ATOM 523 O PHE A 34 2.914 4.840 -4.752 1.00 0.00 O ATOM 524 CB PHE A 34 2.757 4.381 -1.708 1.00 0.00 C ATOM 525 CG PHE A 34 3.116 3.239 -0.786 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.758 3.485 0.432 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.830 1.921 -1.170 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.152 2.423 1.250 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.210 0.852 -0.347 1.00 0.00 C ATOM 530 CZ PHE A 34 3.880 1.105 0.859 1.00 0.00 C ATOM 0 H PHE A 34 4.418 6.213 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 34 4.464 3.863 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.440 5.242 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.912 4.095 -2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.950 4.502 0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.317 1.729 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.665 2.617 2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.988 -0.163 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.187 0.282 1.488 1.00 0.00 H new ATOM 540 N GLU A 35 3.690 6.791 -3.950 1.00 0.00 N ATOM 541 CA GLU A 35 3.338 7.568 -5.132 1.00 0.00 C ATOM 542 C GLU A 35 4.044 7.062 -6.389 1.00 0.00 C ATOM 543 O GLU A 35 3.579 7.305 -7.501 1.00 0.00 O ATOM 544 CB GLU A 35 3.687 9.045 -4.906 1.00 0.00 C ATOM 545 CG GLU A 35 2.786 9.956 -5.728 1.00 0.00 C ATOM 546 CD GLU A 35 3.021 11.422 -5.379 1.00 0.00 C ATOM 547 OE1 GLU A 35 4.089 11.953 -5.757 1.00 0.00 O ATOM 548 OE2 GLU A 35 2.122 12.000 -4.725 1.00 0.00 O ATOM 0 H GLU A 35 4.117 7.342 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 35 2.265 7.455 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.586 9.287 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.729 9.220 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.975 9.797 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.742 9.699 -5.548 1.00 0.00 H new ATOM 555 N LYS A 36 5.169 6.350 -6.233 1.00 0.00 N ATOM 556 CA LYS A 36 5.957 5.880 -7.367 1.00 0.00 C ATOM 557 C LYS A 36 5.441 4.553 -7.913 1.00 0.00 C ATOM 558 O LYS A 36 5.718 4.202 -9.061 1.00 0.00 O ATOM 559 CB LYS A 36 7.419 5.759 -6.935 1.00 0.00 C ATOM 560 CG LYS A 36 7.673 4.497 -6.105 1.00 0.00 C ATOM 561 CD LYS A 36 9.125 4.419 -5.635 1.00 0.00 C ATOM 562 CE LYS A 36 9.455 5.573 -4.690 1.00 0.00 C ATOM 563 NZ LYS A 36 10.838 5.479 -4.183 1.00 0.00 N ATOM 0 H LYS A 36 5.550 6.089 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 36 5.868 6.604 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.057 5.746 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.698 6.637 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.009 4.489 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.434 3.615 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.297 3.469 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.792 4.447 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.321 6.521 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.758 5.569 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.029 6.278 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.958 4.585 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.503 5.508 -4.982 1.00 0.00 H new ATOM 577 N TYR A 37 4.693 3.815 -7.092 1.00 0.00 N ATOM 578 CA TYR A 37 4.143 2.527 -7.488 1.00 0.00 C ATOM 579 C TYR A 37 2.863 2.716 -8.286 1.00 0.00 C ATOM 580 O TYR A 37 2.443 1.805 -8.996 1.00 0.00 O ATOM 581 CB TYR A 37 3.840 1.695 -6.236 1.00 0.00 C ATOM 582 CG TYR A 37 5.080 1.312 -5.466 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.693 2.246 -4.622 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.614 0.025 -5.602 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.847 1.901 -3.906 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.772 -0.326 -4.899 1.00 0.00 C ATOM 587 CZ TYR A 37 7.402 0.613 -4.055 1.00 0.00 C ATOM 588 OH TYR A 37 8.544 0.274 -3.392 1.00 0.00 O ATOM 0 H TYR A 37 4.455 4.095 -6.140 1.00 0.00 H new ATOM 0 HA TYR A 37 4.874 2.011 -8.111 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.174 2.260 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.307 0.790 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.275 3.237 -4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.134 -0.695 -6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.309 2.618 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.185 -1.319 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 37 8.786 -0.651 -3.608 1.00 0.00 H new ATOM 598 N GLY A 38 2.242 3.894 -8.179 1.00 0.00 N ATOM 599 CA GLY A 38 1.015 4.174 -8.892 1.00 0.00 C ATOM 600 C GLY A 38 0.117 5.104 -8.096 1.00 0.00 C ATOM 601 O GLY A 38 0.559 5.853 -7.227 1.00 0.00 O ATOM 0 H GLY A 38 2.578 4.664 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.247 4.626 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.488 3.241 -9.095 1.00 0.00 H new ATOM 605 N ARG A 39 -1.173 5.032 -8.421 1.00 0.00 N ATOM 606 CA ARG A 39 -2.224 5.848 -7.843 1.00 0.00 C ATOM 607 C ARG A 39 -2.452 5.528 -6.367 1.00 0.00 C ATOM 608 O ARG A 39 -3.299 4.711 -6.013 1.00 0.00 O ATOM 609 CB ARG A 39 -3.491 5.736 -8.703 1.00 0.00 C ATOM 610 CG ARG A 39 -4.171 4.365 -8.625 1.00 0.00 C ATOM 611 CD ARG A 39 -5.063 4.144 -9.841 1.00 0.00 C ATOM 612 NE ARG A 39 -4.250 3.850 -11.025 1.00 0.00 N ATOM 613 CZ ARG A 39 -4.679 3.978 -12.285 1.00 0.00 C ATOM 614 NH1 ARG A 39 -5.911 4.404 -12.545 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.864 3.674 -13.293 1.00 0.00 N ATOM 0 H ARG A 39 -1.521 4.377 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.915 6.893 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.201 6.502 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.234 5.945 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.416 3.580 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.765 4.298 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.751 3.320 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.670 5.031 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.294 3.526 -10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.542 4.638 -11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.225 4.497 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.917 3.345 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.186 3.770 -14.256 1.00 0.00 H new ATOM 629 N VAL A 40 -1.685 6.185 -5.500 1.00 0.00 N ATOM 630 CA VAL A 40 -1.916 6.210 -4.059 1.00 0.00 C ATOM 631 C VAL A 40 -3.152 7.079 -3.810 1.00 0.00 C ATOM 632 O VAL A 40 -3.138 8.036 -3.037 1.00 0.00 O ATOM 633 CB VAL A 40 -0.662 6.706 -3.343 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.180 8.039 -3.910 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.877 6.779 -1.828 1.00 0.00 C ATOM 0 H VAL A 40 -0.869 6.726 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.112 5.217 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 40 0.128 5.977 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.714 8.360 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.053 7.921 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.962 8.789 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.034 7.136 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.695 7.466 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.124 5.788 -1.447 1.00 0.00 H new ATOM 645 N GLY A 41 -4.244 6.731 -4.492 1.00 0.00 N ATOM 646 CA GLY A 41 -5.476 7.504 -4.548 1.00 0.00 C ATOM 647 C GLY A 41 -6.104 7.762 -3.178 1.00 0.00 C ATOM 648 O GLY A 41 -6.995 8.599 -3.073 1.00 0.00 O ATOM 0 H GLY A 41 -4.292 5.871 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.273 8.460 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.196 6.978 -5.174 1.00 0.00 H new ATOM 652 N ASP A 42 -5.657 7.063 -2.133 1.00 0.00 N ATOM 653 CA ASP A 42 -6.148 7.306 -0.784 1.00 0.00 C ATOM 654 C ASP A 42 -5.092 6.866 0.222 1.00 0.00 C ATOM 655 O ASP A 42 -4.263 6.005 -0.070 1.00 0.00 O ATOM 656 CB ASP A 42 -7.471 6.563 -0.570 1.00 0.00 C ATOM 657 CG ASP A 42 -8.206 7.077 