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 88:sc= 0.567 USER MOD Set 1.2: A 75 MET CE :methyl -129:sc= -1.38 (180deg=-9.16!) USER MOD Set 2.1: A 22 THR OG1 : rot -49:sc= 1.08 USER MOD Set 2.2: A 25 THR OG1 : rot -70:sc= 0.781 USER MOD Set 3.1: A 13 MET CE :methyl -179:sc= -0.642 (180deg=-0.649) USER MOD Set 3.2: A 63 HIS : no HD1:sc= -2.24! K(o=-2.9!,f=-5.5) USER MOD Single : A 3 TYR OH : rot 165:sc= -0.291 USER MOD Single : A 14 THR OG1 : rot -110:sc= 0 USER MOD Single : A 15 SER OG : rot -48:sc= 0.33 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0.388 (180deg=0.181) USER MOD Single : A 20 ASN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 29 THR OG1 : rot 90:sc= 0.507 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 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.13) USER MOD Single : A 72 MET CE :methyl -148:sc=-0.00837 (180deg=-1.06) USER MOD Single : A 88 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.2) USER MOD Single : A 89 MET CE :methyl 180:sc= -0.424 (180deg=-0.424) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0224 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -6.139 14.679 4.945 1.00 0.00 N ATOM 30 CA TYR A 3 -6.407 13.748 3.856 1.00 0.00 C ATOM 31 C TYR A 3 -7.579 14.208 2.993 1.00 0.00 C ATOM 32 O TYR A 3 -7.967 15.378 3.006 1.00 0.00 O ATOM 33 CB TYR A 3 -6.664 12.357 4.445 1.00 0.00 C ATOM 34 CG TYR A 3 -5.531 11.806 5.285 1.00 0.00 C ATOM 35 CD1 TYR A 3 -4.321 11.405 4.691 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.710 11.691 6.670 1.00 0.00 C ATOM 37 CE1 TYR A 3 -3.300 10.866 5.489 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.693 11.160 7.469 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.489 10.738 6.878 1.00 0.00 C ATOM 40 OH TYR A 3 -2.512 10.205 7.660 1.00 0.00 O ATOM 0 HA TYR A 3 -5.537 13.711 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.565 12.397 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.864 11.663 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.178 11.511 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.636 12.014 7.122 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.371 10.550 5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.832 11.074 8.537 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.700 10.406 8.601 1.00 0.00 H new ATOM 50 N GLY A 4 -8.138 13.266 2.236 1.00 0.00 N ATOM 51 CA GLY A 4 -9.341 13.467 1.451 1.00 0.00 C ATOM 52 C GLY A 4 -10.172 12.191 1.494 1.00 0.00 C ATOM 53 O GLY A 4 -9.625 11.092 1.583 1.00 0.00 O ATOM 0 H GLY A 4 -7.755 12.324 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.915 14.305 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.083 13.715 0.421 1.00 0.00 H new ATOM 57 N ARG A 5 -11.497 12.333 1.435 1.00 0.00 N ATOM 58 CA ARG A 5 -12.406 11.210 1.536 1.00 0.00 C ATOM 59 C ARG A 5 -12.254 10.283 0.329 1.00 0.00 C ATOM 60 O ARG A 5 -11.877 10.727 -0.756 1.00 0.00 O ATOM 61 CB ARG A 5 -13.835 11.734 1.642 1.00 0.00 C ATOM 62 CG ARG A 5 -14.033 12.475 2.963 1.00 0.00 C ATOM 63 CD ARG A 5 -15.373 13.209 2.963 1.00 0.00 C ATOM 64 NE ARG A 5 -15.663 13.749 4.297 1.00 0.00 N ATOM 65 CZ ARG A 5 -16.807 14.341 4.642 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.808 14.451 3.774 1.00 0.00 N ATOM 67 NH2 ARG A 5 -16.949 14.828 5.871 1.00 0.00 N ATOM 0 H ARG A 5 -11.962 13.233 1.316 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.169 10.630 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.047 12.402 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.539 10.905 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.997 11.769 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.221 13.186 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.351 14.018 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.168 12.528 2.659 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.938 13.665 5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.707 14.080 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.677 14.907 4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.186 14.747 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.821 15.282 6.142 1.00 0.00 H new ATOM 81 N PRO A 6 -12.555 8.993 0.525 1.00 0.00 N ATOM 82 CA PRO A 6 -12.543 7.978 -0.516 1.00 0.00 C ATOM 83 C PRO A 6 -13.324 8.418 -1.756 1.00 0.00 C ATOM 84 O PRO A 6 -14.299 9.162 -1.641 1.00 0.00 O ATOM 85 CB PRO A 6 -13.178 6.744 0.136 1.00 0.00 C ATOM 86 CG PRO A 6 -12.854 6.923 1.616 1.00 0.00 C ATOM 87 CD PRO A 6 -12.927 8.437 1.808 1.00 0.00 C ATOM 0 HA PRO A 6 -11.532 7.782 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.253 6.705 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.757 5.819 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.570 6.401 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.866 6.533 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.930 8.751 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.249 8.769 2.594 1.00 0.00 H new ATOM 95 N PRO A 7 -12.911 7.963 -2.946 1.00 0.00 N ATOM 96 CA PRO A 7 -13.543 8.313 -4.207 1.00 0.00 C ATOM 97 C PRO A 7 -14.873 7.575 -4.380 1.00 0.00 C ATOM 98 O PRO A 7 -15.113 6.559 -3.727 1.00 0.00 O ATOM 99 CB PRO A 7 -12.541 7.883 -5.275 1.00 0.00 C ATOM 100 CG PRO A 7 -11.854 6.680 -4.634 1.00 0.00 C ATOM 101 CD PRO A 7 -11.778 7.080 -3.162 1.00 0.00 C ATOM 0 HA PRO A 7 -13.778 9.376 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.036 7.615 -6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.831 8.677 -5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.427 5.764 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.865 6.506 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.832 6.206 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.838 7.585 -2.940 1.00 0.00 H new ATOM 109 N PRO A 8 -15.743 8.080 -5.265 1.00 0.00 N ATOM 110 CA PRO A 8 -17.036 7.506 -5.604 1.00 0.00 C ATOM 111 C PRO A 8 -16.877 6.288 -6.520 1.00 0.00 C ATOM 112 O PRO A 8 -17.663 6.102 -7.448 1.00 0.00 O ATOM 113 CB PRO A 8 -17.793 8.648 -6.288 1.00 0.00 C ATOM 114 CG PRO A 8 -16.674 9.396 -7.011 1.00 0.00 C ATOM 115 CD PRO A 8 -15.516 9.301 -6.018 1.00 0.00 C ATOM 0 HA PRO A 8 -17.572 7.134 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.548 8.277 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.307 9.284 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.428 8.933 -7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.946 10.431 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.558 9.269 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.493 10.169 -5.359 1.00 0.00 H new ATOM 123 N ASP A 9 -15.863 5.452 -6.273 1.00 0.00 N ATOM 124 CA ASP A 9 -15.520 4.337 -7.148 1.00 0.00 C ATOM 125 C ASP A 9 -15.389 3.029 -6.364 1.00 0.00 C ATOM 126 O ASP A 9 -14.843 2.048 -6.866 1.00 0.00 O ATOM 127 CB ASP A 9 -14.233 4.689 -7.901 1.00 0.00 C ATOM 128 CG ASP A 9 -13.924 3.684 -9.006 1.00 0.00 C ATOM 129 OD1 ASP A 9 -14.845 3.402 -9.807 1.00 0.00 O ATOM 130 OD2 ASP A 9 -12.768 3.203 -9.052 1.00 0.00 O ATOM 0 H ASP A 9 -15.258 5.534 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.322 4.175 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.327 5.685 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.400 4.723 -7.199 1.00 0.00 H new ATOM 135 N VAL A 10 -15.892 3.006 -5.128 1.00 0.00 N ATOM 136 CA VAL A 10 -15.853 1.825 -4.270 1.00 0.00 C ATOM 137 C VAL A 10 -16.594 0.636 -4.884 1.00 0.00 C ATOM 138 O VAL A 10 -16.495 -0.476 -4.375 1.00 0.00 O ATOM 139 CB VAL A 10 -16.433 2.158 -2.888 1.00 0.00 C ATOM 140 CG1 VAL A 10 -15.589 3.223 -2.194 1.00 0.00 C ATOM 141 CG2 VAL A 10 -17.877 2.653 -2.998 1.00 0.00 C ATOM 0 H VAL A 10 -16.340 3.813 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.808 1.533 -4.166 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.419 1.241 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.016 3.445 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.570 2.856 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.577 4.129 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.260 2.881 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.908 3.552 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.493 1.879 -3.456 1.00 0.00 H new ATOM 151 N GLU A 11 -17.335 0.859 -5.973 1.00 0.00 N ATOM 152 CA GLU A 11 -18.082 -0.191 -6.652 1.00 0.00 C ATOM 153 C GLU A 11 -17.172 -1.099 -7.479 1.00 0.00 C ATOM 154 O GLU A 11 -17.628 -2.114 -8.011 1.00 0.00 O ATOM 155 CB GLU A 11 -19.138 0.444 -7.562 1.00 0.00 C ATOM 156 CG GLU A 11 -20.078 1.341 -6.757 1.00 0.00 C ATOM 157 CD GLU A 11 -21.194 1.899 -7.641 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.953 2.942 -8.295 1.00 0.00 O ATOM 159 OE2 GLU A 11 -22.283 1.282 -7.663 1.00 0.00 O ATOM 0 H GLU A 11 -17.431 1.778 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.559 -0.808 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.649 1.028 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.712 -0.337 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.511 0.774 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.513 2.163 -6.316 1.00 0.00 H new ATOM 166 N GLY A 12 -15.888 -0.746 -7.594 1.00 0.00 N ATOM 167 CA GLY A 12 -14.917 -1.530 -8.351 1.00 0.00 C ATOM 168 C GLY A 12 -13.479 -1.282 -7.897 1.00 0.00 C ATOM 169 O GLY A 12 -12.540 -1.684 -8.584 1.00 0.00 O ATOM 0 H GLY A 12 -15.496 0.092 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.150 -2.590 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.007 -1.288 -9.410 1.00 0.00 H new ATOM 173 N MET A 13 -13.307 -0.620 -6.750 1.00 0.00 N ATOM 174 CA MET A 13 -12.007 -0.292 -6.188 1.00 0.00 C ATOM 175 C MET A 13 -11.207 -1.562 -5.880 1.00 0.00 C ATOM 176 O MET A 13 -11.769 -2.556 -5.420 1.00 0.00 O ATOM 177 CB MET A 13 -12.260 0.527 -4.919 1.00 0.00 C ATOM 178 CG MET A 13 -10.971 1.028 -4.271 1.00 0.00 C ATOM 179 SD MET A 13 -11.234 1.933 -2.721 1.00 0.00 S ATOM 180 CE MET A 13 -12.089 3.390 -3.363 1.00 0.00 C ATOM 0 H MET A 13 -14.087 -0.293 -6.180 1.00 0.00 H new ATOM 0 HA MET A 13 -11.413 0.282 -6.899 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.894 1.380 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 13 -12.809 -0.083 -4.202 1.00 0.00 H new ATOM 0 HG2 MET A 13 -10.318 0.177 -4.078 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.450 1.676 -4.975 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.314 4.071 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.452 3.895 -4.089 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.017 3.084 -3.845 1.00 0.00 H new ATOM 190 N THR A 14 -9.894 -1.532 -6.134 1.00 0.00 N ATOM 191 CA THR A 14 -9.013 -2.662 -5.839 1.00 0.00 C ATOM 192 C THR A 14 -8.790 -2.779 -4.331 1.00 0.00 C ATOM 193 O THR A 14 -8.567 -3.872 -3.817 1.00 0.00 O ATOM 194 CB THR A 14 -7.679 -2.480 -6.566 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.904 -2.411 -7.958 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.744 -3.655 -6.288 1.00 0.00 C ATOM 0 H THR A 14 -9.418 -0.730 -6.546 1.00 0.00 H new ATOM 0 HA THR A 14 -9.482 -3.582 -6.188 1.00 0.00 H new ATOM 0 HB THR A 14 -7.220 -1.560 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.558 -3.222 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.802 -3.503 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.553 -3.723 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.208 -4.579 -6.633 1.00 0.00 H new ATOM 203 N SER A 15 -8.855 -1.645 -3.632 1.00 0.00 N ATOM 204 CA SER A 15 -8.838 -1.570 -2.177 1.00 0.00 C ATOM 205 C SER A 15 -7.619 -2.244 -1.553 1.00 0.00 C ATOM 206 O SER A 15 -7.746 -2.931 -0.543 1.00 0.00 O ATOM 207 CB SER A 15 -10.144 -2.134 -1.611 1.00 0.00 C ATOM 208 OG SER A 15 -11.254 -1.447 -2.165 1.00 0.00 O ATOM 0 H SER A 15 -8.923 -0.730 -4.078 1.00 0.00 H new ATOM 0 HA SER A 15 -8.757 -0.517 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.217 -3.198 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.151 -2.036 -0.525 1.00 0.00 H new ATOM 0 HG SER A 15 -11.102 -0.480 -2.107 1.00 0.00 H new ATOM 214 N LEU A 16 -6.432 -2.065 -2.136 1.00 0.00 N ATOM 215 CA LEU A 16 -5.220 -2.577 -1.515 1.00 0.00 C ATOM 216 C LEU A 16 -4.990 -1.751 -0.258 1.00 0.00 C ATOM 217 O LEU A 16 -5.283 -0.557 -0.282 1.00 0.00 O ATOM 218 CB LEU A 16 -4.042 -2.381 -2.472 1.00 0.00 C ATOM 219 CG LEU A 16 -2.766 -3.058 -1.953 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.819 -4.563 -2.188 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.556 -2.515 -2.708 1.00 0.00 C ATOM 0 H LEU A 16 -6.290 -1.578 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.311 -3.638 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.297 -2.788 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.858 -1.315 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.687 -2.852 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.905 -5.022 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.678 -4.983 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.913 -4.761 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.651 -2.996 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.668 -2.722 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.484 -1.438 -2.553 1.00 0.00 H new ATOM 233 N LYS A 17 -4.472 -2.345 0.823 1.00 0.00 N ATOM 234 CA LYS A 17 -4.050 -1.551 1.966 1.00 0.00 C ATOM 235 C LYS A 17 -2.615 -1.859 2.371 1.00 0.00 C ATOM 236 O LYS A 17 -2.055 -2.870 1.946 1.00 0.00 O ATOM 237 CB LYS A 17 -5.024 -1.682 3.143 1.00 0.00 C ATOM 238 CG LYS A 17 -4.793 -2.890 4.053 1.00 0.00 C ATOM 239 CD LYS A 17 -5.690 -2.703 5.282 1.00 0.00 C ATOM 240 CE LYS A 17 -5.422 -3.756 6.352 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.083 -3.611 6.953 1.00 0.00 N ATOM 0 H LYS A 17 -4.340 -3.351 0.924 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.071 -0.506 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.962 -0.776 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.039 -1.734 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.038 -3.816 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.745 -2.957 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.527 -1.710 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.736 -2.753 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.179 -3.679 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.516 -4.749 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.012 -4.219 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.359 -3.892 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.932 -2.620 7.229 1.00 0.00 H new ATOM 255 N VAL A 18 -2.025 -0.995 3.200 1.00 0.00 N ATOM 256 CA VAL A 18 -0.636 -1.103 3.636 1.00 0.00 C ATOM 257 C VAL A 18 -0.531 -0.738 5.110 1.00 0.00 C ATOM 258 O VAL A 18 -1.168 0.223 5.544 1.00 0.00 O ATOM 259 CB VAL A 18 0.204 -0.107 2.839 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.657 -0.148 3.294 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.129 -0.349 1.333 1.00 0.00 C ATOM 0 H VAL A 18 -2.510 -0.188 3.592 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.285 -2.123 3.480 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.214 0.880 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.240 0.568 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.714 0.108 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.058 -1.150 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.744 0.387 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.494 -1.351 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.905 -0.256 1.001 1.00 0.00 H new ATOM 271 N ASP A 19 0.277 -1.506 5.855 1.00 0.00 N ATOM 272 CA ASP A 19 0.445 -1.392 7.301 1.00 0.00 C ATOM 273 C ASP A 19 1.792 -1.979 7.748 1.00 0.00 C ATOM 274 O ASP A 19 2.588 -2.420 6.922 1.00 0.00 O ATOM 275 CB ASP A 19 -0.717 -2.139 7.973 1.00 0.00 C ATOM 276 CG ASP A 19 -0.783 -3.611 7.576 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.345 -3.901 6.492 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.275 -4.440 8.361 1.00 0.00 O ATOM 0 H ASP A 19 0.848 -2.247 5.449 1.00 0.00 H new ATOM 0 HA ASP A 19 0.439 -0.341 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.613 -2.064 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.656 -1.654 7.708 1.00 0.00 H new ATOM 283 N ASN A 20 2.035 -1.975 9.071 1.00 0.00 N ATOM 284 CA ASN A 20 3.169 -2.591 9.769 1.00 0.00 C ATOM 285 C ASN A 20 4.364 -1.649 9.944 1.00 0.00 C ATOM 286 O ASN A 20 5.375 -2.046 10.519 1.00 0.00 O ATOM 287 CB ASN A 20 3.614 -3.895 9.111 1.00 0.00 C ATOM 288 CG ASN A 20 3.993 -4.920 10.169 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.126 -5.554 10.764 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.290 -5.088 10.411 1.00 0.00 N ATOM 0 H ASN A 20 1.401 -1.510 9.720 1.00 0.00 H new ATOM 0 HA ASN A 20 2.793 -2.819 10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.811 -4.287 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.465 -3.707 8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.595 -5.763 11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.980 -4.542 9.895 1.00 0.00 H new ATOM 297 N LEU A 21 4.259 -0.408 9.458 1.00 0.00 N ATOM 298 CA LEU A 21 5.282 0.618 9.623 1.00 0.00 C ATOM 299 C LEU A 21 5.563 0.899 11.103 1.00 0.00 C ATOM 300 O LEU A 21 4.958 0.296 11.988 1.00 0.00 O ATOM 301 CB LEU A 21 4.828 1.897 8.923 1.00 0.00 C ATOM 302 CG LEU A 21 3.410 2.256 9.368 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.339 3.720 9.792 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.452 1.966 8.218 1.00 0.00 C ATOM 0 H LEU A 21 3.446 -0.088 8.931 1.00 0.00 H new ATOM 0 HA LEU A 21 6.208 0.258 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.511 2.713 9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.856 1.760 7.842 1.00 0.00 H new ATOM 0 HG LEU A 21 3.126 1.655 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.323 3.959 10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.025 3.892 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.618 4.356 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.435 2.217 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.732 2.565 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.503 0.908 7.960 1.00 0.00 H new ATOM 316 N THR A 22 6.494 1.822 11.376 1.00 0.00 N ATOM 317 CA THR A 22 6.928 2.085 12.740 1.00 0.00 C ATOM 318 C THR A 22 6.121 3.203 13.393 1.00 0.00 C ATOM 319 O THR A 22 5.357 3.905 12.735 1.00 0.00 O ATOM 320 CB THR A 22 8.415 2.456 12.787 1.00 0.00 C ATOM 321 OG1 THR A 22 8.593 3.773 12.319 1.00 0.00 O ATOM 322 CG2 THR A 22 9.271 1.512 11.951 1.00 0.00 C ATOM 0 H THR A 22 6.955 2.394 10.668 1.00 0.00 H new ATOM 0 HA THR A 22 6.762 1.162 13.296 1.00 0.00 H new ATOM 0 HB THR A 22 8.736 2.372 13.825 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.118 3.885 11.469 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.316 1.815 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.164 0.495 12.327 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.946 1.550 10.911 1.00 0.00 H new ATOM 329 N TYR A 23 6.307 3.364 14.706 1.00 0.00 N ATOM 330 CA TYR A 23 5.685 4.429 15.477 1.00 0.00 C ATOM 331 C TYR A 23 6.357 5.780 15.211 1.00 0.00 C ATOM 332 O TYR A 23 6.037 6.765 15.877 1.00 0.00 O ATOM 333 CB TYR A 23 5.750 4.069 16.964 1.00 0.00 C ATOM 334 CG TYR A 23 7.152 3.987 17.529 1.00 0.00 C ATOM 335 CD1 TYR A 23 7.890 2.799 17.411 1.00 0.00 C ATOM 336 CD2 TYR A 23 7.714 5.101 18.167 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.191 2.718 17.931 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.012 5.030 18.690 1.00 0.00 C ATOM 339 CZ TYR A 23 9.759 3.840 18.572 1.00 0.00 C ATOM 340 OH TYR A 23 11.025 3.775 19.070 1.00 0.00 O ATOM 0 H TYR A 23 6.900 2.750 15.263 1.00 0.00 H new ATOM 0 HA TYR A 23 4.644 4.527 15.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.187 4.811 17.530 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.254 3.110 17.115 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.454 1.943 16.917 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.146 6.015 18.256 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.755 1.801 17.841 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.441 5.889 19.185 1.00 0.00 H new ATOM 0 HH TYR A 23 11.261 4.634 19.478 1.00 0.00 H new ATOM 350 N ARG A 24 7.283 5.838 14.239 1.00 0.00 N ATOM 351 CA ARG A 24 8.031 7.044 13.893 1.00 0.00 C ATOM 352 C ARG A 24 7.843 7.424 12.425 1.00 0.00 C ATOM 353 O ARG A 24 8.230 8.518 12.021 1.00 0.00 O ATOM 354 CB ARG A 24 9.516 6.823 14.199 1.00 0.00 C ATOM 355 CG ARG A 24 9.795 6.559 15.682 1.00 0.00 C ATOM 356 CD ARG A 24 9.332 7.730 16.547 1.00 0.00 C ATOM 357 NE ARG A 24 10.025 8.979 16.200 1.00 0.00 N ATOM 358 CZ ARG A 24 9.662 10.183 16.650 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.627 10.317 17.474 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.340 11.265 16.275 1.00 0.00 N ATOM 0 H ARG A 24 7.532 5.032 13.666 1.00 0.00 H new ATOM 0 HA ARG A 24 7.649 7.870 14.493 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.879 5.979 13.612 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.080 7.700 13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.284 5.648 15.995 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.862 6.393 15.830 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.257 7.866 16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.509 7.497 17.597 1.00 0.00 H new ATOM 0 HE ARG A 24 10.832 8.923 15.578 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.100 9.495 17.769 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.360 11.242 17.811 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.136 11.175 15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.063 12.185 16.618 1.00 0.00 H new ATOM 374 N THR A 25 7.256 6.528 11.628 1.00 0.00 N ATOM 375 CA THR A 25 6.883 6.807 10.245 1.00 0.00 C ATOM 376 C THR A 25 5.773 7.858 10.238 1.00 0.00 C ATOM 377 O THR A 25 5.168 8.122 11.276 1.00 0.00 O ATOM 378 CB THR A 25 6.431 5.501 9.589 1.00 0.00 C ATOM 379 OG1 THR A 25 7.393 4.501 9.838 1.00 0.00 O ATOM 380 CG2 THR A 25 6.266 5.636 8.076 1.00 0.00 C ATOM 0 H THR A 25 7.026 5.581 11.930 1.00 0.00 H new ATOM 0 HA THR A 25 7.727 7.201 9.678 1.00 0.00 H new ATOM 0 HB THR A 25 5.463 5.242 10.017 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.207 4.697 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.944 4.682 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.518 6.398 7.858 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.218 5.924 7.630 1.00 0.00 H new ATOM 387 N SER A 26 5.497 8.462 9.079 1.00 0.00 N ATOM 388 CA SER A 26 4.476 9.493 8.953 1.00 0.00 C ATOM 389 C SER A 26 3.766 9.368 7.606 1.00 0.00 C ATOM 390 O SER A 26 4.324 8.799 6.665 1.00 0.00 O ATOM 391 CB SER A 26 5.133 10.867 9.106 1.00 0.00 C ATOM 392 OG SER A 26 5.598 11.016 10.432 1.00 0.00 O ATOM 0 H SER A 26 5.977 8.247 8.205 1.00 0.00 H new ATOM 0 HA SER A 26 3.727 9.371 9.735 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.961 10.967 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.417 11.654 8.869 1.00 0.00 H new ATOM 0 HG SER A 26 6.021 11.894 10.534 1.00 0.00 H new ATOM 398 N PRO A 27 2.537 9.894 7.489 1.00 0.00 N ATOM 399 CA PRO A 27 1.706 9.704 6.311 1.00 0.00 C ATOM 400 C PRO A 27 2.214 10.474 5.096 1.00 0.00 C ATOM 401 O PRO A 27 1.918 10.090 3.969 1.00 0.00 O ATOM 402 CB PRO A 27 0.322 10.189 6.720 1.00 0.00 C ATOM 403 CG PRO A 27 0.612 11.230 7.799 1.00 0.00 C ATOM 404 CD PRO A 27 1.850 10.682 8.496 1.00 0.00 C ATOM 0 HA PRO A 27 1.711 8.659 6.002 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.216 10.624 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.292 9.374 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.796 