USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 499 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 14 CYS SG : rot 144:sc= 0.404 USER MOD Set 1.2: A 23 CYS SG : rot -21:sc= 0.944 USER MOD Set 1.3: A 26 CYS SG : rot -179:sc= -3.12! USER MOD Set 2.1: A 9 MET CE :methyl -166:sc=-0.00875 (180deg=0) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.466 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0264 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.226 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.304 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.552 USER MOD Single : A 16 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.11) USER MOD Single : A 17 SER OG : rot -133:sc= 0.14 USER MOD Single : A 18 MET CE :methyl 152:sc= 0 (180deg=-0.765) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0482 (180deg=-0.367) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 31 TYR OH : rot -174:sc= 0.489 USER MOD Single : A 33 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-0.83) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 51:sc= -1.63! USER MOD Single : A 64 MET CE :methyl 136:sc= -0.0408 (180deg=-0.501) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.492 -10.717 -14.275 1.00100.00 N ATOM 2 CA GLY A 1 -11.672 -11.704 -13.549 1.00100.00 C ATOM 3 C GLY A 1 -10.626 -12.263 -14.453 1.00100.00 C ATOM 4 O GLY A 1 -10.848 -12.503 -15.642 1.00100.00 O ATOM 0 H1 GLY A 1 -13.494 -10.848 -14.027 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.193 -9.756 -14.011 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.368 -10.849 -15.299 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.203 -11.234 -12.684 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.305 -12.507 -13.171 1.00100.00 H new ATOM 10 N SER A 2 -9.432 -12.443 -13.847 1.00100.00 N ATOM 11 CA SER A 2 -8.290 -12.972 -14.536 1.00100.00 C ATOM 12 C SER A 2 -7.743 -14.114 -13.743 1.00100.00 C ATOM 13 O SER A 2 -7.910 -14.179 -12.518 1.00100.00 O ATOM 14 CB SER A 2 -7.165 -11.931 -14.761 1.00100.00 C ATOM 15 OG SER A 2 -6.688 -11.469 -13.515 1.00100.00 O ATOM 0 H SER A 2 -9.258 -12.218 -12.867 1.00100.00 H new ATOM 0 HA SER A 2 -8.628 -13.287 -15.523 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.350 -12.379 -15.330 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.542 -11.095 -15.350 1.00100.00 H new ATOM 0 HG SER A 2 -5.848 -10.981 -13.647 1.00100.00 H new ATOM 21 N THR A 3 -7.085 -15.060 -14.450 1.00100.00 N ATOM 22 CA THR A 3 -6.502 -16.209 -13.819 1.00100.00 C ATOM 23 C THR A 3 -5.150 -15.773 -13.333 1.00100.00 C ATOM 24 O THR A 3 -4.121 -15.930 -13.990 1.00100.00 O ATOM 25 CB THR A 3 -6.424 -17.416 -14.729 1.00100.00 C ATOM 26 OG1 THR A 3 -7.716 -17.731 -15.198 1.00100.00 O ATOM 27 CG2 THR A 3 -5.862 -18.617 -13.969 1.00100.00 C ATOM 0 H THR A 3 -6.958 -15.027 -15.461 1.00100.00 H new ATOM 0 HA THR A 3 -7.129 -16.547 -12.994 1.00100.00 H new ATOM 0 HB THR A 3 -5.767 -17.184 -15.567 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.668 -18.511 -15.789 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.811 -19.478 -14.635 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.862 -18.381 -13.604 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.511 -18.849 -13.125 1.00100.00 H new ATOM 35 N ALA A 4 -5.181 -15.147 -12.144 1.00100.00 N ATOM 36 CA ALA A 4 -4.026 -14.650 -11.470 1.00100.00 C ATOM 37 C ALA A 4 -3.910 -15.511 -10.262 1.00100.00 C ATOM 38 O ALA A 4 -4.915 -15.891 -9.650 1.00100.00 O ATOM 39 CB ALA A 4 -4.171 -13.190 -10.995 1.00100.00 C ATOM 0 H ALA A 4 -6.048 -14.981 -11.632 1.00100.00 H new ATOM 0 HA ALA A 4 -3.168 -14.670 -12.142 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.256 -12.879 -10.491 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.350 -12.544 -11.854 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.010 -13.114 -10.303 1.00100.00 H new ATOM 45 N MET A 5 -2.650 -15.846 -9.910 1.00100.00 N ATOM 46 CA MET A 5 -2.383 -16.677 -8.771 1.00100.00 C ATOM 47 C MET A 5 -2.848 -16.014 -7.507 1.00100.00 C ATOM 48 O MET A 5 -2.806 -14.785 -7.384 1.00100.00 O ATOM 49 CB MET A 5 -0.892 -17.075 -8.633 1.00100.00 C ATOM 50 CG MET A 5 -0.021 -15.909 -8.160 1.00100.00 C ATOM 51 SD MET A 5 0.017 -14.469 -9.259 1.00100.00 S ATOM 52 CE MET A 5 1.107 -13.400 -8.285 1.00100.00 C ATOM 0 H MET A 5 -1.817 -15.541 -10.414 1.00100.00 H new ATOM 0 HA MET A 5 -2.945 -17.596 -8.936 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.803 -17.902 -7.928 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.524 -17.434 -9.594 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.375 -15.588 -7.181 1.00100.00 H new ATOM 0 HG3 MET A 5 0.999 -16.270 -8.027 1.00100.00 H new ATOM 0 HE1 MET A 5 1.250 -12.454 -8.807 1.00100.00 H new ATOM 0 HE2 MET A 5 0.656 -13.212 -7.311 1.00100.00 H new ATOM 0 HE3 MET A 5 2.071 -13.890 -8.150 1.00100.00 H new ATOM 62 N ALA A 6 -3.640 -16.809 -6.751 1.00100.00 N ATOM 63 CA ALA A 6 -4.254 -16.456 -5.496 1.00100.00 C ATOM 64 C ALA A 6 -5.171 -15.256 -5.608 1.00100.00 C ATOM 65 O ALA A 6 -5.370 -14.518 -4.641 1.00100.00 O ATOM 66 CB ALA A 6 -3.218 -16.261 -4.361 1.00100.00 C ATOM 0 H ALA A 6 -3.866 -17.762 -7.036 1.00100.00 H new ATOM 0 HA ALA A 6 -4.875 -17.310 -5.227 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.735 -15.996 -3.438 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.662 -17.187 -4.213 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.527 -15.462 -4.632 1.00100.00 H new ATOM 72 N THR A 7 -5.763 -15.064 -6.820 1.00100.00 N ATOM 73 CA THR A 7 -6.677 -14.005 -7.179 1.00100.00 C ATOM 74 C THR A 7 -6.149 -12.624 -6.839 1.00100.00 C ATOM 75 O THR A 7 -6.867 -11.772 -6.309 1.00100.00 O ATOM 76 CB THR A 7 -8.099 -14.247 -6.703 1.00100.00 C ATOM 77 OG1 THR A 7 -8.140 -14.275 -5.293 1.00100.00 O ATOM 78 CG2 THR A 7 -8.621 -15.574 -7.253 1.00100.00 C ATOM 0 H THR A 7 -5.587 -15.696 -7.601 1.00100.00 H new ATOM 0 HA THR A 7 -6.739 -14.030 -8.267 1.00100.00 H new ATOM 0 HB THR A 7 -8.729 -13.435 -7.066 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.230 -14.198 -4.938 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.641 -15.736 -6.905 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.610 -15.546 -8.343 1.00100.00 H new ATOM 0 HG23 THR A 7 -7.985 -16.388 -6.904 1.00100.00 H new ATOM 86 N THR A 8 -4.845 -12.392 -7.138 1.00100.00 N ATOM 87 CA THR A 8 -4.178 -11.135 -6.879 1.00100.00 C ATOM 88 C THR A 8 -4.682 -10.130 -7.885 1.00100.00 C ATOM 89 O THR A 8 -4.868 -10.449 -9.062 1.00100.00 O ATOM 90 CB THR A 8 -2.668 -11.274 -6.934 1.00100.00 C ATOM 91 OG1 THR A 8 -2.262 -12.234 -5.983 1.00100.00 O ATOM 92 CG2 THR A 8 -1.980 -9.945 -6.628 1.00100.00 C ATOM 0 H THR A 8 -4.241 -13.092 -7.569 1.00100.00 H new ATOM 0 HA THR A 8 -4.407 -10.798 -5.868 1.00100.00 H new ATOM 0 HB THR A 8 -2.384 -11.585 -7.940 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.387 -13.133 -6.352 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.899 -10.076 -6.675 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.287 -9.199 -7.361 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.262 -9.611 -5.630 1.00100.00 H new ATOM 100 N MET A 9 -4.932 -8.884 -7.410 1.00100.00 N ATOM 101 CA MET A 9 -5.428 -7.833 -8.256 1.00100.00 C ATOM 102 C MET A 9 -4.258 -7.319 -9.049 1.00100.00 C ATOM 103 O MET A 9 -3.148 -7.168 -8.538 1.00100.00 O ATOM 104 CB MET A 9 -6.076 -6.669 -7.482 1.00100.00 C ATOM 105 CG MET A 9 -6.933 -5.849 -8.445 1.00100.00 C ATOM 106 SD MET A 9 -8.358 -6.771 -9.081 1.00100.00 S ATOM 107 CE MET A 9 -9.004 -5.558 -10.257 1.00100.00 C ATOM 0 H MET A 9 -4.789 -8.608 -6.438 1.00100.00 H new ATOM 0 HA MET A 9 -6.216 -8.243 -8.888 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.689 -7.054 -6.667 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.307 -6.040 -7.034 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.285 -4.952 -7.936 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.317 -5.520 -9.282 1.00100.00 H new ATOM 0 HE1 MET A 9 -10.011 -5.845 -10.559 1.00100.00 H new ATOM 0 HE2 MET A 9 -9.032 -4.575 -9.787 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.358 -5.522 -11.134 1.00100.00 H new ATOM 117 N GLU A 10 -4.474 -7.231 -10.375 1.00100.00 N ATOM 118 CA GLU A 10 -3.490 -6.813 -11.335 1.00100.00 C ATOM 119 C GLU A 10 -2.956 -5.421 -11.219 1.00100.00 C ATOM 120 O GLU A 10 -1.740 -5.251 -11.349 1.00100.00 O ATOM 121 CB GLU A 10 -3.969 -7.008 -12.781 1.00100.00 C ATOM 122 CG GLU A 10 -4.359 -8.467 -13.022 1.00100.00 C ATOM 123 CD GLU A 10 -4.788 -8.701 -14.466 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.312 -7.741 -15.072 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.588 -9.841 -14.936 1.00100.00 O ATOM 0 H GLU A 10 -5.373 -7.461 -10.799 1.00100.00 H new ATOM 0 HA GLU A 10 -2.663 -7.476 -11.082 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.823 -6.360 -12.978 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.180 -6.717 -13.474 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.515 -9.114 -12.783 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.172 -8.743 -12.351 1.00100.00 H new ATOM 132 N GLN A 11 -3.818 -4.408 -10.944 1.00100.00 N ATOM 133 CA GLN A 11 -3.321 -3.051 -10.878 1.00100.00 C ATOM 134 C GLN A 11 -2.478 -2.784 -9.669 1.00100.00 C ATOM 135 O GLN A 11 -2.564 -3.462 -8.640 1.00100.00 O ATOM 136 CB GLN A 11 -4.340 -1.882 -10.987 1.00100.00 C ATOM 137 CG GLN A 11 -5.404 -1.960 -9.893 1.00100.00 C ATOM 138 CD GLN A 11 -6.668 -2.652 -10.378 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.603 -3.662 -11.074 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.827 -2.102 -10.007 1.00100.00 N ATOM 0 H GLN A 11 -4.818 -4.518 -10.774 1.00100.00 H new ATOM 0 HA GLN A 11 -2.739 -3.041 -11.800 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.813 -0.931 -10.915 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.820 -1.907 -11.965 1.00100.00 H new ATOM 0 HG2 GLN A 11 -5.003 -2.498 -9.034 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.649 -0.954 -9.553 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.831 -1.262 -9.428 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.708 -2.522 -10.303 1.00100.00 H new ATOM 149 N GLU A 12 -1.631 -1.743 -9.810 1.00100.00 N ATOM 150 CA GLU A 12 -0.717 -1.319 -8.794 1.00100.00 C ATOM 151 C GLU A 12 -1.450 -0.451 -7.798 1.00100.00 C ATOM 152 O GLU A 12 -1.512 0.773 -7.902 1.00100.00 O ATOM 153 CB GLU A 12 0.512 -0.603 -9.400 1.00100.00 C ATOM 154 CG GLU A 12 1.208 -1.428 -10.480 1.00100.00 C ATOM 155 CD GLU A 12 2.536 -0.800 -10.880 1.00100.00 C ATOM 156 OE1 GLU A 12 2.632 0.445 -10.803 1.00100.00 O ATOM 157 OE2 GLU A 12 3.440 -1.578 -11.254 1.00100.00 O1- ATOM 0 H GLU A 12 -1.583 -1.180 -10.659 1.00100.00 H new ATOM 0 HA GLU A 12 -0.329 -2.193 -8.272 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.198 0.351 -9.824 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.224 -0.379 -8.606 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.377 -2.441 -10.115 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.562 -1.507 -11.354 1.00100.00 H new ATOM 164 N ILE A 13 -2.044 -1.142 -6.797 1.00100.00 N ATOM 165 CA ILE A 13 -2.831 -0.555 -5.740 1.00100.00 C ATOM 166 C ILE A 13 -2.142 0.000 -4.522 1.00100.00 C ATOM 167 O ILE A 13 -2.808 0.685 -3.741 1.00100.00 O ATOM 168 CB ILE A 13 -3.993 -1.436 -5.276 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.557 -2.800 -4.729 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.916 -1.695 -6.462 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.883 -2.698 -3.362 1.00100.00 C ATOM 0 H ILE A 13 -1.973 -2.157 -6.720 1.00100.00 H new ATOM 0 HA ILE A 13 -3.180 0.323 -6.283 1.00100.00 H new ATOM 0 HB ILE A 13 -4.483 -0.895 -4.467 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.427 -3.452 -4.653 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.870 -3.267 -5.435 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.749 -2.322 -6.145 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.299 -0.747 -6.839 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.361 -2.201 -7.251 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.595 -3.693 -3.023 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.995 -2.070 -3.440 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.577 -2.258 -2.646 1.00100.00 H new ATOM 183 N CYS A 14 -0.823 -0.251 -4.319 1.00100.00 N ATOM 184 CA CYS A 14 -0.116 0.255 -3.156 1.00100.00 C ATOM 185 C CYS A 14 -0.096 1.754 -3.204 1.00100.00 C ATOM 186 O CYS A 14 -0.060 2.367 -4.274 1.00100.00 O ATOM 187 CB CYS A 14 1.315 -0.288 -2.937 1.00100.00 C ATOM 188 SG CYS A 14 1.976 0.236 -1.334 1.00100.00 S ATOM 0 H CYS A 14 -0.245 -0.801 -4.955 1.00100.00 H new ATOM 0 HA CYS A 14 -0.677 -0.117 -2.298 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.306 -1.377 -2.991 1.00100.00 H new ATOM 0 HB3 CYS A 14 1.967 0.066 -3.736 1.00100.00 H new ATOM 0 HG CYS A 14 2.709 -0.715 -0.835 1.00100.00 H new ATOM 193 N ALA A 15 -0.130 2.359 -1.995 1.00100.00 N ATOM 194 CA ALA A 15 -0.185 3.781 -1.778 1.00100.00 C ATOM 195 C ALA A 15 0.982 4.512 -2.364 1.00100.00 C ATOM 196 O ALA A 15 0.791 5.571 -2.967 1.00100.00 O ATOM 197 CB ALA A 15 -0.236 4.128 -0.281 1.00100.00 C ATOM 0 H ALA A 15 -0.119 1.829 -1.124 1.00100.00 H new ATOM 0 HA ALA A 15 -1.099 4.100 -2.280 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.277 5.210 -0.160 1.00100.00 H new ATOM 0 HB2 ALA A 15 -1.123 3.679 0.167 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.655 3.741 0.213 1.00100.00 H new ATOM 203 N HIS A 16 2.202 3.949 -2.210 1.00100.00 N ATOM 204 CA HIS A 16 3.405 4.542 -2.729 1.00100.00 C ATOM 205 C HIS A 16 3.408 4.641 -4.231 