0.665 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.698 8.224 0.597 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.271 6.324 1.664 1.00 0.00 O ATOM 0 H ASP A 42 -4.956 6.325 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.337 8.370 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.104 6.684 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.277 5.496 -0.462 1.00 0.00 H new ATOM 664 N VAL A 43 -5.119 7.459 1.416 1.00 0.00 N ATOM 665 CA VAL A 43 -4.134 7.177 2.453 1.00 0.00 C ATOM 666 C VAL A 43 -4.702 7.600 3.797 1.00 0.00 C ATOM 667 O VAL A 43 -5.233 8.703 3.924 1.00 0.00 O ATOM 668 CB VAL A 43 -2.820 7.899 2.107 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.063 9.320 1.588 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.868 7.940 3.307 1.00 0.00 C ATOM 0 H VAL A 43 -5.823 8.145 1.688 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.913 6.111 2.511 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.354 7.321 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.108 9.791 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.675 9.279 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.580 9.903 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.951 8.457 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.345 8.469 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.630 6.923 3.618 1.00 0.00 H new ATOM 680 N TYR A 44 -4.597 6.727 4.806 1.00 0.00 N ATOM 681 CA TYR A 44 -5.146 7.013 6.125 1.00 0.00 C ATOM 682 C TYR A 44 -4.313 6.406 7.253 1.00 0.00 C ATOM 683 O TYR A 44 -3.524 5.492 7.030 1.00 0.00 O ATOM 684 CB TYR A 44 -6.586 6.520 6.194 1.00 0.00 C ATOM 685 CG TYR A 44 -7.371 7.230 7.272 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.425 8.633 7.286 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.044 6.492 8.253 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.134 9.297 8.297 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.758 7.148 9.264 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.801 8.556 9.290 1.00 0.00 C ATOM 691 OH TYR A 44 -9.490 9.206 10.271 1.00 0.00 O ATOM 0 H TYR A 44 -4.137 5.820 4.729 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.119 8.093 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.070 6.675 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.594 5.447 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.920 9.201 6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.013 5.413 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.168 10.376 8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.274 6.576 10.021 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.894 8.550 10.877 1.00 0.00 H new ATOM 701 N ILE A 45 -4.506 6.929 8.471 1.00 0.00 N ATOM 702 CA ILE A 45 -3.904 6.446 9.710 1.00 0.00 C ATOM 703 C ILE A 45 -4.940 6.668 10.810 1.00 0.00 C ATOM 704 O ILE A 45 -4.973 7.735 11.425 1.00 0.00 O ATOM 705 CB ILE A 45 -2.582 7.165 10.028 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.536 6.839 8.953 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.072 6.713 11.398 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.181 7.467 9.265 1.00 0.00 C ATOM 0 H ILE A 45 -5.113 7.735 8.621 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.645 5.391 9.623 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.753 8.241 10.041 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.424 5.758 8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.887 7.197 7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.135 7.222 11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.811 6.958 12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.906 5.636 11.387 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.529 7.211 8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.286 8.551 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.184 7.089 10.220 1.00 0.00 H new ATOM 720 N PRO A 46 -5.794 5.666 11.063 1.00 0.00 N ATOM 721 CA PRO A 46 -6.881 5.758 12.023 1.00 0.00 C ATOM 722 C PRO A 46 -6.436 6.022 13.453 1.00 0.00 C ATOM 723 O PRO A 46 -7.185 6.608 14.234 1.00 0.00 O ATOM 724 CB PRO A 46 -7.599 4.411 11.961 1.00 0.00 C ATOM 725 CG PRO A 46 -7.164 3.802 10.631 1.00 0.00 C ATOM 726 CD PRO A 46 -5.776 4.379 10.402 1.00 0.00 C ATOM 0 HA PRO A 46 -7.510 6.608 11.759 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.318 3.773 12.799 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.681 4.536 12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.141 2.713 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.847 4.072 9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.005 3.731 10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.562 4.484 9.338 1.00 0.00 H new ATOM 734 N ARG A 47 -5.221 5.571 13.761 1.00 0.00 N ATOM 735 CA ARG A 47 -4.622 5.547 15.098 1.00 0.00 C ATOM 736 C ARG A 47 -5.702 5.591 16.184 1.00 0.00 C ATOM 737 O ARG A 47 -6.326 4.567 16.463 1.00 0.00 O ATOM 738 CB ARG A 47 -3.537 6.626 15.212 1.00 0.00 C ATOM 739 CG ARG A 47 -3.974 8.025 14.774 1.00 0.00 C ATOM 740 CD ARG A 47 -2.733 8.907 14.624 1.00 0.00 C ATOM 741 NE ARG A 47 -3.103 10.274 14.236 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.227 11.248 13.980 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.918 11.031 14.061 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.660 12.457 13.643 1.00 0.00 N ATOM 0 H ARG A 47 -4.595 5.193 13.050 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.108 4.600 15.262 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.199 6.674 16.247 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.679 6.324 14.611 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.516 7.972 13.830 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.655 8.454 15.509 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.182 8.929 15.564 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.067 8.480 13.874 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.096 10.494 14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.569 10.109 14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.262 11.787 13.862 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.661 12.641 13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.991 13.202 13.447 1.00 0.00 H new ATOM 758 N ASP A 48 -5.932 6.758 16.789 1.00 0.00 N ATOM 759 CA ASP A 48 -7.059 7.003 17.676 1.00 0.00 C ATOM 760 C ASP A 48 -7.524 8.431 17.427 1.00 0.00 C ATOM 761 O ASP A 48 -6.725 9.365 17.482 1.00 0.00 O ATOM 762 CB ASP A 48 -6.645 6.828 19.136 1.00 0.00 C ATOM 763 CG ASP A 48 -6.250 5.391 19.449 1.00 0.00 C ATOM 764 OD1 ASP A 48 -7.170 4.597 19.751 1.00 0.00 O ATOM 765 OD2 ASP A 48 -5.034 5.102 19.384 1.00 0.00 O ATOM 0 H ASP A 48 -5.327 7.570 16.671 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.862 6.293 17.478 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.808 7.490 19.357 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.468 7.127 19.785 1.00 0.00 H new ATOM 770 N ARG A 49 -8.823 8.595 17.150 1.00 0.00 N ATOM 771 CA ARG A 49 -9.401 9.871 16.741 1.00 0.00 C ATOM 772 C ARG A 49 -9.443 10.901 17.877 1.00 0.00 C ATOM 773 O ARG A 49 -10.046 11.960 17.719 1.00 0.00 O ATOM 774 CB ARG A 49 -10.790 9.601 16.143 1.00 0.00 C ATOM 775 CG ARG A 49 -11.249 10.746 15.242 1.00 0.00 C ATOM 776 CD ARG A 49 -12.601 10.416 14.611 1.00 0.00 C ATOM 777 NE ARG A 49 -13.672 10.413 15.616 1.00 0.00 N ATOM 778 CZ ARG A 49 -14.882 10.956 15.442 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.224 11.542 14.299 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.766 10.910 16.433 1.00 0.00 N ATOM 0 H ARG A 49 -9.504 7.837 17.205 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.760 10.324 15.985 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.766 8.674 15.570 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.511 9.459 16.948 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.326 11.666 15.822 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.509 10.922 14.461 