12.214 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.224 11.336 8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.484 11.489 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.579 10.071 9.357 1.00 0.00 H new ATOM 412 N ASP A 28 2.973 11.556 5.297 1.00 0.00 N ATOM 413 CA ASP A 28 3.530 12.284 4.166 1.00 0.00 C ATOM 414 C ASP A 28 4.609 11.424 3.518 1.00 0.00 C ATOM 415 O ASP A 28 4.867 11.527 2.319 1.00 0.00 O ATOM 416 CB ASP A 28 4.132 13.601 4.652 1.00 0.00 C ATOM 417 CG ASP A 28 4.710 14.409 3.488 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.913 15.081 2.801 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.946 14.343 3.296 1.00 0.00 O ATOM 0 H ASP A 28 3.209 11.936 6.214 1.00 0.00 H new ATOM 0 HA ASP A 28 2.749 12.503 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.367 14.188 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.916 13.398 5.382 1.00 0.00 H new ATOM 424 N THR A 29 5.232 10.570 4.331 1.00 0.00 N ATOM 425 CA THR A 29 6.297 9.709 3.868 1.00 0.00 C ATOM 426 C THR A 29 5.683 8.638 2.992 1.00 0.00 C ATOM 427 O THR A 29 6.084 8.469 1.847 1.00 0.00 O ATOM 428 CB THR A 29 7.008 9.032 5.042 1.00 0.00 C ATOM 429 OG1 THR A 29 6.941 9.828 6.208 1.00 0.00 O ATOM 430 CG2 THR A 29 8.476 8.806 4.712 1.00 0.00 C ATOM 0 H THR A 29 5.008 10.463 5.320 1.00 0.00 H new ATOM 0 HA THR A 29 7.027 10.306 3.320 1.00 0.00 H new ATOM 0 HB THR A 29 6.505 8.081 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.133 9.601 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.969 8.324 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.557 8.168 3.832 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.955 9.764 4.511 1.00 0.00 H new ATOM 437 N LEU A 30 4.700 7.910 3.534 1.00 0.00 N ATOM 438 CA LEU A 30 4.092 6.801 2.827 1.00 0.00 C ATOM 439 C LEU A 30 3.325 7.283 1.606 1.00 0.00 C ATOM 440 O LEU A 30 3.211 6.552 0.627 1.00 0.00 O ATOM 441 CB LEU A 30 3.156 6.043 3.763 1.00 0.00 C ATOM 442 CG LEU A 30 3.866 5.580 5.033 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.821 5.008 5.987 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.911 4.510 4.707 1.00 0.00 C ATOM 0 H LEU A 30 4.315 8.078 4.463 1.00 0.00 H new ATOM 0 HA LEU A 30 4.886 6.136 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.315 6.683 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.745 5.178 3.242 1.00 0.00 H new ATOM 0 HG LEU A 30 4.378 6.425 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.309 4.671 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.089 5.778 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.318 4.165 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.406 4.193 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.422 3.653 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.650 4.921 4.020 1.00 0.00 H new ATOM 456 N ARG A 31 2.800 8.509 1.648 1.00 0.00 N ATOM 457 CA ARG A 31 2.078 9.069 0.511 1.00 0.00 C ATOM 458 C ARG A 31 3.029 9.154 -0.677 1.00 0.00 C ATOM 459 O ARG A 31 2.672 8.755 -1.779 1.00 0.00 O ATOM 460 CB ARG A 31 1.494 10.435 0.916 1.00 0.00 C ATOM 461 CG ARG A 31 1.131 11.312 -0.286 1.00 0.00 C ATOM 462 CD ARG A 31 0.031 10.687 -1.143 1.00 0.00 C ATOM 463 NE ARG A 31 -0.021 11.331 -2.461 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.894 12.269 -2.833 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.836 12.706 -2.000 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.816 12.773 -4.062 1.00 0.00 N ATOM 0 H ARG A 31 2.862 9.129 2.456 1.00 0.00 H new ATOM 0 HA ARG A 31 1.241 8.437 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.604 10.277 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.217 10.963 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.804 12.291 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.019 11.473 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.216 9.619 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.932 10.791 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 31 0.669 11.036 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.900 12.323 -1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.493 13.424 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.096 12.442 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.476 13.491 -4.362 1.00 0.00 H new ATOM 480 N ARG A 32 4.239 9.667 -0.458 1.00 0.00 N ATOM 481 CA ARG A 32 5.210 9.879 -1.525 1.00 0.00 C ATOM 482 C ARG A 32 5.948 8.586 -1.859 1.00 0.00 C ATOM 483 O ARG A 32 6.220 8.304 -3.025 1.00 0.00 O ATOM 484 CB ARG A 32 6.188 10.937 -1.021 1.00 0.00 C ATOM 485 CG ARG A 32 7.291 11.256 -2.032 1.00 0.00 C ATOM 486 CD ARG A 32 8.269 12.254 -1.408 1.00 0.00 C ATOM 487 NE ARG A 32 7.615 13.536 -1.104 1.00 0.00 N ATOM 488 CZ ARG A 32 7.183 13.907 0.105 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.338 13.125 1.172 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.581 15.081 0.264 1.00 0.00 N ATOM 0 H ARG A 32 4.572 9.947 0.465 1.00 0.00 H new ATOM 0 HA ARG A 32 4.713 10.204 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.640 11.850 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.642 10.592 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.815 10.344 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.858 11.672 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.686 11.832 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.102 12.423 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 32 7.481 14.191 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.796 12.218 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.999 13.433 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.449 15.699 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.251 15.364 1.187 1.00 0.00 H new ATOM 504 N VAL A 33 6.264 7.802 -0.829 1.00 0.00 N ATOM 505 CA VAL A 33 6.930 6.512 -0.954 1.00 0.00 C ATOM 506 C VAL A 33 6.109 5.541 -1.792 1.00 0.00 C ATOM 507 O VAL A 33 6.679 4.728 -2.513 1.00 0.00 O ATOM 508 CB VAL A 33 7.161 5.951 0.449 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.456 4.457 0.441 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.326 6.673 1.120 1.00 0.00 C ATOM 0 H VAL A 33 6.058 8.055 0.137 1.00 0.00 H new ATOM 0 HA VAL A 33 7.883 6.647 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 33 6.237 6.113 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.612 4.111 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.614 3.922 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.354 4.267 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.481 6.264 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.230 6.534 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.101 7.737 1.194 1.00 0.00 H new ATOM 520 N PHE A 34 4.777 5.612 -1.708 1.00 0.00 N ATOM 521 CA PHE A 34 3.905 4.686 -2.417 1.00 0.00 C ATOM 522 C PHE A 34 3.328 5.305 -3.689 1.00 0.00 C ATOM 523 O PHE A 34 2.746 4.599 -4.509 1.00 0.00 O ATOM 524 CB PHE A 34 2.788 4.239 -1.482 1.00 0.00 C ATOM 525 CG PHE A 34 3.205 3.133 -0.540 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.973 3.414 0.603 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.828 1.809 -0.808 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.367 2.376 1.457 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.210 0.772 0.053 1.00 0.00 C ATOM 530 CZ PHE A 34 3.992 1.055 1.182 1.00 0.00 C ATOM 0 H PHE A 34 4.282 6.308 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 34 4.496 3.824 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.447 5.095 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.940 3.900 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.260 4.432 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.238 1.587 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.962 2.595 2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.903 -0.243 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.304 0.256 1.838 1.00 0.00 H new ATOM 540 N GLU A 35 3.487 6.617 -3.856 1.00 0.00 N ATOM 541 CA GLU A 35 3.011 7.316 -5.042 1.00 0.00 C ATOM 542 C GLU A 35 3.753 6.856 -6.295 1.00 0.00 C ATOM 543 O GLU A 35 3.221 6.946 -7.399 1.00 0.00 O ATOM 544 CB GLU A 35 3.181 8.827 -4.846 1.00 0.00 C ATOM 545 CG GLU A 35 2.656 9.634 -6.029 1.00 0.00 C ATOM 546 CD GLU A 35 2.522 11.108 -5.664 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.463 11.474 -5.104 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.479 11.862 -5.947 1.00 0.00 O ATOM 0 H GLU A 35 3.948 7.220 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 35 1.955 7.082 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.657 9.134 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.237 9.054 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.332 9.525 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.688 9.243 -6.340 1.00 0.00 H new ATOM 555 N LYS A 36 4.985 6.362 -6.135 1.00 0.00 N ATOM 556 CA LYS A 36 5.824 5.955 -7.254 1.00 0.00 C ATOM 557 C LYS A 36 5.356 4.643 -7.866 1.00 0.00 C ATOM 558 O LYS A 36 5.656 4.347 -9.020 1.00 0.00 O ATOM 559 CB LYS A 36 7.268 5.833 -6.770 1.00 0.00 C ATOM 560 CG LYS A 36 7.481 4.604 -5.880 1.00 0.00 C ATOM 561 CD LYS A 36 8.923 4.527 -5.367 1.00 0.00 C ATOM 562 CE LYS A 36 9.258 5.733 -4.486 1.00 0.00 C ATOM 563 NZ LYS A 36 10.631 5.632 -3.963 1.00 0.00 N ATOM 0 H LYS A 36 5.424 6.235 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 36 5.754 6.713 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.934 5.775 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.540 6.731 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.794 4.642 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.245 3.701 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.062 3.607 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.611 4.487 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.150 6.652 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.552 5.792 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.838 6.460 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.723 4.766 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.303 5.599 -4.756 1.00 0.00 H new ATOM 577 N TYR A 37 4.618 3.854 -7.081 1.00 0.00 N ATOM 578 CA TYR A 37 4.098 2.574 -7.538 1.00 0.00 C ATOM 579 C TYR A 37 2.929 2.767 -8.496 1.00 0.00 C ATOM 580 O TYR A 37 2.549 1.824 -9.186 1.00 0.00 O ATOM 581 CB TYR A 37 3.711 1.718 -6.333 1.00 0.00 C ATOM 582 CG TYR A 37 4.930 1.319 -5.537 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.497 2.226 -4.637 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.503 0.052 -5.719 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.667 1.898 -3.942 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.670 -0.287 -5.027 1.00 0.00 C ATOM 587 CZ TYR A 37 7.266 0.637 -4.144 1.00 0.00 C ATOM 588 OH TYR A 37 8.417 0.311 -3.490 1.00 0.00 O ATOM 0 H TYR A 37 4.369 4.087 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 37 4.876 2.051 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.022 2.272 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.185 0.825 -6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.029 3.186 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.045 -0.659 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.108 2.606 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.116 -1.260 -5.169 1.00 0.00 H new ATOM 0 HH TYR A 37 8.198 -0.080 -2.618 1.00 0.00 H new ATOM 598 N GLY A 38 2.358 3.978 -8.547 1.00 0.00 N ATOM 599 CA GLY A 38 1.397 4.299 -9.592 1.00 0.00 C ATOM 600 C GLY A 38 0.314 5.273 -9.140 1.00 0.00 C ATOM 601 O GLY A 38 0.195 6.362 -9.696 1.00 0.00 O ATOM 0 H GLY A 38 2.545 4.733 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.927 4.726 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.926 3.379 -9.938 1.00 0.00 H new ATOM 605 N ARG A 39 -0.473 4.881 -8.132 1.00 0.00 N ATOM 606 