1.00100.00 C ATOM 206 O HIS A 16 3.835 5.686 -4.727 1.00100.00 O ATOM 207 CB HIS A 16 4.672 3.816 -2.278 1.00100.00 C ATOM 208 CG HIS A 16 4.953 3.947 -0.810 1.00100.00 C ATOM 209 ND1 HIS A 16 4.242 3.361 0.211 1.00100.00 N ATOM 210 CD2 HIS A 16 5.983 4.657 -0.252 1.00100.00 C ATOM 211 CE1 HIS A 16 4.839 3.718 1.364 1.00100.00 C ATOM 212 NE2 HIS A 16 5.902 4.506 1.134 1.00100.00 N ATOM 0 H HIS A 16 2.355 3.069 -1.718 1.00100.00 H new ATOM 0 HA HIS A 16 3.412 5.548 -2.310 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.583 2.759 -2.529 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.522 4.206 -2.838 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.725 5.231 -0.788 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.507 3.411 2.345 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.525 4.913 1.832 1.00100.00 H new ATOM 219 N SER A 17 2.937 3.567 -4.952 1.00100.00 N ATOM 220 CA SER A 17 2.870 3.511 -6.408 1.00100.00 C ATOM 221 C SER A 17 2.682 2.114 -6.940 1.00100.00 C ATOM 222 O SER A 17 1.802 1.887 -7.766 1.00100.00 O ATOM 223 CB SER A 17 4.121 4.033 -7.176 1.00100.00 C ATOM 224 OG SER A 17 5.286 3.370 -6.734 1.00100.00 O ATOM 0 H SER A 17 2.595 2.717 -4.505 1.00100.00 H new ATOM 0 HA SER A 17 2.016 4.164 -6.587 1.00100.00 H new ATOM 0 HB2 SER A 17 3.990 3.875 -8.246 1.00100.00 H new ATOM 0 HB3 SER A 17 4.227 5.107 -7.023 1.00100.00 H new ATOM 0 HG SER A 17 5.991 4.028 -6.560 1.00100.00 H new ATOM 230 N MET A 18 3.491 1.149 -6.442 1.00100.00 N ATOM 231 CA MET A 18 3.494 -0.224 -6.899 1.00100.00 C ATOM 232 C MET A 18 2.415 -1.113 -6.345 1.00100.00 C ATOM 233 O MET A 18 1.354 -0.605 -6.001 1.00100.00 O ATOM 234 CB MET A 18 4.883 -0.866 -6.741 1.00100.00 C ATOM 235 CG MET A 18 5.990 -0.020 -7.359 1.00100.00 C ATOM 236 SD MET A 18 7.594 -0.858 -7.331 1.00100.00 S ATOM 237 CE MET A 18 8.588 0.399 -8.168 1.00100.00 C ATOM 0 H MET A 18 4.166 1.326 -5.698 1.00100.00 H new ATOM 0 HA MET A 18 3.247 -0.144 -7.958 1.00100.00 H new ATOM 0 HB2 MET A 18 5.092 -1.015 -5.682 1.00100.00 H new ATOM 0 HB3 MET A 18 4.880 -1.851 -7.207 1.00100.00 H new ATOM 0 HG2 MET A 18 5.727 0.222 -8.389 1.00100.00 H new ATOM 0 HG3 MET A 18 6.067 0.924 -6.820 1.00100.00 H new ATOM 0 HE1 MET A 18 9.622 0.330 -7.830 1.00100.00 H new ATOM 0 HE2 MET A 18 8.547 0.237 -9.245 1.00100.00 H new ATOM 0 HE3 MET A 18 8.195 1.389 -7.935 1.00100.00 H new ATOM 247 N THR A 19 2.440 -2.405 -6.769 1.00100.00 N ATOM 248 CA THR A 19 1.496 -3.439 -6.392 1.00100.00 C ATOM 249 C THR A 19 1.748 -3.847 -4.946 1.00100.00 C ATOM 250 O THR A 19 2.784 -3.520 -4.366 1.00100.00 O ATOM 251 CB THR A 19 1.628 -4.638 -7.346 1.00100.00 C ATOM 252 OG1 THR A 19 1.422 -4.204 -8.669 1.00100.00 O ATOM 253 CG2 THR A 19 0.601 -5.732 -7.052 1.00100.00 C ATOM 0 H THR A 19 3.157 -2.747 -7.409 1.00100.00 H new ATOM 0 HA THR A 19 0.477 -3.061 -6.470 1.00100.00 H new ATOM 0 HB THR A 19 2.627 -5.050 -7.205 1.00100.00 H new ATOM 0 HG1 THR A 19 1.507 -4.965 -9.280 1.00100.00 H new ATOM 0 HG21 THR A 19 0.736 -6.556 -7.753 1.00100.00 H new ATOM 0 HG22 THR A 19 0.738 -6.096 -6.034 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.405 -5.325 -7.160 1.00100.00 H new ATOM 261 N PHE A 20 0.775 -4.563 -4.328 1.00100.00 N ATOM 262 CA PHE A 20 0.803 -5.076 -2.979 1.00100.00 C ATOM 263 C PHE A 20 1.985 -6.022 -2.860 1.00100.00 C ATOM 264 O PHE A 20 2.714 -5.995 -1.870 1.00100.00 O ATOM 265 CB PHE A 20 -0.531 -5.829 -2.746 1.00100.00 C ATOM 266 CG PHE A 20 -0.623 -6.443 -1.370 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.043 -5.663 -0.283 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.269 -7.785 -1.176 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.113 -6.229 0.996 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.339 -8.350 0.103 1.00100.00 C ATOM 271 CZ PHE A 20 -0.762 -7.572 1.190 1.00100.00 C ATOM 0 H PHE A 20 -0.094 -4.800 -4.808 1.00100.00 H new ATOM 0 HA PHE A 20 0.910 -4.284 -2.237 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.362 -5.138 -2.887 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.637 -6.612 -3.496 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.312 -4.628 -0.432 1.00100.00 H new ATOM 0 HD2 PHE A 20 0.058 -8.384 -2.013 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.438 -5.630 1.834 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.067 -9.385 0.252 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.817 -8.008 2.177 1.00100.00 H new ATOM 281 N GLU A 21 2.188 -6.871 -3.888 1.00100.00 N ATOM 282 CA GLU A 21 3.267 -7.819 -4.000 1.00100.00 C ATOM 283 C GLU A 21 4.600 -7.097 -4.083 1.00100.00 C ATOM 284 O GLU A 21 5.584 -7.518 -3.480 1.00100.00 O ATOM 285 CB GLU A 21 3.036 -8.690 -5.248 1.00100.00 C ATOM 286 CG GLU A 21 4.065 -9.814 -5.337 1.00100.00 C ATOM 287 CD GLU A 21 3.750 -10.774 -6.482 1.00100.00 C ATOM 288 OE1 GLU A 21 2.777 -10.500 -7.217 1.00100.00 O ATOM 289 OE2 GLU A 21 4.492 -11.774 -6.598 1.00100.00 O1- ATOM 0 H GLU A 21 1.561 -6.899 -4.692 1.00100.00 H new ATOM 0 HA GLU A 21 3.291 -8.456 -3.116 1.00100.00 H new ATOM 0 HB2 GLU A 21 2.032 -9.114 -5.218 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.093 -8.070 -6.143 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.058 -9.388 -5.481 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.087 -10.364 -4.396 1.00100.00 H new ATOM 296 N GLU A 22 4.622 -5.959 -4.816 1.00100.00 N ATOM 297 CA GLU A 22 5.770 -5.116 -5.060 1.00100.00 C ATOM 298 C GLU A 22 5.908 -4.022 -4.025 1.00100.00 C ATOM 299 O GLU A 22 6.726 -3.111 -4.188 1.00100.00 O ATOM 300 CB GLU A 22 5.702 -4.472 -6.459 1.00100.00 C ATOM 301 CG GLU A 22 5.666 -5.528 -7.560 1.00100.00 C ATOM 302 CD GLU A 22 6.963 -6.325 -7.594 1.00100.00 C ATOM 303 OE1 GLU A 22 7.987 -5.720 -7.976 1.00100.00 O ATOM 304 OE2 GLU A 22 6.909 -7.522 -7.240 1.00100.00 O1- ATOM 0 H GLU A 22 3.781 -5.602 -5.270 1.00100.00 H new ATOM 0 HA GLU A 22 6.642 -5.767 -4.997 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.815 -3.843 -6.528 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.566 -3.823 -6.604 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.825 -6.202 -7.395 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.505 -5.047 -8.525 1.00100.00 H new ATOM 311 N CYS A 23 5.144 -4.113 -2.908 1.00100.00 N ATOM 312 CA CYS A 23 5.150 -3.150 -1.837 1.00100.00 C ATOM 313 C CYS A 23 6.511 -2.970 -1.200 1.00100.00 C ATOM 314 O CYS A 23 6.825 -1.813 -0.947 1.00100.00 O ATOM 315 CB CYS A 23 4.111 -3.439 -0.731 1.00100.00 C ATOM 316 SG CYS A 23 4.091 -2.072 0.455 1.00100.00 S ATOM 0 H CYS A 23 4.499 -4.886 -2.747 1.00100.00 H new ATOM 0 HA CYS A 23 4.869 -2.221 -2.333 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.122 -3.566 -1.171 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.356 -4.371 -0.222 1.00100.00 H new ATOM 0 HG CYS A 23 5.213 -1.419 0.383 1.00100.00 H new ATOM 