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.830 11.146 13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.551 9.441 14.127 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.479 9.964 16.512 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.557 11.585 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.153 11.948 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.519 10.464 17.316 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.691 11.321 16.310 1.00 0.00 H new ATOM 794 N TYR A 50 -8.817 10.609 19.024 1.00 0.00 N ATOM 795 CA TYR A 50 -8.841 11.513 20.169 1.00 0.00 C ATOM 796 C TYR A 50 -7.530 11.532 20.948 1.00 0.00 C ATOM 797 O TYR A 50 -7.325 12.425 21.769 1.00 0.00 O ATOM 798 CB TYR A 50 -9.940 11.094 21.149 1.00 0.00 C ATOM 799 CG TYR A 50 -11.263 10.726 20.528 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.127 11.718 20.035 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.622 9.372 20.446 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.358 11.352 19.468 1.00 0.00 C ATOM 803 CE2 TYR A 50 -12.850 9.002 19.891 1.00 0.00 C ATOM 804 CZ TYR A 50 -13.724 9.994 19.397 1.00 0.00 C ATOM 805 OH TYR A 50 -14.923 9.642 18.857 1.00 0.00 O ATOM 0 H TYR A 50 -8.288 9.751 19.179 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.019 12.506 19.756 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.581 10.242 21.727 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.104 11.910 21.853 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.845 12.759 20.092 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.947 8.613 20.813 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.024 12.112 19.086 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.129 7.960 19.840 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.020 8.667 18.883 1.00 0.00 H new ATOM 815 N THR A 51 -6.641 10.563 20.711 1.00 0.00 N ATOM 816 CA THR A 51 -5.422 10.423 21.502 1.00 0.00 C ATOM 817 C THR A 51 -4.210 10.082 20.644 1.00 0.00 C ATOM 818 O THR A 51 -3.097 10.034 21.169 1.00 0.00 O ATOM 819 CB THR A 51 -5.621 9.336 22.562 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.769 8.091 21.926 1.00 0.00 O ATOM 821 CG2 THR A 51 -6.869 9.594 23.407 1.00 0.00 C ATOM 0 H THR A 51 -6.746 9.864 19.975 1.00 0.00 H new ATOM 0 HA THR A 51 -5.227 11.385 21.976 1.00 0.00 H new ATOM 0 HB THR A 51 -4.748 9.344 23.215 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.480 7.377 22.533 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.977 8.802 24.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.773 10.554 23.914 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.748 9.610 22.762 1.00 0.00 H new ATOM 828 N LYS A 52 -4.423 9.851 19.339 1.00 0.00 N ATOM 829 CA LYS A 52 -3.409 9.528 18.337 1.00 0.00 C ATOM 830 C LYS A 52 -2.285 8.599 18.817 1.00 0.00 C ATOM 831 O LYS A 52 -1.165 8.668 18.311 1.00 0.00 O ATOM 832 CB LYS A 52 -2.898 10.825 17.680 1.00 0.00 C ATOM 833 CG LYS A 52 -2.390 11.914 18.637 1.00 0.00 C ATOM 834 CD LYS A 52 -1.058 11.590 19.316 1.00 0.00 C ATOM 835 CE LYS A 52 0.059 11.449 18.282 1.00 0.00 C ATOM 836 NZ LYS A 52 1.352 11.181 18.935 1.00 0.00 N ATOM 0 H LYS A 52 -5.360 9.888 18.938 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.901 8.920 17.577 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.091 10.567 16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.704 11.246 17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.284 12.846 18.083 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.143 12.085 19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.805 12.378 20.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.151 10.666 19.886 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.179 10.639 17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.129 12.362 17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.094 11.089 18.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.587 11.966 19.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.289 10.298 19.480 1.00 0.00 H new ATOM 850 N GLU A 53 -2.567 7.736 19.794 1.00 0.00 N ATOM 851 CA GLU A 53 -1.550 6.916 20.447 1.00 0.00 C ATOM 852 C GLU A 53 -1.260 5.596 19.725 1.00 0.00 C ATOM 853 O GLU A 53 -0.594 4.728 20.292 1.00 0.00 O ATOM 854 CB GLU A 53 -1.958 6.666 21.901 1.00 0.00 C ATOM 855 CG GLU A 53 -3.209 5.784 21.997 1.00 0.00 C ATOM 856 CD GLU A 53 -3.619 5.579 23.455 1.00 0.00 C ATOM 857 OE1 GLU A 53 -2.937 4.796 24.152 1.00 0.00 O ATOM 858 OE2 GLU A 53 -4.614 6.214 23.869 1.00 0.00 O ATOM 0 H GLU A 53 -3.510 7.587 20.154 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.615 7.476 20.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.135 6.189 22.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.146 7.619 22.395 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.028 6.246 21.446 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.015 4.818 21.530 1.00 0.00 H new ATOM 865 N SER A 54 -1.748 5.430 18.489 1.00 0.00 N ATOM 866 CA SER A 54 -1.588 4.183 17.747 1.00 0.00 C ATOM 867 C SER A 54 -1.113 4.425 16.319 1.00 0.00 C ATOM 868 O SER A 54 -1.539 3.730 15.396 1.00 0.00 O ATOM 869 CB SER A 54 -2.886 3.366 17.759 1.00 0.00 C ATOM 870 OG SER A 54 -3.288 3.100 19.086 1.00 0.00 O ATOM 0 H SER A 54 -2.260 6.153 17.983 1.00 0.00 H new ATOM 0 HA SER A 54 -0.814 3.606 18.253 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.672 3.912 17.237 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.738 2.429 17.222 1.00 0.00 H new ATOM 0 HG SER A 54 -3.962 3.756 19.361 1.00 0.00 H new ATOM 876 N ARG A 55 -0.231 5.410 16.125 1.00 0.00 N ATOM 877 CA ARG A 55 0.368 5.724 14.830 1.00 0.00 C ATOM 878 C ARG A 55 1.270 4.598 14.309 1.00 0.00 C ATOM 879 O ARG A 55 1.963 4.776 13.312 1.00 0.00 O ATOM 880 CB ARG A 55 1.153 7.035 14.955 1.00 0.00 C ATOM 881 CG ARG A 55 2.392 6.871 15.847 1.00 0.00 C ATOM 882 CD ARG A 55 3.177 8.178 15.930 1.00 0.00 C ATOM 883 NE ARG A 55 3.744 8.554 14.632 1.00 0.00 N ATOM 884 CZ ARG A 55 4.564 9.593 14.449 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.924 10.366 15.471 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.032 9.865 13.239 1.00 0.00 N ATOM 0 H ARG A 55 0.090 6.020 16.877 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.434 5.833 14.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.459 7.372 13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.506 7.809 15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.088 6.560 16.846 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.031 6.083 15.449 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.522 8.974 16.285 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.979 8.075 16.661 1.00 0.00 H new ATOM 0 HE ARG A 55 3.498 7.989 13.819 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.573 10.168 16.408 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.551 11.156 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.766 9.281 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.658 10.658 13.101 1.00 0.00 H new ATOM 900 N GLY A 56 1.265 3.442 14.983 1.00 0.00 N ATOM 901 CA GLY A 56 2.110 2.298 14.659 1.00 0.00 C ATOM 902 C GLY A 56 1.691 1.567 13.385 1.00 0.00 C ATOM 903 O GLY A 56 2.224 0.498 13.096 1.00 0.00 O ATOM 0 H GLY A 56 0.658 3.277 15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.140 2.637 14.