CA ARG A 39 -1.553 5.723 -7.642 1.00 0.00 C ATOM 607 C ARG A 39 -1.866 5.431 -6.176 1.00 0.00 C ATOM 608 O ARG A 39 -2.605 4.508 -5.849 1.00 0.00 O ATOM 609 CB ARG A 39 -2.780 5.596 -8.562 1.00 0.00 C ATOM 610 CG ARG A 39 -3.501 4.245 -8.494 1.00 0.00 C ATOM 611 CD ARG A 39 -4.467 4.105 -9.668 1.00 0.00 C ATOM 612 NE ARG A 39 -3.741 3.832 -10.913 1.00 0.00 N ATOM 613 CZ ARG A 39 -4.186 4.108 -12.140 1.00 0.00 C ATOM 614 NH1 ARG A 39 -5.369 4.683 -12.329 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.435 3.796 -13.189 1.00 0.00 N ATOM 0 H ARG A 39 -0.378 3.989 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.235 6.765 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.490 6.383 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.464 5.772 -9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.773 3.434 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.045 4.162 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.173 3.298 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.050 5.020 -9.775 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.822 3.396 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.954 4.921 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.692 4.886 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.528 3.350 -13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.765 4.002 -14.132 1.00 0.00 H new ATOM 629 N VAL A 40 -1.287 6.244 -5.293 1.00 0.00 N ATOM 630 CA VAL A 40 -1.634 6.274 -3.879 1.00 0.00 C ATOM 631 C VAL A 40 -2.989 6.970 -3.749 1.00 0.00 C ATOM 632 O VAL A 40 -3.136 7.997 -3.089 1.00 0.00 O ATOM 633 CB VAL A 40 -0.510 6.942 -3.086 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.200 8.348 -3.603 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.817 6.964 -1.585 1.00 0.00 C ATOM 0 H VAL A 40 -0.555 6.907 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.734 5.274 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 40 0.384 6.336 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.604 8.784 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.108 8.292 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.091 8.971 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.003 7.446 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.739 7.519 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.934 5.943 -1.223 1.00 0.00 H new ATOM 645 N GLY A 41 -3.989 6.380 -4.408 1.00 0.00 N ATOM 646 CA GLY A 41 -5.336 6.916 -4.525 1.00 0.00 C ATOM 647 C GLY A 41 -5.933 7.303 -3.178 1.00 0.00 C ATOM 648 O GLY A 41 -6.854 8.117 -3.136 1.00 0.00 O ATOM 0 H GLY A 41 -3.874 5.488 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.320 7.791 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.977 6.175 -5.003 1.00 0.00 H new ATOM 652 N ASP A 42 -5.424 6.736 -2.083 1.00 0.00 N ATOM 653 CA ASP A 42 -5.800 7.166 -0.751 1.00 0.00 C ATOM 654 C ASP A 42 -4.740 6.749 0.264 1.00 0.00 C ATOM 655 O ASP A 42 -3.915 5.873 -0.001 1.00 0.00 O ATOM 656 CB ASP A 42 -7.164 6.577 -0.374 1.00 0.00 C ATOM 657 CG ASP A 42 -7.719 7.254 0.876 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.443 8.461 1.032 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.410 6.568 1.664 1.00 0.00 O ATOM 0 H ASP A 42 -4.747 5.974 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.873 8.253 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.861 6.704 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.067 5.505 -0.200 1.00 0.00 H new ATOM 664 N VAL A 43 -4.775 7.386 1.435 1.00 0.00 N ATOM 665 CA VAL A 43 -3.908 7.066 2.559 1.00 0.00 C ATOM 666 C VAL A 43 -4.594 7.571 3.825 1.00 0.00 C ATOM 667 O VAL A 43 -5.257 8.608 3.803 1.00 0.00 O ATOM 668 CB VAL A 43 -2.515 7.683 2.355 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.590 9.182 2.055 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.624 7.467 3.582 1.00 0.00 C ATOM 0 H VAL A 43 -5.420 8.152 1.628 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.751 5.991 2.644 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.080 7.174 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.583 9.576 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.169 9.343 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.071 9.696 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.646 7.915 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.085 7.933 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.506 6.399 3.762 1.00 0.00 H new ATOM 680 N TYR A 44 -4.439 6.843 4.933 1.00 0.00 N ATOM 681 CA TYR A 44 -5.097 7.198 6.178 1.00 0.00 C ATOM 682 C TYR A 44 -4.295 6.729 7.393 1.00 0.00 C ATOM 683 O TYR A 44 -3.431 5.861 7.272 1.00 0.00 O ATOM 684 CB TYR A 44 -6.506 6.604 6.187 1.00 0.00 C ATOM 685 CG TYR A 44 -7.416 7.314 7.155 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.606 8.698 7.029 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.065 6.604 8.174 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.426 9.384 7.935 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.898 7.282 9.077 1.00 0.00 C ATOM 690 CZ TYR A 44 -9.072 8.675 8.966 1.00 0.00 C ATOM 691 OH TYR A 44 -9.857 9.349 9.849 1.00 0.00 O ATOM 0 H TYR A 44 -3.861 6.004 4.987 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.162 8.284 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.929 6.661 5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.452 5.548 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.118 9.237 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.924 5.537 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.562 10.451 7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.406 6.735 9.858 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.233 8.720 10.499 1.00 0.00 H new ATOM 701 N ILE A 45 -4.585 7.302 8.561 1.00 0.00 N ATOM 702 CA ILE A 45 -4.008 6.890 9.834 1.00 0.00 C ATOM 703 C ILE A 45 -5.106 7.014 10.891 1.00 0.00 C ATOM 704 O ILE A 45 -5.262 8.063 11.515 1.00 0.00 O ATOM 705 CB ILE A 45 -2.763 7.716 10.196 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.630 7.398 9.211 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.304 7.376 11.618 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.326 8.115 9.566 1.00 0.00 C ATOM 0 H ILE A 45 -5.240 8.079 8.647 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.660 5.859 9.773 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.013 8.776 10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.457 6.322 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.936 7.685 8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.422 7.966 11.866 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.103 7.605 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.060 6.315 11.678 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.442 7.855 8.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.488 9.193 9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.001 7.809 10.560 1.00 0.00 H new ATOM 720 N PRO A 46 -5.878 5.937 11.092 1.00 0.00 N ATOM 721 CA PRO A 46 -6.988 5.877 12.030 1.00 0.00 C ATOM 722 C PRO A 46 -6.522 5.667 13.470 1.00 0.00 C ATOM 723 O PRO A 46 -7.279 5.133 14.280 1.00 0.00 O ATOM 724 CB PRO A 46 -7.811 4.688 11.553 1.00 0.00 C ATOM 725 CG PRO A 46 -6.758 3.735 11.008 1.00 0.00 C ATOM 726 CD PRO A 46 -5.737 4.681 10.383 1.00 0.00 C ATOM 0 HA PRO A 46 -7.550 6.811 12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.379 4.238 12.368 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.529 4.977 10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.316 3.127 11.797 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.176 3.048 10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.726 4.287 10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.925 4.810 9.317 1.00 0.00 H new ATOM 734 N ARG A 47 -5.291 6.084 13.784 1.00 0.00 N ATOM 735 CA ARG A 47 -4.656 5.908 15.089 1.00 0.00 C ATOM 736 C ARG A 47 -5.660 5.950 16.236 1.00 0.00 C ATOM 737 O ARG A 47 -5.770 4.988 16.991 1.00 0.00 O ATOM 738 CB ARG A 47 -3.543 6.951 15.228 1.00 0.00 C ATOM 739 CG ARG A 47 -3.991 8.387 14.947 1.00 0.00 C ATOM 740 CD ARG A 47 -2.778 9.317 14.936 1.00 0.00 C ATOM 741 NE ARG A 47 -3.167 10.685 14.576 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.327 11.726 14.544 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.042 11.576 14.852 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.776 12.930 14.202 1.00 0.00 N ATOM 0 H ARG A 47 -4.693 6.568 13.114 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.216 4.912 15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.137 6.900 16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.733 6.695 14.545 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.506 8.435 13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.702 8.711 15.707 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.306 9.316 15.918 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.038 8.947 14.226 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.143 10.854 14.334 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.685 10.658 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.414 12.379 14.823 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.760 13.059 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.137 13.725 14.177 1.00 0.00 H new ATOM 758 N ASP A 48 -6.388 7.059 16.347 1.00 0.00 N ATOM 759 CA ASP A 48 -7.509 7.232 17.261 1.00 0.00 C ATOM 760 C ASP A 48 -8.392 8.343 16.694 1.00 0.00 C ATOM 761 O ASP A 48 -8.098 8.890 15.630 1.00 0.00 O ATOM 762 CB ASP A 48 -7.014 7.673 18.645 1.00 0.00 C ATOM 763 CG ASP A 48 -5.816 6.875 19.151 1.00 0.00 C ATOM 764 OD1 ASP A 48 -4.679 7.287 18.821 1.00 0.00 O ATOM 765 OD2 ASP A 48 -6.048 5.868 19.856 1.00 0.00 O ATOM 0 H ASP A 48 -6.205 7.889 15.783 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.049 6.291 17.363 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.746 8.729 18.606 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.831 7.578 19.360 1.00 0.00 H new ATOM 770 N ARG A 49 -9.472 8.686 17.401 1.00 0.00 N ATOM 771 CA ARG A 49 -10.288 9.838 17.042 1.00 0.00 C ATOM 772 C ARG A 49 -10.723 10.599 18.301 1.00 0.00 C ATOM 773 O ARG A 49 -11.632 11.424 18.257 1.00 0.00 O ATOM 774 CB ARG A 49 -11.466 9.399 16.167 1.00 0.00 C ATOM 775 CG ARG A 49 -11.999 10.600 15.376 1.00 0.00 C ATOM 776 CD ARG A 49 -13.190 10.201 14.513 1.00 0.00 C ATOM 777 NE ARG A 49 -14.383 9.946 15.329 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.601 10.438 15.070 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.824 11.195 13.998 1.00 0.00 N ATOM 780 NH2 ARG A 49 -16.614 10.173 15.893 1.00 0.00 N ATOM 0 H ARG A 49 -9.798 8.180 18.224 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.698 10.535 16.447 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.149 8.612 15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.257 8.981 16.789 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.294 11.392 16.065 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.208 11.005 14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.402 10.993 13.794 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.942 9.308 13.939 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.277 9.352 16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.060 11.409 13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.759 11.561 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.462 9.596 16.720 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.542 10.547 15.696 1.00 0.00 H new ATOM 794 N TYR A 50 -10.062 10.310 19.428 1.00 0.00 N ATOM 795 CA TYR A 50 -10.312 10.992 20.694 1.00 0.00 C ATOM 796 C TYR A 50 -9.003 11.381 21.384 1.00 0.00 C ATOM 797 O TYR A 50 -9.019 12.144 22.353 1.00 0.00 O ATOM 798 CB TYR A 50 -11.116 10.086 21.632 1.00 0.00 C ATOM 799 CG TYR A 50 -12.153 9.232 20.943 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.318 9.808 20.419 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.937 7.851 20.833 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.273 9.004 19.783 1.00 0.00 C ATOM 803 CE2 TYR A 50 -12.889 7.038 20.206 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.066 7.613 19.677 1.00 0.00 C ATOM 805 OH TYR A 50 -14.997 6.831 19.061 1.00 0.00 O ATOM 0 H TYR A 50 -9.338 9.594 19.483 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.877 11.898 20.473 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.425 9.435 22.167 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.612 10.706 22.378 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.480 10.872 20.505 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.034 7.413 21.233 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.168 9.449 19.374 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.724 5.974 20.127 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.699 5.897 19.073 1.00 0.00 H new ATOM 815 N THR A 51 -7.874 10.860 20.890 1.00 0.00 N ATOM 816 CA THR A 51 -6.552 11.119 21.449 1.00 0.00 C ATOM 817 C THR A 51 -5.516 11.335 20.344 1.00 0.00 C ATOM 818 O THR A 51 -4.449 11.888 20.608 1.00 0.00 O ATOM 819 CB THR A 51 -6.143 9.932 22.328 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.951 8.800 21.513 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.224 9.599 23.360 1.00 0.00 C ATOM 0 H THR A 51 -7.858 10.240 20.081 1.00 0.00 H new ATOM 0 HA THR A 51 -6.594 12.030 22.046 1.00 0.00 H new ATOM 0 HB THR A 51 -5.226 10.203 22.852 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.688 8.037 22.