322 N PRO A 24 7.374 -4.008 -0.916 1.00100.00 N ATOM 323 CA PRO A 24 8.682 -3.755 -0.349 1.00100.00 C ATOM 324 C PRO A 24 9.533 -2.868 -1.232 1.00100.00 C ATOM 325 O PRO A 24 10.310 -2.088 -0.682 1.00100.00 O ATOM 326 CB PRO A 24 9.290 -5.127 -0.034 1.00100.00 C ATOM 327 CG PRO A 24 8.571 -6.041 -1.027 1.00100.00 C ATOM 328 CD PRO A 24 7.178 -5.424 -1.153 1.00100.00 C ATOM 0 HA PRO A 24 8.616 -3.176 0.572 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.370 -5.136 -0.182 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.107 -5.425 0.998 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.084 -6.069 -1.988 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.522 -7.067 -0.662 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.754 -5.604 -2.141 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.488 -5.854 -0.427 1.00100.00 H new ATOM 336 N LYS A 25 9.394 -2.974 -2.579 1.00100.00 N ATOM 337 CA LYS A 25 10.116 -2.166 -3.535 1.00100.00 C ATOM 338 C LYS A 25 9.701 -0.722 -3.499 1.00100.00 C ATOM 339 O LYS A 25 10.484 0.143 -3.890 1.00100.00 O ATOM 340 CB LYS A 25 10.044 -2.653 -4.991 1.00100.00 C ATOM 341 CG LYS A 25 10.581 -4.080 -5.095 1.00100.00 C ATOM 342 CD LYS A 25 10.682 -4.501 -6.560 1.00100.00 C ATOM 343 CE LYS A 25 11.725 -3.667 -7.305 1.00100.00 C ATOM 344 NZ LYS A 25 13.064 -3.832 -6.716 1.00100.00 N1+ ATOM 0 H LYS A 25 8.760 -3.643 -3.016 1.00100.00 H new ATOM 0 HA LYS A 25 11.150 -2.273 -3.206 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.013 -2.617 -5.344 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.624 -1.990 -5.633 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.561 -4.143 -4.623 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.924 -4.764 -4.557 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.946 -5.557 -6.620 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.711 -4.388 -7.041 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.748 -3.963 -8.354 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.440 -2.615 -7.277 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.783 -3.501 -7.391 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.129 -3.275 -5.840 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.227 -4.836 -6.501 1.00100.00 H new ATOM 358 N CYS A 26 8.465 -0.437 -3.014 1.00100.00 N ATOM 359 CA CYS A 26 7.908 0.889 -2.891 1.00100.00 C ATOM 360 C CYS A 26 8.749 1.728 -1.965 1.00100.00 C ATOM 361 O CYS A 26 8.897 2.931 -2.190 1.00100.00 O ATOM 362 CB CYS A 26 6.469 0.878 -2.366 1.00100.00 C ATOM 363 SG CYS A 26 5.316 0.175 -3.562 1.00100.00 S ATOM 0 H CYS A 26 7.826 -1.165 -2.694 1.00100.00 H new ATOM 0 HA CYS A 26 7.902 1.313 -3.895 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.426 0.304 -1.440 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.164 1.896 -2.124 1.00100.00 H new ATOM 0 HG CYS A 26 4.111 0.207 -3.074 1.00100.00 H new ATOM 369 N SER A 27 9.308 1.099 -0.900 1.00100.00 N ATOM 370 CA SER A 27 10.156 1.730 0.085 1.00100.00 C ATOM 371 C SER A 27 11.391 2.290 -0.563 1.00100.00 C ATOM 372 O SER A 27 11.860 3.352 -0.149 1.00100.00 O ATOM 373 CB SER A 27 10.591 0.761 1.189 1.00100.00 C ATOM 374 OG SER A 27 9.454 0.246 1.843 1.00100.00 O ATOM 0 H SER A 27 9.162 0.106 -0.718 1.00100.00 H new ATOM 0 HA SER A 27 9.563 2.527 0.534 1.00100.00 H new ATOM 0 HB2 SER A 27 11.177 -0.053 0.762 1.00100.00 H new ATOM 0 HB3 SER A 27 11.233 1.274 1.905 1.00100.00 H new ATOM 0 HG SER A 27 9.735 -0.375 2.547 1.00100.00 H new ATOM 380 N ALA A 28 11.955 1.560 -1.562 1.00100.00 N ATOM 381 CA ALA A 28 13.113 1.993 -2.303 1.00100.00 C ATOM 382 C ALA A 28 12.688 3.188 -3.112 1.00100.00 C ATOM 383 O ALA A 28 11.593 3.217 -3.678 1.00100.00 O ATOM 384 CB ALA A 28 13.666 0.928 -3.261 1.00100.00 C ATOM 0 H ALA A 28 11.597 0.652 -1.858 1.00100.00 H new ATOM 0 HA ALA A 28 13.910 2.212 -1.592 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.536 1.325 -3.784 1.00100.00 H new ATOM 0 HB2 ALA A 28 13.956 0.044 -2.694 1.00100.00 H new ATOM 0 HB3 ALA A 28 12.899 0.658 -3.987 1.00100.00 H new ATOM 390 N LEU A 29 13.563 4.200 -3.176 1.00100.00 N ATOM 391 CA LEU A 29 13.303 5.426 -3.872 1.00100.00 C ATOM 392 C LEU A 29 13.817 5.466 -5.280 1.00100.00 C ATOM 393 O LEU A 29 13.805 6.534 -5.900 1.00100.00 O ATOM 394 CB LEU A 29 13.877 6.639 -3.116 1.00100.00 C ATOM 395 CG LEU A 29 12.826 7.269 -2.197 1.00100.00 C ATOM 396 CD1 LEU A 29 12.438 6.332 -1.057 1.00100.00 C ATOM 397 CD2 LEU A 29 13.367 8.580 -1.629 1.00100.00 C ATOM 0 H LEU A 29 14.481 4.170 -2.732 1.00100.00 H new ATOM 0 HA LEU A 29 12.215 5.476 -3.917 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.739 6.328 -2.526 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.231 7.382 -3.831 1.00100.00 H new ATOM 0 HG LEU A 29 11.930 7.460 -2.788 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.691 6.815 -0.427 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.026 5.410 -1.468 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.320 6.100 -0.460 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.620 9.029 -0.975 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.276 8.383 -1.060 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.592 9.265 -2.446 1.00100.00 H new ATOM 409 N GLN A 30 14.133 4.283 -5.860 1.00100.00 N ATOM 410 CA GLN A 30 14.664 4.129 -7.193 1.00100.00 C ATOM 411 C GLN A 30 13.719 4.682 -8.224 1.00100.00 C ATOM 412 O GLN A 30 14.152 5.410 -9.117 1.00100.00 O ATOM 413 CB GLN A 30 14.864 2.644 -7.554 1.00100.00 C ATOM 414 CG GLN A 30 15.881 2.004 -6.613 1.00100.00 C ATOM 415 CD GLN A 30 16.093 0.534 -6.952 1.00100.00 C ATOM 416 OE1 GLN A 30 15.145 -0.171 -7.294 1.00100.00 O ATOM 417 NE2 GLN A 30 17.341 0.072 -6.857 1.00100.00 N ATOM 0 H GLN A 30 14.013 3.392 -5.378 1.00100.00 H new ATOM 0 HA GLN A 30 15.613 4.665 -7.197 1.00100.00 H new ATOM 0 HB2 GLN A 30 13.913 2.115 -7.487 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.206 2.556 -8.585 1.00100.00 H new ATOM 0 HG2 GLN A 30 16.830 2.537 -6.681 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.537 2.097 -5.583 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.095 0.696 -6.569 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.541 -0.905 -7.072 1.00100.00 H new ATOM 426 N TYR A 31 12.409 4.369 -8.092 1.00100.00 N ATOM 427 CA TYR A 31 11.384 4.828 -8.993 1.00100.00 C ATOM 428 C TYR A 31 11.226 6.322 -8.983 1.00100.00 C ATOM 429 O TYR A 31 11.053 6.918 -10.043 1.00100.00 O ATOM 430 CB TYR A 31 10.029 4.069 -8.817 1.00100.00 C ATOM 431 CG TYR A 31 9.373 4.303 -7.486 1.00100.00 C ATOM 432 CD1 TYR A 31 8.500 5.385 -7.311 1.00100.00 C ATOM 433 CD2 TYR A 31 9.646 3.432 -6.425 1.00100.00 C ATOM 434 CE1 TYR A 31 7.905 5.600 -6.064 1.00100.00 C ATOM 435 CE2 TYR A 31 9.040 3.635 -5.183 1.00100.00 C ATOM 436 CZ TYR A 31 8.169 4.727 -4.993 1.00100.00 C ATOM 437 OH TYR A 31 7.595 4.949 -3.777 1.00100.00 O ATOM 0 H TYR A 31 12.053 3.781 -7.338 1.00100.00 H new ATOM 0 HA TYR A 31 11.733 4.573 -9.993 1.00100.00 H new ATOM 0 HB2 TYR A 31 9.345 4.377 -9.608 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.202 3.000 -8.944 1.00100.00 H new ATOM 0 HD1 TYR A 31 8.288 6.050 -8.135 1.00100.00 H new ATOM 0 HD2 TYR A 31 10.325 2.604 -6.566 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.240 6.439 -5.923 1.00100.00 H new ATOM 0 HE2 TYR A 31 9.239 2.955 -4.368 1.00100.00 H new ATOM 0 HH TYR A 31 7.956 4.314 -3.124 1.00100.00 H new ATOM 447 N ARG A 32 11.296 6.944 -7.781 1.00100.00 N ATOM 448 CA ARG A 32 11.162 8.371 -7.598 1.00100.00 C ATOM 449 C ARG A 32 12.289 9.113 -8.254 1.00100.00 C ATOM 450 O ARG A 32 12.071 10.160 -8.862 1.00100.00 O ATOM 451 CB ARG A 32 11.155 8.817 -6.127 1.00100.00 C ATOM 452 CG ARG A 32 9.952 8.203 -5.415 1.00100.00 C ATOM 453 CD ARG A 32 9.772 8.840 -4.040 1.00100.00 C ATOM 454 NE ARG A 32 8.787 8.092 -3.256 1.00100.00 N ATOM 455 CZ ARG A 32 8.545 8.316 -1.958 1.00100.00 C ATOM 456 NH1 ARG A 32 9.196 9.287 -1.303 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.646 7.563 -1.311 1.00100.00 N ATOM 0 H ARG A 32 11.451 6.439 -6.908 1.00100.00 H new ATOM 0 HA ARG A 32 10.198 8.604 -8.050 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.078 8.507 -5.637 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.111 9.904 -6.066 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.052 8.350 -6.013 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.092 7.127 -5.310 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.726 8.860 -3.514 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.448 9.875 -4.151 1.00100.00 H new ATOM 0 HE ARG A 32 8.255 7.359 -3.725 1.00100.00 H new ATOM 0 HH11 ARG A 32 9.881 9.862 -1.793 1.00100.00 H new ATOM 0 HH12 ARG A 32 9.006 9.451 -0.314 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.149 6.823 -1.807 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.458 7.730 -0.322 1.00100.00 H new ATOM 471 N ASN A 33 13.520 8.563 -8.141 1.00100.00 N ATOM 472 CA ASN A 33 14.718 9.142 -8.697 1.00100.00 C ATOM 473 C ASN A 33 14.682 9.096 -10.195 1.00100.00 C ATOM 474 O ASN A 33 14.061 8.217 -10.798 1.00100.00 O ATOM 475 CB ASN A 33 15.997 8.419 -8.222 1.00100.00 C ATOM 476 CG ASN A 33 16.175 8.568 -6.716 1.00100.00 C ATOM 477 OD1 ASN A 33 15.850 9.609 -6.147 1.00100.00 O ATOM 478 ND2 ASN A 33 16.693 7.523 -6.066 1.00100.00 N ATOM 0 H ASN A 33 13.688 7.687 -7.647 1.00100.00 H new ATOM 0 HA ASN A 33 14.748 10.174 -8.346 1.00100.00 H new ATOM 0 HB2 ASN A 33 15.941 7.362 -8.483 1.00100.00 H new ATOM 0 HB3 ASN A 33 16.865 8.830 -8.738 1.00100.00 H new ATOM 0 HD21 ASN A 33 16.833 7.569 -5.057 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.948 6.679 -6.579 1.00100.00 H new ATOM 485 N GLY A 34 15.370 10.078 -10.822 1.00100.00 N ATOM 486 CA GLY A 34 15.424 10.189 -12.253 1.00100.00 C ATOM 487 C GLY A 34 14.363 11.103 -12.795 1.00100.00 C ATOM 488 O GLY A 34 14.301 11.291 -14.009 1.00100.00 O ATOM 0 H GLY A 34 15.894 10.802 -10.330 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.405 10.559 -12.550 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.309 9.200 -12.696 1.00100.00 H new ATOM 492 N PHE A 35 13.493 11.665 -11.916 1.00100.00 N ATOM 493 CA PHE A 35 12.454 12.581 -12.304 1.00100.00 C ATOM 494 C PHE A 35 12.922 13.991 -12.132 1.00100.00 C ATOM 495 O PHE A 35 13.639 14.319 -11.188 1.00100.00 O ATOM 496 CB PHE A 35 11.084 12.345 -11.631 1.00100.00 C ATOM 497 CG PHE A 35 10.393 11.156 -12.254 1.00100.00 C ATOM 498 CD1 PHE A 35 10.736 9.852 -11.869 1.00100.00 C ATOM 499 CD2 PHE A 35 9.470 11.360 -13.288 1.00100.00 C ATOM 500 CE1 PHE A 35 10.144 8.756 -12.510 1.00100.00 C ATOM 501 CE2 PHE A 35 8.881 10.264 -13.931 1.00100.00 C ATOM 502 CZ PHE A 35 9.218 8.961 -13.541 1.00100.00 C ATOM 0 H PHE A 35 13.516 11.476 -10.914 1.00100.00 H new ATOM 0 HA PHE A 35 12.263 12.384 -13.359 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.220 12.177 -10.563 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.461 13.233 -11.737 1.00100.00 H new ATOM 0 HD1 PHE A 35 11.456 9.693 -11.079 1.00100.00 H new ATOM 0 HD2 PHE A 35 9.212 12.364 -13.590 1.00100.00 H new ATOM 0 HE1 PHE A 35 10.402 7.751 -12.209 1.00100.00 H new ATOM 0 HE2 PHE A 35 8.168 10.423 -14.726 1.00100.00 H new ATOM 0 HZ PHE A 35 8.764 8.115 -14.035 1.00100.00 H new ATOM 512 N TYR A 36 12.503 14.846 -13.094 1.00100.00 N ATOM 513 CA TYR A 36 12.868 16.232 -13.186 1.00100.00 C ATOM 514 C TYR A 36 12.465 17.050 -11.987 1.00100.00 C ATOM 515 O TYR A 36 13.316 17.768 -11.456 1.00100.00 O ATOM 516 CB TYR A 36 12.286 16.786 -14.520 1.00100.00 C ATOM 517 CG TYR A 36 12.492 18.271 -14.711 1.00100.00 C ATOM 518 CD1 TYR A 36 13.787 18.809 -14.693 1.00100.00 C ATOM 519 CD2 TYR A 36 11.385 19.109 -14.907 1.00100.00 C ATOM 520 CE1 TYR A 36 13.978 20.186 -14.872 1.00100.00 C ATOM 521 CE2 TYR A 36 11.566 20.486 -15.087 1.00100.00 C ATOM 522 CZ TYR A 36 12.866 21.031 -15.073 1.00100.00 C ATOM 523 OH TYR A 36 13.048 22.371 -15.248 1.00100.00 O ATOM 0 H TYR A 36 11.878 14.553 -13.845 1.00100.00 H new ATOM 0 HA TYR A 36 13.955 16.312 -13.190 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.747 16.256 -15.353 1.00100.00 H new ATOM 0 HB3 TYR A 36 11.218 16.570 -14.556 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.638 18.162 -14.541 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.389 18.691 -14.919 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.975 20.600 -14.856 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.711 21.129 -15.236 1.00100.00 H new ATOM 0 HH TYR A 36 12.179 22.805 -15.374 1.00100.00 H new ATOM 533 N LEU A 37 11.203 16.941 -11.509 1.00100.00 N ATOM 534 CA LEU A 37 10.782 17.694 -10.351 1.00100.00 C ATOM 535 C LEU A 37 10.128 16.815 -9.342 1.00100.00 C ATOM 536 O LEU A 37 9.156 16.121 -9.642 1.00100.00 O ATOM 537 CB LEU A 37 9.793 18.847 -10.642 1.00100.00 C ATOM 538 CG LEU A 37 10.411 19.932 -11.526 1.00100.00 C ATOM 539 CD1 LEU A 37 9.328 20.934 -11.923 1.00100.00 C ATOM 540 CD2 LEU A 37 11.520 20.676 -10.781 1.00100.00 C ATOM 0 H LEU A 37 10.483 16.343 -11.915 1.00100.00 H new ATOM 0 HA LEU A 37 11.712 18.127 -9.982 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.904 18.446 -11.130 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.467 19.290 -9.701 1.00100.00 H new ATOM 0 HG LEU A 37 10.836 19.457 -12.410 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.763 21.710 -12.553 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.540 20.419 -12.473 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.907 21.389 -11.026 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.944 21.442 -11.430 1.00100.00 H new ATOM 0 HD22 LEU A 37 11.107 21.145 -9.888 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.301 19.972 -10.493 