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.092 1.596 15.493 1.00 0.00 H new ATOM 907 N PHE A 57 0.743 2.116 12.618 1.00 0.00 N ATOM 908 CA PHE A 57 0.303 1.512 11.372 1.00 0.00 C ATOM 909 C PHE A 57 -0.330 2.564 10.464 1.00 0.00 C ATOM 910 O PHE A 57 -0.458 3.724 10.845 1.00 0.00 O ATOM 911 CB PHE A 57 -0.700 0.402 11.662 1.00 0.00 C ATOM 912 CG PHE A 57 -2.068 0.927 12.013 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.300 1.544 13.248 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.112 0.802 11.084 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.573 2.035 13.556 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.381 1.305 11.389 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.615 1.916 12.628 1.00 0.00 C ATOM 0 H PHE A 57 0.266 2.987 12.849 1.00 0.00 H new ATOM 0 HA PHE A 57 1.169 1.089 10.862 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.778 -0.248 10.790 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.329 -0.211 12.484 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.496 1.641 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.936 0.318 10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.753 2.507 14.511 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.181 1.222 10.669 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.598 2.295 12.867 1.00 0.00 H new ATOM 927 N ALA A 58 -0.725 2.149 9.262 1.00 0.00 N ATOM 928 CA ALA A 58 -1.423 3.005 8.318 1.00 0.00 C ATOM 929 C ALA A 58 -2.378 2.190 7.446 1.00 0.00 C ATOM 930 O ALA A 58 -2.577 0.997 7.668 1.00 0.00 O ATOM 931 CB ALA A 58 -0.412 3.752 7.446 1.00 0.00 C ATOM 0 H ALA A 58 -0.566 1.202 8.918 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.013 3.730 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.942 4.392 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.231 4.364 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.196 3.033 6.897 1.00 0.00 H new ATOM 937 N PHE A 59 -2.965 2.858 6.459 1.00 0.00 N ATOM 938 CA PHE A 59 -3.941 2.311 5.538 1.00 0.00 C ATOM 939 C PHE A 59 -3.772 3.032 4.203 1.00 0.00 C ATOM 940 O PHE A 59 -4.705 3.656 3.704 1.00 0.00 O ATOM 941 CB PHE A 59 -5.334 2.525 6.137 1.00 0.00 C ATOM 942 CG PHE A 59 -6.397 1.575 5.638 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.434 1.142 4.302 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.369 1.116 6.541 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.429 0.252 3.877 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.356 0.222 6.117 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.384 -0.222 4.790 1.00 0.00 C ATOM 0 H PHE A 59 -2.760 3.840 6.275 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.805 1.242 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.265 2.432 7.221 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.652 3.546 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.693 1.496 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.354 1.455 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.461 -0.070 2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.101 -0.128 6.817 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.137 -0.926 4.470 1.00 0.00 H new ATOM 957 N VAL A 60 -2.572 2.960 3.615 1.00 0.00 N ATOM 958 CA VAL A 60 -2.388 3.533 2.278 1.00 0.00 C ATOM 959 C VAL A 60 -3.227 2.690 1.331 1.00 0.00 C ATOM 960 O VAL A 60 -3.383 1.498 1.586 1.00 0.00 O ATOM 961 CB VAL A 60 -0.924 3.494 1.828 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.734 4.322 0.559 1.00 0.00 C ATOM 963 CG2 VAL A 60 0.016 4.008 2.913 1.00 0.00 C ATOM 0 H VAL A 60 -1.744 2.528 4.025 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.688 4.581 2.283 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.677 2.452 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.311 4.284 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.360 3.918 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.017 5.356 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.044 3.964 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.239 5.039 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.084 3.389 3.804 1.00 0.00 H new ATOM 973 N ARG A 61 -3.766 3.267 0.253 1.00 0.00 N ATOM 974 CA ARG A 61 -4.625 2.507 -0.639 1.00 0.00 C ATOM 975 C ARG A 61 -4.451 2.888 -2.104 1.00 0.00 C ATOM 976 O ARG A 61 -4.238 4.049 -2.442 1.00 0.00 O ATOM 977 CB ARG A 61 -6.076 2.661 -0.179 1.00 0.00 C ATOM 978 CG ARG A 61 -7.068 2.146 -1.227 1.00 0.00 C ATOM 979 CD ARG A 61 -8.459 1.964 -0.622 1.00 0.00 C ATOM 980 NE ARG A 61 -8.803 3.086 0.252 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.347 2.943 1.463 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.705 1.741 1.907 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.533 4.003 2.239 1.00 0.00 N ATOM 0 H ARG A 61 -3.622 4.241 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.333 1.458 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.220 2.117 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.281 3.711 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.119 2.847 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.716 1.197 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.198 1.880 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.494 1.033 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.617 4.031 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.565 0.918 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.120 1.642 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.260 4.929 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.949 3.891 3.164 1.00 0.00 H new ATOM 997 N PHE A 62 -4.553 1.866 -2.960 1.00 0.00 N ATOM 998 CA PHE A 62 -4.575 2.022 -4.409 1.00 0.00 C ATOM 999 C PHE A 62 -5.921 1.561 -4.953 1.00 0.00 C ATOM 1000 O PHE A 62 -6.614 0.766 -4.316 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.459 1.207 -5.058 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.060 1.638 -4.675 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.577 1.405 -3.382 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.247 2.275 -5.623 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.273 1.784 -3.038 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.057 2.658 -5.281 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.546 2.401 -3.996 1.00 0.00 C ATOM 0 H PHE A 62 -4.623 0.895 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.421 3.075 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.589 0.159 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.562 1.273 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.212 0.932 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.625 2.470 -6.616 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.100 1.602 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.684 3.151 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.558 2.679 -3.740 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.275 2.066 -6.138 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.588 1.870 -6.737 1.00 0.00 C ATOM 1019 C HIS A 63 -7.509 1.217 -8.115 1.00 0.00 C ATOM 1020 O HIS A 63 -8.493 1.204 -8.850 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.310 3.216 -6.794 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.450 3.848 -5.434 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.561 3.726 -4.595 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.509 4.624 -4.827 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.259 4.432 -3.497 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.037 4.985 -3.608 1.00 0.00 N ATOM 0 H HIS A 63 -5.646 2.629 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.155 1.178 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.763 3.892 -7.451 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.299 3.077 -7.231 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.543 4.900 -5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.907 4.542 -2.640 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.581 5.571 -2.909 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.343 0.675 -8.472 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.183 -0.099 -9.694 1.00 0.00 C ATOM 1036 C ASP A 64 -5.266 -1.282 -9.411 1.00 0.00 C ATOM 1037 O ASP A 64 -4.236 -1.141 -8.750 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.643 0.782 -10.820 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.604 0.028 -12.143 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.797 -0.921 -12.248 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.376 0.400 -13.052 1.00 0.00 O ATOM 0 H ASP A 64 -5.489 0.763 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.150 -0.478 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.269 1.669 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.641 1.127 -10.566 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.651 -2.456 -9.916 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.983 -3.697 -9.568 1.00 0.00 C ATOM 1048 C LYS A 65 -3.557 -3.787 -10.105 1.00 0.00 C ATOM 1049 O LYS A 65 -2.756 -4.536 -9.558 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.826 -4.881 -10.043 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.889 -4.969 -11.571 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.840 -6.087 -12.004 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.447 -7.417 -11.361 1.00 0.00 C ATOM 1054 NZ LYS A 65 -7.316 -8.516 -11.828 1.00 0.00 N ATOM 0 H LYS A 65 -6.426 -2.566 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.890 -3.723 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.408 -5.806 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.836 -4.789 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.226 -4.017 -11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.893 -5.155 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.861 -5.830 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.823 -6.184 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.408 -7.646 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.514 -7.333 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.025 -9.405 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.304 -8.307 -11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.232 -8.610 -12.860 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.208 -3.045 -11.161 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.864 -3.148 -11.717 1.00 0.00 C ATOM 1070 C ARG A 66 -0.858 -2.492 -10.773 1.00 0.00 C ATOM 1071 O ARG A 66 0.240 -3.016 -10.564 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.837 -2.532 -13.119 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.654 -1.013 -13.117 1.00 0.00 C ATOM 1074 CD ARG A 66 -2.009 -0.433 -14.485 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.463 -0.367 -14.643 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.095 -0.048 -15.778 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.420 0.188 -16.901 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.420 0.034 -15.780 1.00 0.00 N ATOM 0 H ARG A 66 -3.823 -2.384 -11.635 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.579 -4.196 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.028 -2.986 -13.691 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.767 -2.777 -13.632 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.286 -0.565 -12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.623 -0.765 -12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.579 0.563 -14.589 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.578 -1.050 -15.273 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.037 -0.580 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.402 0.127 -16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.921 0.430 -17.756 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.943 -0.145 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.915 0.276 -16.638 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.238 -1.348 -10.198 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.394 -0.626 -9.262 1.00 0.00 C ATOM 1094 C ASP A 67 -0.408 -1.352 -7.923 1.00 0.00 C ATOM 1095 O ASP A 67 0.574 -1.320 -7.183 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.932 0.796 -9.072 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.934 1.615 -10.360 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.120 1.312 -11.258 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.763 2.553 -10.435 1.00 0.00 O ATOM 0 H ASP A 67 -2.139 -0.903 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 67 0.624 -0.577 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.948 0.744 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.328 1.309 -8.324 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.531 -2.008 -7.621 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.700 -2.748 -6.387 1.00 0.00 C ATOM 1106 C ALA A 68 -0.830 -4.000 -6.356 1.00 0.00 C ATOM 1107 O ALA A 68 -0.226 -4.312 -5.330 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.167 -3.142 -6.261 1.00 0.00 C ATOM 0 H ALA A 68 -2.346 -2.036 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.394 -2.115 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.316 -3.701 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.785 -2.244 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.451 -3.763 -7.110 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.759 -4.726 -7.475 1.00 0.00 N ATOM 1115 CA GLU A 69 0.012 -5.956 -7.516 1.00 0.00 C ATOM 1116 C GLU A 69 1.507 -5.668 -7.446 1.00 0.00 C ATOM 1117 O GLU A 69 2.247 -6.461 -6.870 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.319 -6.758 -8.777 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.695 -7.414 -8.657 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.046 -8.203 -9.919 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.371 -9.226 -10.170 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.987 -7.780 -10.627 1.00 0.00 O ATOM 0 H GLU A 69 -1.222 -4.482 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.260 -6.551 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.299 -6.101 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.441 -7.523 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.709 -8.079 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.451 -6.649 -8.482 1.00 0.00 H new ATOM 1129 N ASP A 70 1.968 -4.551 -8.011 1.00 0.00 N ATOM 1130 CA ASP A 70 3.373 -4.194 -7.888 1.00 0.00 C ATOM 1131 C ASP A 70 3.685 -3.708 -6.472 1.00 0.00 C ATOM 1132 O ASP A 70 4.738 -4.030 -5.917 1.00 0.00 O ATOM 1133 CB ASP A 70 3.714 -3.080 -8.879 1.00 0.00 C ATOM 1134 CG ASP A 70 3.731 -3.562 -10.328 1.00 0.00 C ATOM 1135 OD1 ASP A 70 4.014 -4.762 -10.546 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.460 -2.719 -11.216 1.00 0.00 O ATOM 0 H ASP A 70 1.400 -3.894 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 70 3.970 -5.081 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.987 -2.274 -8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.689 -2.663 -8.628 1.00 0.00 H new ATOM 1141 N ALA A 71 2.766 -2.937 -5.887 1.00 0.00 N ATOM 1142 CA ALA A 71 2.968 -2.364 -4.571 1.00 0.00 C ATOM 1143 C ALA A 71 3.210 -3.453 -3.534 1.00 0.00 C ATOM 1144 O ALA A 71 4.002 -3.246 -2.621 1.00 0.00 O ATOM 1145 CB ALA A 71 1.751 -1.521 -4.193 1.00 0.00 C ATOM 0 H ALA A 71 1.871 -2.699 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 71 3.853 -1.728 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.901 -1.089 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.622 -0.721 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.861 -2.150 -4.183 1.00 0.00 H new ATOM 1151 N MET A 72 2.553 -4.612 -3.656 1.00 0.00 N ATOM 1152 CA MET A 72 2.747 -5.674 -2.675 1.00 0.00 C ATOM 1153 C MET A 72 3.925 -6.562 -3.072 1.00 0.00 C ATOM 1154 O MET A 72 4.578 -7.142 -2.209 1.00 0.00 O ATOM 1155 CB MET A 72 1.470 -6.506 -2.518 1.00 0.00 C ATOM 1156 CG MET A 72 1.172 -7.250 -3.812 1.00 0.00 C ATOM 1157 SD MET A 72 -0.355 -8.219 -3.796 1.00 0.00 S ATOM 1158 CE MET A 72 -0.088 -9.117 -5.347 1.00 0.00 C ATOM 0 H MET A 72 1.898 -4.832 -4.407 1.00 0.00 H new ATOM 0 HA MET A 72 2.973 -5.215 -1.713 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.587 -7.216 -1.699 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.633 -5.857 -2.261 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.118 -6.527 -4.626 1.00 0.00 H new ATOM 0 HG3 MET A 72 2.006 -7.916 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.033 -9.205 -5.884 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.630 -8.575 -5.962 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.299 -10.112 -5.129 1.00 0.00 H new ATOM 1168 N