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.900 8.753 23.966 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.391 10.463 24.003 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.151 9.344 22.847 1.00 0.00 H new ATOM 828 N LYS A 52 -5.831 10.904 19.112 1.00 0.00 N ATOM 829 CA LYS A 52 -5.040 11.071 17.903 1.00 0.00 C ATOM 830 C LYS A 52 -3.537 10.991 18.150 1.00 0.00 C ATOM 831 O LYS A 52 -2.806 11.920 17.814 1.00 0.00 O ATOM 832 CB LYS A 52 -5.443 12.377 17.208 1.00 0.00 C ATOM 833 CG LYS A 52 -6.933 12.360 16.846 1.00 0.00 C ATOM 834 CD LYS A 52 -7.344 13.697 16.227 1.00 0.00 C ATOM 835 CE LYS A 52 -8.838 13.671 15.893 1.00 0.00 C ATOM 836 NZ LYS A 52 -9.291 14.972 15.362 1.00 0.00 N ATOM 0 H LYS A 52 -6.700 10.400 18.933 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.259 10.233 17.242 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.232 13.223 17.862 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.846 12.514 16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.135 11.550 16.145 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.529 12.166 17.738 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.130 14.511 16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.763 13.885 15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.036 12.888 15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.409 13.422 16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.307 14.924 15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.123 15.714 16.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.762 15.196 14.495 1.00 0.00 H new ATOM 850 N GLU A 53 -3.065 9.888 18.734 1.00 0.00 N ATOM 851 CA GLU A 53 -1.645 9.776 19.065 1.00 0.00 C ATOM 852 C GLU A 53 -1.082 8.352 18.984 1.00 0.00 C ATOM 853 O GLU A 53 0.106 8.173 19.237 1.00 0.00 O ATOM 854 CB GLU A 53 -1.406 10.347 20.468 1.00 0.00 C ATOM 855 CG GLU A 53 -2.125 9.526 21.542 1.00 0.00 C ATOM 856 CD GLU A 53 -1.807 10.065 22.935 1.00 0.00 C ATOM 857 OE1 GLU A 53 -0.767 9.647 23.494 1.00 0.00 O ATOM 858 OE2 GLU A 53 -2.598 10.894 23.438 1.00 0.00 O ATOM 0 H GLU A 53 -3.631 9.077 18.983 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.111 10.348 18.307 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.336 10.363 20.677 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.754 11.379 20.505 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.201 9.557 21.371 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.821 8.481 21.473 1.00 0.00 H new ATOM 865 N SER A 54 -1.884 7.336 18.642 1.00 0.00 N ATOM 866 CA SER A 54 -1.360 5.975 18.599 1.00 0.00 C ATOM 867 C SER A 54 -0.254 5.841 17.550 1.00 0.00 C ATOM 868 O SER A 54 0.797 5.270 17.833 1.00 0.00 O ATOM 869 CB SER A 54 -2.500 4.995 18.323 1.00 0.00 C ATOM 870 OG SER A 54 -1.989 3.683 18.227 1.00 0.00 O ATOM 0 H SER A 54 -2.870 7.429 18.398 1.00 0.00 H new ATOM 0 HA SER A 54 -0.918 5.739 19.567 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.240 5.049 19.121 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.009 5.266 17.398 1.00 0.00 H new ATOM 0 HG SER A 54 -2.723 3.058 18.052 1.00 0.00 H new ATOM 876 N ARG A 55 -0.515 6.380 16.351 1.00 0.00 N ATOM 877 CA ARG A 55 0.352 6.433 15.168 1.00 0.00 C ATOM 878 C ARG A 55 1.244 5.205 14.915 1.00 0.00 C ATOM 879 O ARG A 55 2.229 5.304 14.185 1.00 0.00 O ATOM 880 CB ARG A 55 1.151 7.741 15.199 1.00 0.00 C ATOM 881 CG ARG A 55 2.385 7.670 16.107 1.00 0.00 C ATOM 882 CD ARG A 55 3.006 9.059 16.302 1.00 0.00 C ATOM 883 NE ARG A 55 3.114 9.810 15.042 1.00 0.00 N ATOM 884 CZ ARG A 55 3.889 9.483 14.005 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.670 8.409 14.036 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.892 10.234 12.907 1.00 0.00 N ATOM 0 H ARG A 55 -1.414 6.827 16.170 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.313 6.408 14.305 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.466 7.991 14.186 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.502 8.548 15.540 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.105 7.254 17.075 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.123 6.996 15.672 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.402 9.627 17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.997 8.952 16.743 1.00 0.00 H new ATOM 0 HE ARG A 55 2.548 10.654 14.953 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.686 7.814 14.864 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.253 8.179 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.301 11.063 12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.486 9.980 12.117 1.00 0.00 H new ATOM 900 N GLY A 56 0.916 4.054 15.504 1.00 0.00 N ATOM 901 CA GLY A 56 1.713 2.842 15.380 1.00 0.00 C ATOM 902 C GLY A 56 1.574 2.177 14.012 1.00 0.00 C ATOM 903 O GLY A 56 2.311 1.242 13.712 1.00 0.00 O ATOM 0 H GLY A 56 0.084 3.940 16.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.761 3.083 15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.414 2.135 16.154 1.00 0.00 H new ATOM 907 N PHE A 57 0.638 2.649 13.184 1.00 0.00 N ATOM 908 CA PHE A 57 0.393 2.091 11.866 1.00 0.00 C ATOM 909 C PHE A 57 -0.303 3.119 10.976 1.00 0.00 C ATOM 910 O PHE A 57 -0.571 4.241 11.398 1.00 0.00 O ATOM 911 CB PHE A 57 -0.454 0.826 11.996 1.00 0.00 C ATOM 912 CG PHE A 57 -1.874 1.127 12.411 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.191 1.323 13.758 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.871 1.219 11.431 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.504 1.624 14.129 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.182 1.530 11.799 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.504 1.725 13.151 1.00 0.00 C ATOM 0 H PHE A 57 0.029 3.434 13.417 1.00 0.00 H new ATOM 0 HA PHE A 57 1.345 1.832 11.402 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.461 0.297 11.043 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.002 0.159 12.728 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.422 1.242 14.512 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.626 1.050 10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.749 1.779 15.169 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.948 1.620 11.043 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.520 1.952 13.438 1.00 0.00 H new ATOM 927 N ALA A 58 -0.591 2.711 9.739 1.00 0.00 N ATOM 928 CA ALA A 58 -1.247 3.540 8.745 1.00 0.00 C ATOM 929 C ALA A 58 -2.063 2.659 7.808 1.00 0.00 C ATOM 930 O ALA A 58 -2.132 1.447 7.989 1.00 0.00 O ATOM 931 CB ALA A 58 -0.194 4.335 7.966 1.00 0.00 C ATOM 0 H ALA A 58 -0.367 1.775 9.400 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.920 4.244 9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.687 4.958 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.366 4.968 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.489 3.645 7.470 1.00 0.00 H new ATOM 937 N PHE A 59 -2.676 3.287 6.808 1.00 0.00 N ATOM 938 CA PHE A 59 -3.542 2.631 5.852 1.00 0.00 C ATOM 939 C PHE A 59 -3.356 3.279 4.480 1.00 0.00 C ATOM 940 O PHE A 59 -4.203 4.054 4.038 1.00 0.00 O ATOM 941 CB PHE A 59 -4.982 2.757 6.358 1.00 0.00 C ATOM 942 CG PHE A 59 -6.007 1.852 5.709 1.00 0.00 C ATOM 943 CD1 PHE A 59 -5.964 1.528 4.346 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.030 1.323 6.510 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.927 0.673 3.791 1.00 0.00 C ATOM 946 CE2 PHE A 59 -7.991 0.470 5.957 1.00 0.00 C ATOM 947 CZ PHE A 59 -7.939 0.140 4.598 1.00 0.00 C ATOM 0 H PHE A 59 -2.577 4.289 6.642 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.299 1.573 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.985 2.562 7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.303 3.790 6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.185 1.939 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.076 1.576 7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.888 0.426 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.775 0.065 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.677 -0.524 4.173 1.00 0.00 H new ATOM 957 N VAL A 60 -2.250 2.978 3.797 1.00 0.00 N ATOM 958 CA VAL A 60 -2.082 3.466 2.425 1.00 0.00 C ATOM 959 C VAL A 60 -2.963 2.604 1.528 1.00 0.00 C ATOM 960 O VAL A 60 -3.190 1.444 1.868 1.00 0.00 O ATOM 961 CB VAL A 60 -0.627 3.389 1.962 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.452 4.153 0.653 1.00 0.00 C ATOM 963 CG2 VAL A 60 0.320 3.986 2.999 1.00 0.00 C ATOM 0 H VAL A 60 -1.478 2.416 4.156 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.369 4.516 2.376 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.385 2.335 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.588 4.092 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.094 3.716 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.725 5.198 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.346 3.915 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.065 5.033 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.226 3.437 3.936 1.00 0.00 H new ATOM 973 N ARG A 61 -3.463 3.128 0.405 1.00 0.00 N ATOM 974 CA ARG A 61 -4.357 2.350 -0.444 1.00 0.00 C ATOM 975 C ARG A 61 -4.228 2.685 -1.927 1.00 0.00 C ATOM 976 O ARG A 61 -3.808 3.777 -2.306 1.00 0.00 O ATOM 977 CB ARG A 61 -5.797 2.565 0.052 1.00 0.00 C ATOM 978 CG ARG A 61 -6.861 2.104 -0.954 1.00 0.00 C ATOM 979 CD ARG A 61 -8.235 1.959 -0.298 1.00 0.00 C ATOM 980 NE ARG A 61 -8.648 3.178 0.397 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.745 3.265 1.150 1.00 0.00 C ATOM 982 NH1 ARG A 61 -10.585 2.235 1.237 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.014 4.378 1.821 1.00 0.00 N ATOM 0 H ARG A 61 -3.266 4.071 0.070 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.077 1.300 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.935 2.026 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.945 3.623 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.923 2.821 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.562 1.150 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.974 1.709 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.212 1.130 0.409 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.064 