1.00100.00 H new ATOM 552 N LEU A 38 10.672 16.846 -8.106 1.00100.00 N ATOM 553 CA LEU A 38 10.179 16.100 -6.975 1.00100.00 C ATOM 554 C LEU A 38 8.836 16.619 -6.550 1.00100.00 C ATOM 555 O LEU A 38 7.938 15.849 -6.214 1.00100.00 O ATOM 556 CB LEU A 38 11.135 16.143 -5.771 1.00100.00 C ATOM 557 CG LEU A 38 12.468 15.440 -6.044 1.00100.00 C ATOM 558 CD1 LEU A 38 13.360 15.597 -4.813 1.00100.00 C ATOM 559 CD2 LEU A 38 12.259 13.949 -6.314 1.00100.00 C ATOM 0 H LEU A 38 11.489 17.414 -7.883 1.00100.00 H new ATOM 0 HA LEU A 38 10.099 15.063 -7.302 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.326 17.182 -5.502 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.652 15.675 -4.913 1.00100.00 H new ATOM 0 HG LEU A 38 12.929 15.890 -6.923 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.315 15.102 -4.990 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.531 16.656 -4.620 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.871 15.145 -3.950 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.222 13.475 -6.505 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.791 13.484 -5.446 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.614 13.824 -7.184 1.00100.00 H new ATOM 571 N LYS A 39 8.683 17.961 -6.600 1.00100.00 N ATOM 572 CA LYS A 39 7.495 18.692 -6.236 1.00100.00 C ATOM 573 C LYS A 39 6.303 18.361 -7.099 1.00100.00 C ATOM 574 O LYS A 39 5.169 18.543 -6.653 1.00100.00 O ATOM 575 CB LYS A 39 7.689 20.218 -6.360 1.00100.00 C ATOM 576 CG LYS A 39 8.762 20.760 -5.419 1.00100.00 C ATOM 577 CD LYS A 39 8.842 22.273 -5.628 1.00100.00 C ATOM 578 CE LYS A 39 9.882 22.887 -4.697 1.00100.00 C ATOM 579 NZ LYS A 39 9.960 24.344 -4.894 1.00100.00 N1+ ATOM 0 H LYS A 39 9.435 18.575 -6.914 1.00100.00 H new ATOM 0 HA LYS A 39 7.313 18.393 -5.204 1.00100.00 H new ATOM 0 HB2 LYS A 39 7.957 20.462 -7.388 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.743 20.717 -6.150 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.514 20.530 -4.383 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.725 20.294 -5.628 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.100 22.490 -6.665 1.00100.00 H new ATOM 0 HD3 LYS A 39 7.867 22.724 -5.442 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.624 22.668 -3.661 1.00100.00 H new ATOM 0 HE3 LYS A 39 10.857 22.437 -4.885 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.673 24.744 -4.251 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.228 24.547 -5.878 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.034 24.772 -4.692 1.00100.00 H new ATOM 593 N TYR A 40 6.534 17.876 -8.349 1.00100.00 N ATOM 594 CA TYR A 40 5.491 17.548 -9.290 1.00100.00 C ATOM 595 C TYR A 40 4.608 16.458 -8.740 1.00100.00 C ATOM 596 O TYR A 40 5.082 15.459 -8.194 1.00100.00 O ATOM 597 CB TYR A 40 6.089 17.211 -10.679 1.00100.00 C ATOM 598 CG TYR A 40 5.041 16.964 -11.737 1.00100.00 C ATOM 599 CD1 TYR A 40 4.218 18.019 -12.157 1.00100.00 C ATOM 600 CD2 TYR A 40 4.895 15.689 -12.303 1.00100.00 C ATOM 601 CE1 TYR A 40 3.247 17.805 -13.142 1.00100.00 C ATOM 602 CE2 TYR A 40 3.934 15.470 -13.299 1.00100.00 C ATOM 603 CZ TYR A 40 3.106 16.528 -13.723 1.00100.00 C ATOM 604 OH TYR A 40 2.174 16.322 -14.697 1.00100.00 O ATOM 0 H TYR A 40 7.473 17.709 -8.712 1.00100.00 H new ATOM 0 HA TYR A 40 4.853 18.419 -9.438 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.732 18.031 -10.999 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.721 16.327 -10.590 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.334 18.999 -11.719 1.00100.00 H new ATOM 0 HD2 TYR A 40 5.523 14.876 -11.971 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.607 18.616 -13.456 1.00100.00 H new ATOM 0 HE2 TYR A 40 3.828 14.490 -13.741 1.00100.00 H new ATOM 0 HH TYR A 40 2.209 15.388 -14.990 1.00100.00 H new ATOM 614 N ASP A 41 3.279 16.674 -8.888 1.00100.00 N ATOM 615 CA ASP A 41 2.287 15.772 -8.377 1.00100.00 C ATOM 616 C ASP A 41 2.115 14.565 -9.251 1.00100.00 C ATOM 617 O ASP A 41 1.820 14.635 -10.446 1.00100.00 O ATOM 618 CB ASP A 41 0.931 16.486 -8.133 1.00100.00 C ATOM 619 CG ASP A 41 -0.056 15.565 -7.427 1.00100.00 C ATOM 620 OD1 ASP A 41 -0.518 14.609 -8.087 1.00100.00 O1- ATOM 621 OD2 ASP A 41 -0.329 15.833 -6.236 1.00100.00 O ATOM 0 H ASP A 41 2.892 17.486 -9.369 1.00100.00 H new ATOM 0 HA ASP A 41 2.654 15.421 -7.412 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.091 17.381 -7.532 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.512 16.812 -9.085 1.00100.00 H new ATOM 626 N GLU A 42 2.306 13.418 -8.578 1.00100.00 N ATOM 627 CA GLU A 42 2.233 12.062 -9.049 1.00100.00 C ATOM 628 C GLU A 42 1.712 11.230 -7.910 1.00100.00 C ATOM 629 O GLU A 42 1.457 11.737 -6.813 1.00100.00 O ATOM 630 CB GLU A 42 3.603 11.475 -9.481 1.00100.00 C ATOM 631 CG GLU A 42 4.102 12.138 -10.763 1.00100.00 C ATOM 632 CD GLU A 42 3.188 11.801 -11.935 1.00100.00 C ATOM 633 OE1 GLU A 42 3.113 10.598 -12.267 1.00100.00 O ATOM 634 OE2 GLU A 42 2.577 12.748 -12.474 1.00100.00 O1- ATOM 0 H GLU A 42 2.539 13.443 -7.585 1.00100.00 H new ATOM 0 HA GLU A 42 1.592 12.049 -9.930 1.00100.00 H new ATOM 0 HB2 GLU A 42 4.333 11.620 -8.684 1.00100.00 H new ATOM 0 HB3 GLU A 42 3.510 10.400 -9.636 1.00100.00 H new ATOM 0 HG2 GLU A 42 4.144 13.219 -10.627 1.00100.00 H new ATOM 0 HG3 GLU A 42 5.117 11.805 -10.979 1.00100.00 H new ATOM 641 N GLU A 43 1.501 9.916 -8.175 1.00100.00 N ATOM 642 CA GLU A 43 1.016 8.968 -7.200 1.00100.00 C ATOM 643 C GLU A 43 1.979 8.857 -6.046 1.00100.00 C ATOM 644 O GLU A 43 1.549 8.804 -4.892 1.00100.00 O ATOM 645 CB GLU A 43 0.801 7.567 -7.795 1.00100.00 C ATOM 646 CG GLU A 43 -0.207 7.602 -8.942 1.00100.00 C ATOM 647 CD GLU A 43 -0.483 6.199 -9.469 1.00100.00 C ATOM 648 OE1 GLU A 43 0.486 5.411 -9.536 1.00100.00 O ATOM 649 OE2 GLU A 43 -1.661 5.939 -9.796 1.00100.00 O1- ATOM 0 H GLU A 43 1.672 9.502 -9.091 1.00100.00 H new ATOM 0 HA GLU A 43 0.053 9.347 -6.858 1.00100.00 H new ATOM 0 HB2 GLU A 43 1.751 7.172 -8.155 1.00100.00 H new ATOM 0 HB3 GLU A 43 0.448 6.889 -7.018 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.137 8.055 -8.600 1.00100.00 H new ATOM 0 HG3 GLU A 43 0.175 8.228 -9.748 1.00100.00 H new ATOM 656 N TRP A 44 3.303 8.849 -6.343 1.00100.00 N ATOM 657 CA TRP A 44 4.318 8.771 -5.325 1.00100.00 C ATOM 658 C TRP A 44 4.397 10.021 -4.508 1.00100.00 C ATOM 659 O TRP A 44 3.988 11.100 -4.944 1.00100.00 O ATOM 660 CB TRP A 44 5.737 8.423 -5.816 1.00100.00 C ATOM 661 CG TRP A 44 6.353 9.329 -6.823 1.00100.00 C ATOM 662 CD1 TRP A 44 7.013 10.480 -6.568 1.00100.00 C ATOM 663 CD2 TRP A 44 6.421 9.136 -8.263 1.00100.00 C ATOM 664 NE1 TRP A 44 7.478 11.012 -7.752 1.00100.00 N ATOM 665 CE2 TRP A 44 7.141 10.220 -8.832 1.00100.00 C ATOM 666 CE3 TRP A 44 5.945 8.145 -9.140 1.00100.00 C ATOM 667 CZ2 TRP A 44 7.371 10.321 -10.208 1.00100.00 C ATOM 668 CZ3 TRP A 44 6.165 8.239 -10.521 1.00100.00 C ATOM 669 CH2 TRP A 44 6.872 9.324 -11.055 1.00100.00 C ATOM 0 H TRP A 44 3.669 8.897 -7.294 1.00100.00 H new ATOM 0 HA TRP A 44 3.979 7.931 -4.719 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.395 8.387 -4.948 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.711 7.418 -6.238 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.154 10.915 -5.590 1.00100.00 H new ATOM 0 HE1 TRP A 44 8.005 11.882 -7.822 1.00100.00 H new ATOM 0 HE3 TRP A 44 5.402 7.300 -8.744 1.00100.00 H new ATOM 0 HZ2 TRP A 44 7.925 11.156 -10.611 1.00100.00 H new ATOM 0 HZ3 TRP A 44 5.787 7.470 -11.178 1.00100.00 H new ATOM 0 HH2 TRP A 44 7.032 9.392 -12.121 1.00100.00 H new ATOM 680 N TYR A 45 4.937 9.860 -3.282 1.00100.00 N ATOM 681 CA TYR A 45 5.072 10.934 -2.334 1.00100.00 C ATOM 682 C TYR A 45 6.207 11.844 -2.737 1.00100.00 C ATOM 683 O TYR A 45 7.336 11.370 -2.911 1.00100.00 O ATOM 684 CB TYR A 45 5.406 10.431 -0.908 1.00100.00 C ATOM 685 CG TYR A 45 4.320 9.556 -0.331 1.00100.00 C ATOM 686 CD1 TYR A 45 4.298 8.183 -0.617 1.00100.00 C ATOM 687 CD2 TYR A 45 3.322 10.121 0.475 1.00100.00 C ATOM 688 CE1 TYR A 45 3.283 7.371 -0.093 1.00100.00 C ATOM 689 CE2 TYR A 45 2.303 9.316 1.002 1.00100.00 C ATOM 690 CZ TYR A 45 2.281 7.935 0.721 1.00100.00 C ATOM 691 OH TYR A 45 1.291 7.148 1.233 1.00100.00 O ATOM 0 H TYR A 45 5.288 8.965 -2.940 1.00100.00 H new ATOM 0 HA TYR A 45 4.111 11.449 -2.329 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.342 9.873 -0.934 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.564 11.287 -0.252 1.00100.00 H new ATOM 0 HD1 TYR A 45 5.065 7.751 -1.242 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.338 11.179 0.690 1.00100.00 H new ATOM 0 HE1 TYR A 45 3.269 6.314 -0.313 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.535 9.753 1.623 1.00100.00 H new ATOM 0 HH TYR A 45 0.684 7.696 1.773 1.00100.00 H new ATOM 701 N PRO A 46 5.929 13.177 -2.895 1.00100.00 N ATOM 702 CA PRO A 46 6.908 14.185 -3.260 1.00100.00 C ATOM 703 C PRO A 46 8.027 14.294 -2.264 1.00100.00 C ATOM 704 O PRO A 46 9.155 14.572 -2.674 1.00100.00 O ATOM 705 CB PRO A 46 6.135 15.497 -3.390 1.00100.00 C ATOM 706 CG PRO A 46 4.715 15.038 -3.702 1.00100.00 C ATOM 707 CD PRO A 46 4.597 13.750 -2.894 1.00100.00 C ATOM 0 HA PRO A 46 7.399 13.918 -4.196 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.176 16.081 -2.471 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.539 16.125 -4.185 1.00100.00 H new ATOM 0 HG2 PRO A 46 3.974 15.777 -3.397 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.571 14.863 -4.768 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.256 13.952 -1.879 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.875 13.068 -3.343 1.00100.00 H new ATOM 715 N GLU A 47 7.716 14.097 -0.960 1.00100.00 N ATOM 716 CA GLU A 47 8.691 14.160 0.097 1.00100.00 C ATOM 717 C GLU A 47 9.454 12.875 0.032 1.00100.00 C ATOM 718 O GLU A 47 8.856 11.796 0.029 1.00100.00 O ATOM 719 CB GLU A 47 8.059 14.248 1.501 1.00100.00 C ATOM 720 CG GLU A 47 9.159 14.385 2.556 1.00100.00 C ATOM 721 CD GLU A 47 8.591 14.501 3.967 1.00100.00 C ATOM 722 OE1 GLU A 47 7.357 14.356 4.107 1.00100.00 O ATOM 723 OE2 GLU A 47 9.408 14.733 4.884 1.00100.00 O1- ATOM 0 H GLU A 47 6.771 13.891 -0.636 1.00100.00 H new ATOM 0 HA GLU A 47 9.300 15.053 -0.043 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.384 15.102 1.553 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.462 13.357 1.698 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.821 13.521 2.502 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.764 15.265 2.336 1.00100.00 H new ATOM 730 N GLU A 48 10.799 12.990 -0.005 1.00100.00 N ATOM 731 CA GLU A 48 11.644 11.837 -0.091 1.00100.00 C ATOM 732 C GLU A 48 12.187 11.499 1.262 1.00100.00 C ATOM 733 O GLU A 48 12.699 12.351 1.989 1.00100.00 O ATOM 734 CB GLU A 48 12.826 12.001 -1.054 1.00100.00 C ATOM 735 CG GLU A 48 12.397 11.977 -2.517 1.00100.00 C ATOM 736 CD GLU A 48 13.623 12.092 -3.416 1.00100.00 C ATOM 737 OE1 GLU A 48 14.444 12.996 -3.148 1.00100.00 O ATOM 738 OE2 GLU A 48 13.722 11.263 -4.347 1.00100.00 O1- ATOM 0 H GLU A 48 11.298 13.879 0.025 1.00100.00 H new ATOM 0 HA GLU A 48 11.012 11.039 -0.482 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.334 12.942 -0.843 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.547 11.203 -0.877 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.861 11.053 -2.733 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.709 12.798 -2.717 1.00100.00 H new ATOM 745 N LEU A 49 12.030 10.207 1.622 1.00100.00 N ATOM 746 CA LEU A 49 12.445 9.640 2.877 1.00100.00 C ATOM 747 C LEU A 49 13.932 9.705 3.084 1.00100.00 C ATOM 748 O LEU A 49 14.386 10.108 4.156 1.00100.00 O ATOM 749 CB LEU A 49 12.026 8.159 2.962 1.00100.00 C ATOM 750 CG LEU A 49 10.523 7.981 2.724 1.00100.00 C ATOM 751 CD1 LEU A 49 10.185 6.491 2.765 1.00100.00 C ATOM 752 CD2 LEU A 49 9.707 8.713 3.789 1.00100.00 C ATOM 0 H LEU A 49 11.591 9.522 1.006 1.00100.00 H new ATOM 0 HA LEU A 49 11.957 10.235 3.649 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.582 7.580 2.224 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.289 7.762 3.943 1.00100.00 H new ATOM 0 HG LEU A 49 10.273 8.402 1.750 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.117 6.355 2.596 1.00100.00 H new ATOM 0 HD12 LEU A 49 10.744 5.970 1.988 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.453 6.084 3.740 1.00100.00 H new ATOM 0 HD21 LEU A 49 8.644 8.570 3.595 1.00100.00 H new ATOM 0 HD22 LEU A 49 9.953 8.315 4.773 1.00100.00 H new ATOM 0 HD23 LEU A 49 9.941 9.777 3.759 1.00100.00 H new ATOM 764 N LEU A 50 14.713 9.330 2.042 1.00100.00 N ATOM 765 CA LEU A 50 16.154 9.318 2.079 1.00100.00 C ATOM 766 C LEU A 50 16.752 10.679 2.250 1.00100.00 C ATOM 767 O LEU A 50 17.680 10.853 3.045 1.00100.00 O ATOM 768 CB LEU A 50 16.774 8.689 0.813 1.00100.00 C ATOM 769 CG LEU A 50 16.326 7.237 0.624 1.00100.00 C ATOM 770 CD1 LEU A 50 16.908 6.709 -0.686 1.00100.00 C ATOM 771 CD2 LEU A 50 16.808 6.355 1.775 1.00100.00 C ATOM 0 H LEU A 50 14.330 9.026 1.147 1.00100.00 H new ATOM 0 HA LEU A 50 16.391 8.709 2.952 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.489 9.274 -0.061 1.00100.00 H new ATOM 0 HB3 LEU A 50 17.861 8.728 0.882 1.00100.00 H new ATOM 0 HG LEU A 50 15.237 7.209 0.603 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.596 5.675 -0.832 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.548 7.317 -1.516 1.00100.00 H new ATOM 0 HD13 LEU A 50 17.996 6.757 -0.646 1.00100.00 H new ATOM 0 HD21 LEU A 50 16.474 5.330 1.612 1.00100.00 H new ATOM 0 HD22 LEU A 50 17.897 6.379 1.821 1.00100.00 H new ATOM 0 HD23 LEU A 50 16.397 6.726 2.714 1.00100.00 H new ATOM 783 N THR A 51 16.206 11.679 1.526 1.00100.00 N ATOM 784 CA THR A 51 16.703 13.025 1.580 1.00100.00 C ATOM 785 C THR A 51 16.057 