ASP A 73 4.204 -6.670 -4.372 1.00 0.00 N ATOM 1169 CA ASP A 73 5.317 -7.468 -4.861 1.00 0.00 C ATOM 1170 C ASP A 73 6.658 -6.833 -4.493 1.00 0.00 C ATOM 1171 O ASP A 73 7.703 -7.451 -4.675 1.00 0.00 O ATOM 1172 CB ASP A 73 5.189 -7.620 -6.380 1.00 0.00 C ATOM 1173 CG ASP A 73 6.280 -8.519 -6.959 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.306 -9.711 -6.582 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.078 -8.009 -7.777 1.00 0.00 O ATOM 0 H ASP A 73 3.667 -6.209 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 73 5.285 -8.451 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.211 -8.036 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.242 -6.637 -6.849 1.00 0.00 H new ATOM 1180 N ALA A 74 6.635 -5.599 -3.974 1.00 0.00 N ATOM 1181 CA ALA A 74 7.855 -4.890 -3.606 1.00 0.00 C ATOM 1182 C ALA A 74 7.791 -4.234 -2.223 1.00 0.00 C ATOM 1183 O ALA A 74 8.798 -3.686 -1.778 1.00 0.00 O ATOM 1184 CB ALA A 74 8.095 -3.842 -4.681 1.00 0.00 C ATOM 0 H ALA A 74 5.778 -5.074 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 74 8.673 -5.607 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.001 -3.283 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.209 -4.332 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.247 -3.158 -4.719 1.00 0.00 H new ATOM 1190 N MET A 75 6.648 -4.279 -1.536 1.00 0.00 N ATOM 1191 CA MET A 75 6.546 -3.779 -0.167 1.00 0.00 C ATOM 1192 C MET A 75 6.022 -4.823 0.818 1.00 0.00 C ATOM 1193 O MET A 75 6.283 -4.695 2.013 1.00 0.00 O ATOM 1194 CB MET A 75 5.609 -2.571 -0.098 1.00 0.00 C ATOM 1195 CG MET A 75 6.125 -1.310 -0.794 1.00 0.00 C ATOM 1196 SD MET A 75 7.086 -0.218 0.291 1.00 0.00 S ATOM 1197 CE MET A 75 6.892 1.342 -0.613 1.00 0.00 C ATOM 0 H MET A 75 5.778 -4.659 -1.909 1.00 0.00 H new ATOM 0 HA MET A 75 7.563 -3.508 0.117 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.652 -2.847 -0.542 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.419 -2.337 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.745 -1.602 -1.642 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.277 -0.754 -1.195 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.798 2.164 0.096 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.764 1.507 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.997 1.294 -1.234 1.00 0.00 H new ATOM 1207 N ASP A 76 5.295 -5.854 0.374 1.00 0.00 N ATOM 1208 CA ASP A 76 4.833 -6.862 1.318 1.00 0.00 C ATOM 1209 C ASP A 76 6.025 -7.647 1.862 1.00 0.00 C ATOM 1210 O ASP A 76 6.818 -8.199 1.095 1.00 0.00 O ATOM 1211 CB ASP A 76 3.826 -7.805 0.665 1.00 0.00 C ATOM 1212 CG ASP A 76 3.265 -8.802 1.677 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.958 -8.364 2.807 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.151 -9.995 1.312 1.00 0.00 O ATOM 0 H ASP A 76 5.024 -6.006 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 76 4.331 -6.358 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.011 -7.226 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.305 -8.344 -0.152 1.00 0.00 H new ATOM 1219 N GLY A 77 6.154 -7.703 3.188 1.00 0.00 N ATOM 1220 CA GLY A 77 7.230 -8.425 3.849 1.00 0.00 C ATOM 1221 C GLY A 77 8.546 -7.652 3.816 1.00 0.00 C ATOM 1222 O GLY A 77 9.567 -8.161 4.280 1.00 0.00 O ATOM 0 H GLY A 77 5.510 -7.245 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.951 -8.621 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.366 -9.393 3.366 1.00 0.00 H new ATOM 1226 N ALA A 78 8.535 -6.429 3.274 1.00 0.00 N ATOM 1227 CA ALA A 78 9.717 -5.587 3.190 1.00 0.00 C ATOM 1228 C ALA A 78 10.143 -5.079 4.568 1.00 0.00 C ATOM 1229 O ALA A 78 9.546 -5.427 5.585 1.00 0.00 O ATOM 1230 CB ALA A 78 9.418 -4.419 2.250 1.00 0.00 C ATOM 0 H ALA A 78 7.697 -6.000 2.881 1.00 0.00 H new ATOM 0 HA ALA A 78 10.547 -6.175 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.296 -3.777 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.165 -4.803 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.579 -3.843 2.641 1.00 0.00 H new ATOM 1236 N VAL A 79 11.186 -4.246 4.591 1.00 0.00 N ATOM 1237 CA VAL A 79 11.754 -3.695 5.812 1.00 0.00 C ATOM 1238 C VAL A 79 12.147 -2.240 5.565 1.00 0.00 C ATOM 1239 O VAL A 79 12.525 -1.890 4.449 1.00 0.00 O ATOM 1240 CB VAL A 79 12.999 -4.506 6.210 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.592 -3.986 7.516 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.672 -5.991 6.363 1.00 0.00 C ATOM 0 H VAL A 79 11.663 -3.934 3.745 1.00 0.00 H new ATOM 0 HA VAL A 79 11.021 -3.746 6.617 1.00 0.00 H new ATOM 0 HB VAL A 79 13.728 -4.387 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.471 -4.575 7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.878 -2.941 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.851 -4.069 8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.574 -6.535 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.915 -6.119 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.294 -6.380 5.417 1.00 0.00 H new ATOM 1252 N LEU A 80 12.064 -1.394 6.600 1.00 0.00 N ATOM 1253 CA LEU A 80 12.490 0.000 6.479 1.00 0.00 C ATOM 1254 C LEU A 80 13.241 0.529 7.707 1.00 0.00 C ATOM 1255 O LEU A 80 13.764 1.640 7.660 1.00 0.00 O ATOM 1256 CB LEU A 80 11.286 0.897 6.171 1.00 0.00 C ATOM 1257 CG LEU A 80 10.404 1.221 7.388 1.00 0.00 C ATOM 1258 CD1 LEU A 80 9.178 1.999 6.911 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.931 -0.026 8.137 1.00 0.00 C ATOM 0 H LEU A 80 11.709 -1.650 7.521 1.00 0.00 H new ATOM 0 HA LEU A 80 13.201 0.028 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.646 1.831 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.672 0.412 5.412 1.00 0.00 H new ATOM 0 HG LEU A 80 11.011 1.804 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.543 2.236 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.498 2.923 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.618 1.394 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.313 0.271 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.347 -0.654 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.795 -0.584 8.496 1.00 0.00 H new ATOM 1271 N ASP A 81 13.302 -0.243 8.793 1.00 0.00 N ATOM 1272 CA ASP A 81 13.955 0.202 10.021 1.00 0.00 C ATOM 1273 C ASP A 81 14.425 -0.971 10.884 1.00 0.00 C ATOM 1274 O ASP A 81 14.863 -0.774 12.016 1.00 0.00 O ATOM 1275 CB ASP A 81 12.965 1.072 10.798 1.00 0.00 C ATOM 1276 CG ASP A 81 13.615 1.763 11.994 1.00 0.00 C ATOM 1277 OD1 ASP A 81 14.622 2.470 11.776 1.00 0.00 O ATOM 1278 OD2 ASP A 81 13.095 1.583 13.117 1.00 0.00 O ATOM 0 H ASP A 81 12.906 -1.181 8.845 1.00 0.00 H new ATOM 0 HA ASP A 81 14.847 0.772 9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.545 1.825 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.136 0.455 11.144 1.00 0.00 H new ATOM 1283 N GLY A 82 14.340 -2.198 10.359 1.00 0.00 N ATOM 1284 CA GLY A 82 14.688 -3.399 11.107 1.00 0.00 C ATOM 1285 C GLY A 82 13.443 -4.155 11.574 1.00 0.00 C ATOM 1286 O GLY A 82 13.552 -5.086 12.370 1.00 0.00 O ATOM 0 H GLY A 82 14.028 -2.381 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.298 -4.052 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.294 -3.127 11.971 1.00 0.00 H new ATOM 1290 N ARG A 83 12.266 -3.756 11.082 1.00 0.00 N ATOM 1291 CA ARG A 83 11.003 -4.397 11.403 1.00 0.00 C ATOM 1292 C ARG A 83 10.459 -5.075 10.154 1.00 0.00 C ATOM 1293 O ARG A 83 11.224 -5.510 9.297 1.00 0.00 O ATOM 1294 CB ARG A 83 10.027 -3.376 12.004 1.00 0.00 C ATOM 1295 CG ARG A 83 9.715 -2.211 11.063 1.00 0.00 C ATOM 1296 CD ARG A 83 8.391 -1.578 11.488 1.00 0.00 C ATOM 1297 NE ARG A 83 8.389 -1.256 12.923 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.324 -1.364 13.721 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.143 -1.740 13.242 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.441 -1.092 15.016 1.00 0.00 N ATOM 0 H ARG A 83 12.171 -2.968 10.442 1.00 0.00 H new ATOM 0 HA ARG A 83 11.147 -5.167 12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.098 -3.882 