4.008 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.391 1.374 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.423 2.307 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.380 5.175 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.855 4.437 2.395 1.00 0.00 H new ATOM 997 N PHE A 62 -4.602 1.707 -2.763 1.00 0.00 N ATOM 998 CA PHE A 62 -4.619 1.827 -4.219 1.00 0.00 C ATOM 999 C PHE A 62 -5.981 1.389 -4.760 1.00 0.00 C ATOM 1000 O PHE A 62 -6.723 0.679 -4.078 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.533 0.946 -4.837 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.122 1.334 -4.457 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.673 1.117 -3.149 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.266 1.902 -5.407 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.371 1.480 -2.784 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.036 2.259 -5.048 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.484 2.049 -3.737 1.00 0.00 C ATOM 0 H PHE A 62 -4.907 0.791 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.433 2.868 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.706 -0.087 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.627 0.982 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.332 0.669 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.612 2.064 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.027 1.322 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.697 2.697 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.491 2.326 -3.461 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.297 1.822 -5.985 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.604 1.588 -6.591 1.00 0.00 C ATOM 1019 C HIS A 63 -7.506 0.877 -7.937 1.00 0.00 C ATOM 1020 O HIS A 63 -8.540 0.567 -8.530 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.322 2.927 -6.784 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.380 3.786 -5.551 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.690 3.362 -4.257 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.137 5.125 -5.542 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -8.645 4.473 -3.500 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.318 5.544 -4.245 1.00 0.00 N ATOM 0 H HIS A 63 -5.653 2.343 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.163 0.941 -5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.820 3.483 -7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.339 2.734 -7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.857 5.737 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.844 4.501 -2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.221 6.501 -3.906 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.288 0.613 -8.421 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.093 -0.099 -9.675 1.00 0.00 C ATOM 1036 C ASP A 64 -5.185 -1.300 -9.451 1.00 0.00 C ATOM 1037 O ASP A 64 -4.152 -1.199 -8.788 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.535 0.844 -10.741 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.473 0.158 -12.104 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.667 -0.790 -12.240 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.233 0.582 -13.002 1.00 0.00 O ATOM 0 H ASP A 64 -5.422 0.886 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.053 -0.467 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.160 1.734 -10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.538 1.176 -10.452 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.584 -2.442 -10.014 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.945 -3.717 -9.740 1.00 0.00 C ATOM 1048 C LYS A 65 -3.512 -3.798 -10.246 1.00 0.00 C ATOM 1049 O LYS A 65 -2.725 -4.556 -9.687 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.824 -4.844 -10.294 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.904 -4.862 -11.826 1.00 0.00 C ATOM 1052 CD LYS A 65 -4.837 -5.761 -12.466 1.00 0.00 C ATOM 1053 CE LYS A 65 -5.080 -7.225 -12.093 1.00 0.00 C ATOM 1054 NZ LYS A 65 -4.029 -8.094 -12.654 1.00 0.00 N ATOM 0 H LYS A 65 -6.361 -2.502 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.857 -3.827 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.435 -5.801 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.830 -4.743 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.893 -5.206 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.790 -3.846 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.858 -5.647 -13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.846 -5.454 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.102 -7.329 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.055 -7.542 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.197 -9.077 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.048 -8.036 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.099 -7.783 -12.307 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.140 -3.043 -11.286 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.797 -3.174 -11.834 1.00 0.00 C ATOM 1070 C ARG A 66 -0.780 -2.541 -10.890 1.00 0.00 C ATOM 1071 O ARG A 66 0.309 -3.080 -10.689 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.748 -2.562 -13.244 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.557 -1.042 -13.235 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.939 -0.433 -14.584 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.395 -0.302 -14.685 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.060 0.038 -15.790 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.410 0.231 -16.935 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.383 0.177 -15.744 1.00 0.00 N ATOM 0 H ARG A 66 -3.734 -2.356 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.536 -4.228 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.933 -3.021 -13.804 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.672 -2.803 -13.770 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.167 -0.600 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.518 -0.804 -13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.470 0.544 -14.696 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.566 -1.060 -15.393 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.943 -0.485 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.397 0.119 -16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.925 0.491 -17.776 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.882 0.024 -14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.898 0.437 -16.585 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.140 -1.395 -10.305 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.261 -0.689 -9.388 1.00 0.00 C ATOM 1094 C ASP A 67 -0.351 -1.318 -8.002 1.00 0.00 C ATOM 1095 O ASP A 67 0.599 -1.246 -7.225 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.676 0.780 -9.329 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.578 1.452 -10.696 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.381 1.141 -11.437 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.469 2.278 -10.993 1.00 0.00 O ATOM 0 H ASP A 67 -2.040 -0.940 -10.456 1.00 0.00 H new ATOM 0 HA ASP A 67 0.769 -0.759 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.699 0.854 -8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.041 1.309 -8.618 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.494 -1.936 -7.693 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.688 -2.595 -6.416 1.00 0.00 C ATOM 1106 C ALA A 68 -0.897 -3.901 -6.353 1.00 0.00 C ATOM 1107 O ALA A 68 -0.345 -4.241 -5.306 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.181 -2.874 -6.224 1.00 0.00 C ATOM 0 H ALA A 68 -2.298 -1.989 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.327 -1.945 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.338 -3.370 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.732 -1.934 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.537 -3.518 -7.028 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.826 -4.642 -7.462 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.063 -5.883 -7.485 1.00 0.00 C ATOM 1116 C GLU A 69 1.433 -5.598 -7.395 1.00 0.00 C ATOM 1117 O GLU A 69 2.160 -6.360 -6.763 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.366 -6.684 -8.751 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.748 -7.337 -8.657 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.056 -8.153 -9.907 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.877 -7.610 -11.022 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.473 -9.322 -9.746 1.00 0.00 O ATOM 0 H GLU A 69 -1.283 -4.405 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.360 -6.474 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.326 -6.029 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.396 -7.451 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.790 -7.981 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.509 -6.568 -8.525 1.00 0.00 H new ATOM 1129 N ASP A 70 1.911 -4.511 -8.012 1.00 0.00 N ATOM 1130 CA ASP A 70 3.314 -4.152 -7.877 1.00 0.00 C ATOM 1131 C ASP A 70 3.617 -3.662 -6.462 1.00 0.00 C ATOM 1132 O ASP A 70 4.676 -3.957 -5.907 1.00 0.00 O ATOM 1133 CB ASP A 70 3.670 -3.046 -8.872 1.00 0.00 C ATOM 1134 CG ASP A 70 3.726 -3.542 -10.318 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.945 -4.757 -10.516 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.552 -2.695 -11.221 1.00 0.00 O ATOM 0 H ASP A 70 1.357 -3.883 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 70 3.910 -5.042 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.934 -2.245 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.636 -2.618 -8.602 1.00 0.00 H new ATOM 1141 N ALA A 71 2.677 -2.913 -5.872 1.00 0.00 N ATOM 1142 CA ALA A 71 2.866 -2.347 -4.548 1.00 0.00 C ATOM 1143 C ALA A 71 3.082 -3.436 -3.503 1.00 0.00 C ATOM 1144 O ALA A 71 3.809 -3.212 -2.538 1.00 0.00 O ATOM 1145 CB ALA A 71 1.662 -1.481 -4.186 1.00 0.00 C ATOM 0 H ALA A 71 1.778 -2.689 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 71 3.763 -1.728 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.805 -1.057 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.561 -0.676 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.759 -2.092 -4.194 1.00 0.00 H new ATOM 1151 N MET A 72 2.471 -4.612 -3.672 1.00 0.00 N ATOM 1152 CA MET A 72 2.671 -5.682 -2.700 1.00 0.00 C ATOM 1153 C MET A 72 3.807 -6.607 -3.121 1.00 0.00 C ATOM 1154 O MET A 72 4.431 -7.244 -2.278 1.00 0.00 O ATOM 1155 CB MET A 72 1.370 -6.465 -2.500 1.00 0.00 C ATOM 1156 CG MET A 72 1.094 -7.299 -3.738 1.00 0.00 C ATOM 1157 SD MET A 72 -0.525 -8.100 -3.811 1.00 0.00 S ATOM 1158 CE MET A 72 -0.267 -9.053 -5.329 1.00 0.00 C ATOM 0 H MET A 72 1.852 -4.841 -4.450 1.00 0.00 H new ATOM 0 HA MET A 72 2.954 -5.231 -1.749 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.450 -7.108 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.543 -5.779 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.200 -6.659 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.862 -8.069 -3.811 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.213 -9.154 -5.861 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.453 -8.537 -5.964 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.115 -10.042 -5.077 1.00 0.00 H new ATOM 1168 N ASP A 73 4.084 -6.686 -4.427 1.00 0.00 N ATOM 1169 CA ASP A 73 5.182 -7.488 -4.941 1.00 0.00 C ATOM 1170 C ASP A 73 6.536 -6.860 -4.601 1.00 0.00 C ATOM 1171 O ASP A 73 7.574 -7.485 -4.811 1.00 0.00 O ATOM 1172 CB ASP A 73 5.018 -7.644 -6.455 1.00 0.00 C ATOM 1173 CG ASP A 73 6.073 -8.570 -7.052 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.090 -9.756 -6.648 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.854 -8.090 -7.906 1.00 0.00 O ATOM 0 H ASP A 73 3.553 -6.197 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 73 5.157 -8.470 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.025 -8.037 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.085 -6.665 -6.930 1.00 0.00 H new ATOM 1180 N ALA A 74 6.537 -5.630 -4.072 1.00 0.00 N ATOM 1181 CA ALA A 74 7.772 -4.926 -3.751 1.00 0.00 C ATOM 1182 C ALA A 74 7.780 -4.278 -2.361 1.00 0.00 C ATOM 1183 O ALA A 74 8.841 -3.828 -1.930 1.00 0.00 O ATOM 1184 CB ALA A 74 7.993 -3.870 -4.826 1.00 0.00 C ATOM 0 H ALA A 74 5.689 -5.105 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 74 8.579 -5.658 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.912 -3.323 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.074 -4.353 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.152 -3.177 -4.833 1.00 0.00 H new ATOM 1190 N MET A 75 6.645 -4.221 -1.657 1.00 0.00 N ATOM 1191 CA MET A 75 6.643 -3.720 -0.281 1.00 0.00 C ATOM 1192 C MET A 75 6.333 -4.808 0.745 1.00 0.00 C ATOM 1193 O MET A 75 6.794 -4.686 1.877 1.00 0.00 O ATOM 1194 CB MET A 75 5.627 -2.596 -0.095 1.00 0.00 C ATOM 1195 CG MET A 75 5.946 -1.345 -0.912 1.00 0.00 C ATOM 1196 SD MET A 75 7.435 -0.464 -0.379 1.00 0.00 S ATOM 1197 CE MET A 75 6.898 1.226 -0.753 1.00 0.00 C ATOM 0 H MET A 75 5.732 -4.510 -2.010 1.00 0.00 H new ATOM 0 HA MET A 75 7.654 -3.349 -0.111 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.639 -2.961 -0.374 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.582 -2.329 0.961 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.061 -1.629 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.097 -0.664 -0.858 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.660 1.726 -1.351 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.961 1.195 -1.310 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.749 1.775 0.177 1.00 0.00 H new ATOM 1207 N ASP A 76 5.579 -5.860 0.399 1.00 0.00 N ATOM 1208 CA ASP A 76 5.347 -6.921 1.369 1.00 0.00 C ATOM 1209 C ASP A 76 6.673 -7.553 1.787 1.00 0.00 C ATOM 1210 O ASP A 76 7.363 -8.155 0.964 1.00 0.00 O ATOM 1211 CB ASP A 76 4.413 -7.980 0.790 1.00 0.00 C ATOM 1212 CG ASP A 76 4.084 -9.049 1.826 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.967 -8.684 3.018 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.954 -10.224 1.416 1.00 0.00 O ATOM 0 H ASP A 76 5.137 -5.992 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 76 4.873 -6.488 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.493 -7.508 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.879 -8.443 -0.080 1.00 0.00 H new ATOM 1219 N GLY A 77 7.036 -7.426 3.067 1.00 0.00 N ATOM 1220 CA GLY A 77 8.260 -8.011 3.597 1.00 0.00 C ATOM 1221 C GLY A 77 9.437 -7.037 3.609 1.00 0.00 C ATOM 1222 O GLY A 77 10.545 -7.427 3.976 1.00 0.00 O ATOM 0 H GLY A 77 6.488 -6.915 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.077 -8.362 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.525 -8.884 3.001 1.00 0.00 H new ATOM 1226 N ALA A 78 9.218 -5.778 3.216 1.00 0.00 N ATOM 1227 CA ALA A 78 10.264 -4.767 3.223 1.00 0.00 C ATOM 1228 C ALA A 78 10.605 -4.369 4.661 1.00 0.00 C ATOM 1229 O ALA A 78 10.070 -4.941 5.612 1.00 0.00 O ATOM 1230 CB ALA A 78 9.791 -3.557 2.415 1.00 0.00 C ATOM 0 H ALA A 78 8.314 -5.439 2.887 1.00 0.00 H new ATOM 0 HA ALA A 78 11.169 -5.167 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.569 -2.793 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.582 -3.863 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.885 -3.151 2.864 1.00 0.00 H new ATOM 1236 N VAL A 79 11.495 -3.386 4.828 1.00 0.00 N ATOM 1237 CA VAL A 79 11.903 -2.913 6.145 1.00 0.00 C ATOM 1238 C VAL A 79 11.971 -1.388 6.153 1.00 0.00 C ATOM 1239 O VAL A 79 12.757 -0.795 5.413 1.00 0.00 O ATOM 1240 CB VAL A 79 13.264 -3.518 6.524 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.757 -2.983 7.868 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.176 -5.042 6.616 1.00 0.00 C ATOM 0 H VAL A 79 11.949 -2.900 4.054 1.00 0.00 H new ATOM 0 HA VAL A 79 11.167 -3.231 6.883 1.00 0.00 H new ATOM 0 HB VAL A 79 13.966 -3.232 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.722 -3.431 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.864 -1.900 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.037 -3.236 8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.151 -5.447 6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.445 -5.319 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.868 -5.448 5.652 1.00 0.00 H new ATOM 1252 N LEU A 80 11.151 -0.755 6.997 1.00 0.00 N ATOM 1253 CA LEU A 80 11.133 0.698 7.133 1.00 0.00 C ATOM 1254 C LEU A 80 12.426 1.172 7.791 1.00 0.00 C ATOM 1255 O LEU A 80 13.144 1.995 7.224 1.00 0.00 O ATOM 1256 CB LEU A 80 9.904 1.091 7.971 1.00 0.00 C ATOM 1257 CG LEU A 80 9.544 2.583 7.972 1.00 0.00 C ATOM 1258 CD1 LEU A 80 10.571 3.448 8.692 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.350 3.106 6.550 1.00 0.00 C ATOM 0 H LEU A 80 10.485 -1.236 7.601 1.00 0.00 H new ATOM 0 HA LEU A 80 11.066 1.174 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.044 0.530 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.075 0.777 9.001 1.00 0.00 H new ATOM 0 HG LEU A 80 8.606 2.657 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.257 4.491 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.651 3.128 9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.540 3.344 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.096 4.165 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.272 2.972 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.544 2.555 6.066 1.00 0.00 H new ATOM 1271 N ASP A 81 12.716 0.648 8.983 1.00 0.00 N ATOM 1272 CA ASP A 81 13.915 1.009 9.732 1.00 0.00 C ATOM 1273 C ASP A 81 14.404 -0.133 10.633 1.00 0.00 C ATOM 1274 O ASP A 81 15.411 0.018 11.321 1.00 0.00 O ATOM 1275 CB ASP A 81 13.608 2.256 10.567 1.00 0.00 C ATOM 1276 CG ASP A 81 14.849 2.814 11.259 1.00 0.00 C ATOM 1277 OD1 ASP A 81 15.823 3.123 10.536 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.819 2.927 12.504 1.00 0.00 O ATOM 0 H ASP A 81 12.125 -0.038 9.454 1.00 0.00 H new ATOM 0 HA ASP A 81 14.719 1.212 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.178 3.024 9.924 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.856 2.011 11.317 1.00 0.00 H new ATOM 1283 N GLY A 82 13.711 -1.276 10.647 1.00 0.00 N ATOM 1284 CA GLY A 82 14.132 -2.410 11.458 1.00 0.00 C ATOM 1285 C GLY A 82 13.028 -3.445 11.688 1.00 0.00 C ATOM 1286 O GLY A 82 13.302 -4.504 12.251 1.00 0.00 O ATOM 0 H GLY A 82 12.861 -1.435 10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.979 -2.897 10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.482 -2.045 12.423 1.00 0.00 H new ATOM 1290 N ARG A 83 11.793 -3.157 11.262 1.00 0.00 N ATOM 1291 CA ARG A 83 10.689 -4.107 11.325 1.00 0.00 C ATOM 1292 C ARG A 83 10.191 -4.392 9.913 1.00 0.00 C ATOM 1293 O ARG A 83 10.801 -3.954 8.940 1.00 0.00 O ATOM 1294 CB ARG A 83 9.580 -3.573 12.227 1.00 0.00 C ATOM 1295 CG ARG A 83 8.886 -2.375 11.582 1.00 0.00 C ATOM 1296 CD ARG A 83 7.734 -1.873 12.446 1.00 0.00 C ATOM 1297 NE ARG A 83 8.166 -1.542 13.809 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.321 -1.242 14.799 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.009 -1.190 14.577 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.790 -0.989 16.018 1.00 0.00 N ATOM 0 H ARG A 83 11.536 -2.254 10.863 1.00 0.00 H new ATOM 0 HA ARG A 83 11.030 -5.046 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.851 -4.360 12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.998 -3.282 13.191 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.607 -1.572 11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.510 -2.656 10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.292 -0.991 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.955 -2.635 12.488 1.00 0.00 H new ATOM 0 HE ARG A 83 9.166 -1.541 14.011 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.642 -1.380 13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.371 -0.960 15.339 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.794 -1.024 16.196 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.146 -0.760 16.775 1.00 0.00 H new ATOM 1314 N GLU A 84 9.082 -5.119 9.794 1.00 0.00 N ATOM 1315 CA GLU A 84 8.581 -5.564 8.503 1.00 0.00 C ATOM 1316 C GLU A 84 7.525 -4.603 7.971 1.00 0.00 C ATOM 1317 O GLU A 84 7.055 -3.727 8.693 1.00 0.00 O ATOM 1318 CB GLU A 84 7.962 -6.956 8.644 1.00 0.00 C ATOM 1319 CG GLU A 84 9.029 -8.012 8.929 1.00 0.00 C ATOM 1320 CD GLU A 84 8.413 -9.409 8.992 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.519 -9.691 8.160 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.841 -10.192 9.872 1.00 0.00 O ATOM 0 H GLU A 84 8.511 -5.413 10.587 1.00 0.00 H new ATOM 0 HA GLU A 84 9.416 -5.594 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.229 -6.950 9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.428 -7.213 7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.792 -7.982 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.526 -7.787 9.873 1.00 0.00 H new ATOM 1329 N LEU A 85 7.153 -4.777 6.702 1.00 0.00 N ATOM 1330 CA LEU A 85 6.039 -4.064 6.099 1.00 0.00 C ATOM 1331 C LEU A 85 5.011 -5.079 5.626 1.00 0.00 C ATOM 1332 O LEU A 85 5.339 -6.240 5.382 1.00 0.00 O ATOM 1333 CB LEU A 85 6.484 -3.198 4.920 1.00 0.00 C ATOM 1334 CG LEU A 85 6.983 -1.823 5.367 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.362 -1.905 6.006 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.055 -0.897 4.155 1.00 0.00 C ATOM 0 H LEU A 85 7.622 -5.421 6.065 1.00 0.00 H new ATOM 0 HA LEU A 85 5.611 -3.399 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.277 -3.710 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.651 -3.073 4.229 1.00 0.00 H new ATOM 0 HG LEU A 85 6.284 -1.437 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.682 -0.908 6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.320 -2.555 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.073 -2.310 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.410 0.085 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.742 -1.314 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.064 -0.800 3.712 1.00 0.00 H new ATOM 1348 N ARG A 86 3.767 -4.621 5.496 1.00 0.00 N ATOM 1349 CA ARG A 86 2.644 -5.446 5.084 1.00 0.00 C ATOM 1350 C ARG A 86 1.816 -4.667 4.083 1.00 0.00 C ATOM 1351 O ARG A 86 1.668 -3.451 4.192 1.00 0.00 O ATOM 1352 CB ARG A 86 1.773 -5.750 6.305 1.00 0.00 C ATOM 1353 CG ARG A 86 2.350 -6.807 7.252 1.00 0.00 C ATOM 1354 CD ARG A 86 2.262 -8.214 6.656 1.00 0.00 C ATOM 1355 NE ARG A 86 3.397 -8.532 5.786 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.580 -8.982 6.217 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.840 -9.127 7.515 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.517 -9.291 5.328 1.00 0.00 N ATOM 0 H ARG A 86 3.512 -3.650 5.678 1.00 0.00 H new ATOM 0 HA ARG A 86 3.005 -6.375 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.618 -4.827 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.794 -6.084 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.391 -6.569 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.811 -6.779 8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.213 -8.944 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.337 -8.306 6.087 1.00 0.00 H new ATOM 0 HE ARG A 86 3.276 -8.401 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.128 -8.893 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.751 -9.472 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.329 -9.184 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.424 -9.635 5.642 1.00 0.00 H new ATOM 1372 N VAL A 87 1.281 -5.388 3.105 1.00 0.00 N ATOM 1373 CA VAL A 87 0.442 -4.806 2.072 1.00 0.00 C ATOM 1374 C VAL A 87 -0.338 -5.933 1.409 1.00 0.00 C ATOM 