12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.447 -2.984 12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.516 -1.472 11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.652 -2.563 10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.217 -0.671 10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.571 -2.261 11.265 1.00 0.00 H new ATOM 0 HE ARG A 83 9.261 -0.928 13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.039 -1.952 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.340 -1.817 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.342 -0.802 15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.630 -1.173 15.629 1.00 0.00 H new ATOM 1314 N GLU A 84 9.140 -5.160 10.060 1.00 0.00 N ATOM 1315 CA GLU A 84 8.457 -5.752 8.926 1.00 0.00 C ATOM 1316 C GLU A 84 7.473 -4.749 8.347 1.00 0.00 C ATOM 1317 O GLU A 84 7.144 -3.746 8.980 1.00 0.00 O ATOM 1318 CB GLU A 84 7.717 -7.014 9.368 1.00 0.00 C ATOM 1319 CG GLU A 84 8.698 -8.134 9.691 1.00 0.00 C ATOM 1320 CD GLU A 84 7.962 -9.416 10.083 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.694 -9.579 11.295 1.00 0.00 O ATOM 1322 OE2 GLU A 84 7.673 -10.220 9.170 1.00 0.00 O ATOM 0 H GLU A 84 8.508 -4.814 10.782 1.00 0.00 H new ATOM 0 HA GLU A 84 9.188 -6.020 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.107 -6.795 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.037 -7.337 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.333 -8.326 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.353 -7.824 10.505 1.00 0.00 H new ATOM 1329 N LEU A 85 7.006 -5.031 7.130 1.00 0.00 N ATOM 1330 CA LEU A 85 6.028 -4.218 6.434 1.00 0.00 C ATOM 1331 C LEU A 85 4.992 -5.138 5.802 1.00 0.00 C ATOM 1332 O LEU A 85 5.266 -6.310 5.547 1.00 0.00 O ATOM 1333 CB LEU A 85 6.743 -3.364 5.381 1.00 0.00 C ATOM 1334 CG LEU A 85 7.636 -2.293 6.010 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.376 -1.551 4.901 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.812 -1.286 6.809 1.00 0.00 C ATOM 0 H LEU A 85 7.307 -5.847 6.597 1.00 0.00 H new ATOM 0 HA LEU A 85 5.518 -3.545 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.347 -4.009 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.002 -2.886 4.740 1.00 0.00 H new ATOM 0 HG LEU A 85 8.337 -2.783 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.016 -0.785 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.988 -2.255 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.654 -1.082 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.474 -0.537 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.095 -0.797 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.277 -1.804 7.605 1.00 0.00 H new ATOM 1348 N ARG A 86 3.789 -4.612 5.550 1.00 0.00 N ATOM 1349 CA ARG A 86 2.684 -5.408 5.042 1.00 0.00 C ATOM 1350 C ARG A 86 1.867 -4.630 4.030 1.00 0.00 C ATOM 1351 O ARG A 86 1.662 -3.429 4.171 1.00 0.00 O ATOM 1352 CB ARG A 86 1.788 -5.825 6.215 1.00 0.00 C ATOM 1353 CG ARG A 86 2.312 -7.056 6.956 1.00 0.00 C ATOM 1354 CD ARG A 86 2.366 -8.255 6.012 1.00 0.00 C ATOM 1355 NE ARG A 86 2.803 -9.473 6.708 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.288 -10.543 6.075 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.406 -10.552 4.751 1.00 0.00 N ATOM 1358 NH2 ARG A 86 3.663 -11.610 6.773 1.00 0.00 N ATOM 0 H ARG A 86 3.562 -3.628 5.694 1.00 0.00 H new ATOM 0 HA ARG A 86 3.089 -6.289 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.705 -4.994 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.784 -6.031 5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.306 -6.853 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.666 -7.281 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.381 -8.419 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.048 -8.041 5.190 1.00 0.00 H new ATOM 0 HE ARG A 86 2.732 -9.502 7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.125 -9.735 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.778 -11.375 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.580 -11.609 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.034 -12.429 6.292 1.00 0.00 H new ATOM 1372 N VAL A 87 1.407 -5.346 3.001 1.00 0.00 N ATOM 1373 CA VAL A 87 0.636 -4.784 1.905 1.00 0.00 C ATOM 1374 C VAL A 87 -0.257 -5.878 1.327 1.00 0.00 C ATOM 1375 O VAL A 87 0.236 -6.926 0.917 1.00 0.00 O ATOM 1376 CB VAL A 87 1.595 -4.283 0.821 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.781 -3.684 -0.319 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.510 -3.193 1.368 1.00 0.00 C ATOM 0 H VAL A 87 1.566 -6.349 2.911 1.00 0.00 H new ATOM 0 HA VAL A 87 0.025 -3.954 2.260 1.00 0.00 H new ATOM 0 HB VAL A 87 2.198 -5.124 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.454 -3.324 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.121 -4.446 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.184 -2.853 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.182 -2.853 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.908 -2.355 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.095 -3.591 2.197 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.572 -5.638 1.288 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.534 -6.611 0.781 1.00 0.00 C ATOM 1390 C GLN A 88 -3.895 -5.947 0.577 1.00 0.00 C ATOM 1391 O GLN A 88 -4.154 -4.870 1.111 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.670 -7.796 1.749 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.220 -7.407 3.123 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.219 -6.621 3.962 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.080 -7.035 4.133 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.640 -5.477 4.495 1.00 0.00 N ATOM 0 H GLN A 88 -1.994 -4.766 1.607 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.171 -6.985 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.325 -8.544 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.694 -8.263 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.123 -6.811 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.509 -8.309 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.596 -5.160 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.007 -4.917 5.066 1.00 0.00 H new ATOM 1405 N MET A 89 -4.773 -6.587 -0.199 1.00 0.00 N ATOM 1406 CA MET A 89 -6.102 -6.057 -0.468 1.00 0.00 C ATOM 1407 C MET A 89 -6.922 -5.984 0.820 1.00 0.00 C ATOM 1408 O MET A 89 -6.708 -6.764 1.750 1.00 0.00 O ATOM 1409 CB MET A 89 -6.810 -6.929 -1.507 1.00 0.00 C ATOM 1410 CG MET A 89 -6.141 -6.801 -2.881 1.00 0.00 C ATOM 1411 SD MET A 89 -4.477 -7.513 -3.004 1.00 0.00 S ATOM 1412 CE MET A 89 -3.981 -6.788 -4.584 1.00 0.00 C ATOM 0 H MET A 89 -4.580 -7.480 -0.653 1.00 0.00 H new ATOM 0 HA MET A 89 -6.004 -5.047 -0.865 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.792 -7.970 -1.186 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.857 -6.636 -1.580 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.779 -7.281 -3.623 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.086 -5.744 -3.143 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.905 -6.903 -4.715 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.502 -7.295 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.236 -5.728 -4.594 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.867 -5.042 0.875 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.752 -4.882 2.022 1.00 0.00 C ATOM 1424 C ALA A 90 -9.667 -6.100 2.192 1.00 0.00 C ATOM 1425 O ALA A 90 -9.698 -6.990 1.341 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.580 -3.611 1.848 1.00 0.00 C ATOM 0 H ALA A 90 -8.037 -4.372 0.125 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.145 -4.800 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.243 -3.489 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.915 -2.750 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.174 -3.686 0.937 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.422 -6.137 3.294 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.332 -7.237 3.597 1.00 0.00 C ATOM 1434 C ARG A 91 -12.685 -6.763 4.099 1.00 0.00 C ATOM 1435 O ARG A 91 -13.595 -7.567 4.296 1.00 0.00 O ATOM 1436 CB ARG A 91 -10.686 -8.136 4.644 1.00 0.00 C ATOM 1437 CG ARG A 91 -10.603 -7.443 6.008 1.00 0.00 C ATOM 1438 CD ARG A 91 -9.779 -8.262 7.003 1.00 0.00 C ATOM 1439 NE ARG A 91 -10.422 -9.544 7.303 1.00 0.00 N ATOM 1440 CZ ARG A 91 -9.938 -10.437 8.171 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -8.808 -10.196 8.833 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -10.588 -11.578 8.380 1.00 0.00 N ATOM 0 H ARG A 91 -10.417 -5.401 4.001 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.511 -7.782 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.261 -9.058 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.685 -8.416 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.156 -6.456 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.608 -7.293 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.784 -8.439 6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.649 -7.694 7.924 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.292 -9.768 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.303 -9.323 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.447 -10.884 9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.455 -11.770 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.220 -12.261 9.042 1.00 0.00 H new ATOM 1456 N TYR A 92 -12.813 -5.454 4.305 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.037 -4.832 4.785 1.00 0.00 C ATOM 1458 C TYR A 92 -14.387 -3.616 3.932 1.00 0.00 C ATOM 1459 O TYR A 92 -13.620 -3.223 3.051 1.00 0.00 O ATOM 1460 CB TYR A 92 -13.866 -4.414 6.246 1.00 0.00 C ATOM 1461 CG TYR A 92 -13.572 -5.547 7.207 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -14.418 -6.667 7.259 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -12.457 -5.472 8.053 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.151 -7.712 8.154 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.182 -6.511 8.952 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.028 -7.637 9.005 1.00 0.00 C ATOM 1467 OH TYR A 92 -12.759 -8.649 9.879 1.00 0.00 O ATOM 0 H TYR A 92 -12.057 -4.790 4.140 1.00 0.00 H new ATOM 0 HA TYR A 92 -14.850 -5.554 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.057 -3.687 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -14.775 -3.908 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.277 -6.723 6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.807 -4.610 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -14.803 -8.572 8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.323 -6.449 9.603 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.949 -8.435 10.388 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.552 -3.022 4.206 1.00 0.00 N ATOM 1478 CA GLY A 93 -16.052 -1.870 3.467 1.00 0.00 C ATOM 1479 C GLY A 93 -16.083 -0.609 4.327 1.00 0.00 C ATOM 1480 O GLY A 93 -16.678 0.381 3.904 1.00 0.00 O ATOM 0 H GLY A 93 -16.175 -3.332 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.422 -1.698 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.056 -2.083 3.099 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.445 -0.676 5.506 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.213 0.353 6.522 1.00 0.00 C ATOM 1486 C ARG A 94 -15.885 -0.058 7.836 1.00 0.00 C ATOM 1487 O ARG A 94 -16.854 -0.812 7.817 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.663 1.742 6.072 1.00 0.00 C ATOM 1489 CG ARG A 94 -14.708 2.277 4.997 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.182 3.632 4.470 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.125 4.651 5.522 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.494 5.925 5.375 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -15.969 6.376 4.216 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.382 6.757 6.406 1.00 0.00 N ATOM 0 H ARG A 94 -15.032 -1.561 5.801 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.137 0.428 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.678 1.695 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.683 2.421 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.705 2.375 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.644 1.565 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.560 3.937 3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.203 3.545 4.097 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.777 4.364 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.056 5.744 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.246 7.353 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.017 6.419 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.661 7.733 6.306 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.375 0.435 8.975 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.919 0.181 10.296 1.00 0.00 C ATOM 1510 C PRO A 95 -17.435 0.386 10.331 1.00 0.00 C ATOM 1511 O PRO A 95 -17.921 1.429 9.895 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.215 1.171 11.228 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.900 1.495 10.525 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.209 1.289 9.045 1.00 0.00 C ATOM 0 HA PRO A 95 -15.750 -0.853 10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.815 2.068 11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.041 0.734 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.581 2.518 10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.097 0.839 10.860 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.399 2.243 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.363 0.830 8.534 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.190 -0.594 10.841 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.638 -0.516 10.944 1.00 0.00 C ATOM 1524 C PRO A 96 -20.081 0.323 12.139 1.00 0.00 C ATOM 1525 O PRO A 96 -21.260 0.662 12.249 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.084 -1.962 11.125 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.929 -2.582 11.916 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.705 -1.866 11.340 1.00 0.00 C ATOM 0 HA PRO A 96 -20.074 -0.038 10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.027 -2.029 11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.232 -2.462 10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.033 -2.409 12.987 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.872 -3.661 11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.941 -1.721 12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.249 -2.451 10.541 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.149 0.656 13.039 1.00 0.00 N ATOM 1537 CA ASP A 97 -19.458 1.379 14.265 1.00 0.00 C ATOM 1538 C ASP A 97 -18.211 2.098 14.800 1.00 0.00 C ATOM 1539 O ASP A 97 -18.062 2.256 16.013 1.00 0.00 O ATOM 1540 CB ASP A 97 -20.005 0.378 15.292 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.588 1.066 16.524 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.342 2.052 16.339 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.281 0.597 17.642 1.00 0.00 O ATOM 0 H ASP A 97 -18.160 0.429 12.932 1.00 0.00 H new ATOM 0 HA ASP A 97 -20.209 2.144 14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.775 -0.235 14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.205 -0.296 15.600 1.00 0.00 H new ATOM 1548 N SER A 98 -17.317 2.527 13.899 1.00 0.00 N ATOM 1549 CA SER A 98 -16.023 3.121 14.234 1.00 0.00 C ATOM 1550 C SER A 98 -15.377 2.423 15.433 1.00 0.00 C ATOM 1551 O SER A 98 -14.987 1.263 15.323 1.00 0.00 O ATOM 1552 CB SER A 98 -16.144 4.639 14.423 1.00 0.00 C ATOM 1553 OG SER A 98 -17.104 4.947 15.413 1.00 0.00 O ATOM 0 H SER A 98 -17.481 2.468 12.894 1.00 0.00 H new ATOM 0 HA SER A 98 -15.350 2.963 13.391 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.176 5.053 14.707 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.426 5.106 13.479 1.00 0.00 H new ATOM 0 HG SER A 98 -17.164 5.919 15.519 1.00 0.00 H new