1375 O VAL A 87 0.250 -6.908 0.946 1.00 0.00 O ATOM 1376 CB VAL A 87 1.319 -4.035 1.080 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.543 -4.841 0.654 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.528 -3.640 -0.162 1.00 0.00 C ATOM 0 H VAL A 87 1.419 -6.394 3.008 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.271 -4.093 2.487 1.00 0.00 H new ATOM 0 HB VAL A 87 1.655 -3.137 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.137 -4.257 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.147 -5.076 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.221 -5.766 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.176 -3.094 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.152 -4.537 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.310 -3.006 0.127 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.662 -5.800 1.359 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.527 -6.827 0.800 1.00 0.00 C ATOM 1390 C GLN A 88 -3.913 -6.257 0.529 1.00 0.00 C ATOM 1391 O GLN A 88 -4.233 -5.161 0.977 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.624 -8.018 1.765 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.177 -7.643 3.148 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.174 -6.875 4.002 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.043 -7.316 4.203 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.577 -5.713 4.516 1.00 0.00 N ATOM 0 H GLN A 88 -2.160 -4.979 1.704 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.100 -7.171 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.262 -8.783 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.635 -8.459 1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.076 -7.040 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.473 -8.551 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.521 -5.374 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.941 -5.163 5.094 1.00 0.00 H new ATOM 1405 N MET A 89 -4.736 -7.006 -0.211 1.00 0.00 N ATOM 1406 CA MET A 89 -6.080 -6.574 -0.554 1.00 0.00 C ATOM 1407 C MET A 89 -6.944 -6.480 0.703 1.00 0.00 C ATOM 1408 O MET A 89 -6.812 -7.296 1.616 1.00 0.00 O ATOM 1409 CB MET A 89 -6.689 -7.550 -1.560 1.00 0.00 C ATOM 1410 CG MET A 89 -5.800 -7.662 -2.803 1.00 0.00 C ATOM 1411 SD MET A 89 -5.534 -6.097 -3.676 1.00 0.00 S ATOM 1412 CE MET A 89 -4.156 -6.591 -4.739 1.00 0.00 C ATOM 0 H MET A 89 -4.485 -7.922 -0.584 1.00 0.00 H new ATOM 0 HA MET A 89 -6.036 -5.584 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.806 -8.531 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.685 -7.212 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.833 -8.068 -2.508 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.249 -8.377 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.852 -5.746 -5.357 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.316 -6.909 -4.121 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.468 -7.416 -5.380 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.833 -5.486 0.753 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.743 -5.302 1.869 1.00 0.00 C ATOM 1424 C ALA A 90 -9.793 -6.418 1.922 1.00 0.00 C ATOM 1425 O ALA A 90 -9.828 -7.296 1.060 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.416 -3.933 1.757 1.00 0.00 C ATOM 0 H ALA A 90 -7.937 -4.788 0.016 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.171 -5.348 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.100 -3.794 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.656 -3.152 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.972 -3.877 0.821 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.658 -6.379 2.942 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.716 -7.371 3.137 1.00 0.00 C ATOM 1434 C ARG A 91 -13.046 -6.731 3.512 1.00 0.00 C ATOM 1435 O ARG A 91 -14.067 -7.414 3.552 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.296 -8.346 4.235 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.261 -7.664 5.603 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.654 -8.582 6.663 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.465 -9.788 6.867 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.201 -10.717 7.791 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.160 -10.590 8.607 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -11.986 -11.786 7.898 1.00 0.00 N ATOM 0 H ARG A 91 -10.642 -5.653 3.658 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.858 -7.894 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.990 -9.186 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.312 -8.754 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.680 -6.744 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.272 -7.382 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.646 -8.868 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.564 -8.041 7.605 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.279 -9.925 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.550 -9.776 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.971 -11.307 9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.787 -11.895 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.787 -12.497 8.602 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.018 -5.427 3.779 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.206 -4.658 4.116 1.00 0.00 C ATOM 1458 C TYR A 92 -14.223 -3.350 3.330 1.00 0.00 C ATOM 1459 O TYR A 92 -13.206 -2.952 2.764 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.227 -4.330 5.615 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.141 -5.510 6.556 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.045 -6.578 6.440 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.152 -5.524 7.551 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.955 -7.666 7.324 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.057 -6.607 8.437 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.961 -7.681 8.325 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.870 -8.734 9.184 1.00 0.00 O ATOM 0 H TYR A 92 -12.161 -4.873 3.766 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.081 -5.257 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.396 -3.658 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.144 -3.783 5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.806 -6.563 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.461 -4.698 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.647 -8.491 7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.294 -6.617 9.202 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.130 -8.583 9.809 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.379 -2.672 3.294 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.468 -1.366 2.661 1.00 0.00 C ATOM 1479 C GLY A 93 -14.923 -0.304 3.612 1.00 0.00 C ATOM 1480 O GLY A 93 -14.184 0.584 3.185 1.00 0.00 O ATOM 0 H GLY A 93 -16.254 -3.010 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.901 -1.361 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.504 -1.144 2.405 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.292 -0.410 4.895 1.00 0.00 N ATOM 1485 CA ARG A 94 -14.805 0.407 5.992 1.00 0.00 C ATOM 1486 C ARG A 94 -15.405 -0.186 7.276 1.00 0.00 C ATOM 1487 O ARG A 94 -16.373 -0.943 7.192 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.201 1.873 5.761 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.624 2.178 6.221 1.00 0.00 C ATOM 1490 CD ARG A 94 -17.063 3.535 5.676 1.00 0.00 C ATOM 1491 NE ARG A 94 -16.280 4.631 6.247 1.00 0.00 N ATOM 1492 CZ ARG A 94 -16.370 5.905 5.863 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -17.204 6.271 4.893 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.616 6.828 6.454 1.00 0.00 N ATOM 0 H ARG A 94 -15.972 -1.105 5.202 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.718 0.401 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.505 2.521 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.108 2.107 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.303 1.399 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.672 2.180 7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.959 3.541 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.119 3.690 5.896 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.619 4.405 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.787 5.573 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.261 7.250 4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.972 6.560 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.682 7.803 6.163 1.00 0.00 H new ATOM 1508 N PRO A 95 -14.863 0.131 8.456 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.351 -0.361 9.735 1.00 0.00 C ATOM 1510 C PRO A 95 -16.793 0.093 9.983 1.00 0.00 C ATOM 1511 O PRO A 95 -17.162 1.209 9.619 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.398 0.230 10.774 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.852 1.472 10.074 1.00 0.00 C ATOM 1514 CD PRO A 95 -13.733 1.001 8.638 1.00 0.00 C ATOM 0 HA PRO A 95 -15.370 -1.450 9.775 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.916 0.483 11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.603 -0.468 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.526 2.323 10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.890 1.780 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.759 1.839 7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.794 0.474 8.468 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.619 -0.763 10.600 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.040 -0.517 10.782 1.00 0.00 C ATOM 1524 C PRO A 96 -19.373 0.372 11.980 1.00 0.00 C ATOM 1525 O PRO A 96 -20.451 0.968 11.994 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.630 -1.909 10.994 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.520 -2.631 11.754 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.249 -2.063 11.122 1.00 0.00 C ATOM 0 HA PRO A 96 -19.442 0.021 9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.556 -1.873 11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.859 -2.400 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.565 -2.428 12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.584 -3.712 11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.450 -1.976 11.859 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.882 -2.714 10.328 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.496 0.479 12.989 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.862 1.184 14.211 1.00 0.00 C ATOM 1538 C ASP A 97 -17.686 1.705 15.036 1.00 0.00 C ATOM 1539 O ASP A 97 -17.854 2.003 16.218 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.721 0.257 15.069 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.918 -0.849 15.761 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -17.898 -1.294 15.184 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.336 -1.242 16.873 1.00 0.00 O ATOM 0 H ASP A 97 -17.552 0.094 12.979 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.407 2.075 13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.237 0.849 15.825 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -20.488 -0.199 14.443 1.00 0.00 H new ATOM 1548 N SER A 98 -16.501 1.815 14.433 1.00 0.00 N ATOM 1549 CA SER A 98 -15.313 2.273 15.148 1.00 0.00 C ATOM 1550 C SER A 98 -15.449 3.699 15.675 1.00 0.00 C ATOM 1551 O SER A 98 -14.571 4.165 16.393 1.00 0.00 O ATOM 1552 CB SER A 98 -14.077 2.194 14.253 1.00 0.00 C ATOM 1553 OG SER A 98 -13.816 0.845 13.937 1.00 0.00 O ATOM 0 H SER A 98 -16.340 1.593 13.451 1.00 0.00 H new ATOM 0 HA SER A 98 -15.203 1.606 16.003 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.237 2.769 13.341 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.218 2.633 14.760 1.00 0.00 H new ATOM 0 HG SER A 98 -13.025 0.791 13.361 1.00 0.00 H new