13.771 2.712 1.00100.00 C ATOM 786 O THR A 51 15.062 14.484 2.541 1.00100.00 O ATOM 787 CB THR A 51 16.540 13.744 0.262 1.00100.00 C ATOM 788 OG1 THR A 51 15.227 13.602 -0.199 1.00100.00 O ATOM 789 CG2 THR A 51 17.500 13.186 -0.787 1.00100.00 C ATOM 0 H THR A 51 15.413 11.553 0.897 1.00100.00 H new ATOM 0 HA THR A 51 17.775 12.982 1.770 1.00100.00 H new ATOM 0 HB THR A 51 16.766 14.798 0.422 1.00100.00 H new ATOM 0 HG1 THR A 51 14.602 13.849 0.514 1.00100.00 H new ATOM 0 HG21 THR A 51 17.363 13.721 -1.727 1.00100.00 H new ATOM 0 HG22 THR A 51 18.527 13.313 -0.444 1.00100.00 H new ATOM 0 HG23 THR A 51 17.296 12.126 -0.939 1.00100.00 H new ATOM 797 N ASP A 52 16.645 13.610 3.920 1.00100.00 N ATOM 798 CA ASP A 52 16.114 14.262 5.080 1.00100.00 C ATOM 799 C ASP A 52 16.836 15.575 5.183 1.00100.00 C ATOM 800 O ASP A 52 18.023 15.650 5.510 1.00100.00 O ATOM 801 CB ASP A 52 16.296 13.426 6.379 1.00100.00 C ATOM 802 CG ASP A 52 15.794 14.193 7.596 1.00100.00 C ATOM 803 OD1 ASP A 52 14.725 14.828 7.468 1.00100.00 O ATOM 804 OD2 ASP A 52 16.493 14.134 8.631 1.00100.00 O1- ATOM 0 H ASP A 52 17.473 13.038 4.089 1.00100.00 H new ATOM 0 HA ASP A 52 15.037 14.394 4.975 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.754 12.485 6.289 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.349 13.176 6.511 1.00100.00 H new ATOM 809 N GLY A 53 16.087 16.638 4.830 1.00100.00 N ATOM 810 CA GLY A 53 16.523 18.005 4.861 1.00100.00 C ATOM 811 C GLY A 53 17.204 18.455 3.601 1.00100.00 C ATOM 812 O GLY A 53 17.406 19.657 3.428 1.00100.00 O ATOM 0 H GLY A 53 15.125 16.539 4.505 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.662 18.647 5.046 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.206 18.139 5.700 1.00100.00 H new ATOM 816 N GLU A 54 17.575 17.517 2.694 1.00100.00 N ATOM 817 CA GLU A 54 18.228 17.849 1.451 1.00100.00 C ATOM 818 C GLU A 54 17.282 18.539 0.508 1.00100.00 C ATOM 819 O GLU A 54 17.659 19.519 -0.137 1.00100.00 O ATOM 820 CB GLU A 54 18.832 16.624 0.751 1.00100.00 C ATOM 821 CG GLU A 54 19.770 15.870 1.694 1.00100.00 C ATOM 822 CD GLU A 54 20.426 14.689 0.991 1.00100.00 C ATOM 823 OE1 GLU A 54 20.914 14.896 -0.141 1.00100.00 O ATOM 824 OE2 GLU A 54 20.429 13.597 1.600 1.00100.00 O1- ATOM 0 H GLU A 54 17.420 16.517 2.825 1.00100.00 H new ATOM 0 HA GLU A 54 19.043 18.523 1.714 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.035 15.961 0.416 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.378 16.940 -0.138 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.538 16.548 2.065 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.211 15.516 2.560 1.00100.00 H new ATOM 831 N ASP A 55 16.024 18.029 0.428 1.00100.00 N ATOM 832 CA ASP A 55 14.979 18.563 -0.415 1.00100.00 C ATOM 833 C ASP A 55 14.638 19.957 0.012 1.00100.00 C ATOM 834 O ASP A 55 14.529 20.855 -0.826 1.00100.00 O ATOM 835 CB ASP A 55 13.652 17.771 -0.335 1.00100.00 C ATOM 836 CG ASP A 55 13.765 16.368 -0.928 1.00100.00 C ATOM 837 OD1 ASP A 55 14.740 16.127 -1.671 1.00100.00 O ATOM 838 OD2 ASP A 55 12.855 15.560 -0.638 1.00100.00 O1- ATOM 0 H ASP A 55 15.726 17.217 0.969 1.00100.00 H new ATOM 0 HA ASP A 55 15.378 18.508 -1.428 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.341 17.696 0.707 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.873 18.322 -0.862 1.00100.00 H new ATOM 843 N ASP A 56 14.505 20.141 1.353 1.00100.00 N ATOM 844 CA ASP A 56 14.175 21.366 2.037 1.00100.00 C ATOM 845 C ASP A 56 12.895 21.971 1.495 1.00100.00 C ATOM 846 O ASP A 56 12.790 23.181 1.281 1.00100.00 O ATOM 847 CB ASP A 56 15.358 22.381 2.043 1.00100.00 C ATOM 848 CG ASP A 56 15.071 23.596 2.917 1.00100.00 C ATOM 849 OD1 ASP A 56 14.472 23.396 3.996 1.00100.00 O ATOM 850 OD2 ASP A 56 15.459 24.703 2.488 1.00100.00 O1- ATOM 0 H ASP A 56 14.640 19.369 2.006 1.00100.00 H new ATOM 0 HA ASP A 56 13.994 21.113 3.082 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.259 21.883 2.401 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.558 22.709 1.023 1.00100.00 H new ATOM 855 N VAL A 57 11.892 21.101 1.224 1.00100.00 N ATOM 856 CA VAL A 57 10.607 21.529 0.728 1.00100.00 C ATOM 857 C VAL A 57 9.686 21.493 1.921 1.00100.00 C ATOM 858 O VAL A 57 8.969 22.455 2.199 1.00100.00 O ATOM 859 CB VAL A 57 10.042 20.623 -0.366 1.00100.00 C ATOM 860 CG1 VAL A 57 8.663 21.115 -0.806 1.00100.00 C ATOM 861 CG2 VAL A 57 10.983 20.630 -1.570 1.00100.00 C ATOM 0 H VAL A 57 11.973 20.092 1.350 1.00100.00 H new ATOM 0 HA VAL A 57 10.704 22.516 0.275 1.00100.00 H new ATOM 0 HB VAL A 57 9.950 19.612 0.030 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.274 20.459 -1.585 1.00100.00 H new ATOM 0 HG12 VAL A 57 7.984 21.107 0.047 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.746 22.130 -1.194 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.580 19.984 -2.350 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.077 21.646 -1.953 1.00100.00 H new ATOM 0 HG23 VAL A 57 11.964 20.265 -1.267 1.00100.00 H new ATOM 871 N PHE A 58 9.732 20.370 2.672 1.00100.00 N ATOM 872 CA PHE A 58 8.913 20.147 3.825 1.00100.00 C ATOM 873 C PHE A 58 9.126 21.055 4.984 1.00100.00 C ATOM 874 O PHE A 58 8.139 21.415 5.627 1.00100.00 O ATOM 875 CB PHE A 58 8.753 18.660 4.179 1.00100.00 C ATOM 876 CG PHE A 58 7.671 18.082 3.298 1.00100.00 C ATOM 877 CD1 PHE A 58 7.927 17.841 1.941 1.00100.00 C ATOM 878 CD2 PHE A 58 6.370 17.935 3.801 1.00100.00 C ATOM 879 CE1 PHE A 58 6.885 17.448 1.091 1.00100.00 C ATOM 880 CE2 PHE A 58 5.331 17.532 2.953 1.00100.00 C ATOM 881 CZ PHE A 58 5.588 17.289 1.596 1.00100.00 C ATOM 0 H PHE A 58 10.361 19.594 2.467 1.00100.00 H new ATOM 0 HA PHE A 58 7.926 20.472 3.495 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.693 18.129 4.026 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.490 18.545 5.230 1.00100.00 H new ATOM 0 HD1 PHE A 58 8.927 17.958 1.551 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.169 18.133 4.844 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.082 17.267 0.045 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.332 17.408 3.344 1.00100.00 H new ATOM 0 HZ PHE A 58 4.787 16.980 0.941 1.00100.00 H new ATOM 891 N ASP A 59 10.394 21.440 5.287 1.00100.00 N ATOM 892 CA ASP A 59 10.650 22.346 6.390 1.00100.00 C ATOM 893 C ASP A 59 9.974 23.700 6.153 1.00100.00 C ATOM 894 O ASP A 59 9.276 24.143 7.068 1.00100.00 O ATOM 895 CB ASP A 59 12.159 22.511 6.727 1.00100.00 C ATOM 896 CG ASP A 59 12.773 21.165 7.093 1.00100.00 C ATOM 897 OD1 ASP A 59 12.206 20.510 7.994 1.00100.00 O ATOM 898 OD2 ASP A 59 13.792 20.814 6.461 1.00100.00 O1- ATOM 0 H ASP A 59 11.226 21.133 4.782 1.00100.00 H new ATOM 0 HA ASP A 59 10.205 21.885 7.272 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.684 22.937 5.872 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.279 23.210 7.555 1.00100.00 H new ATOM 903 N PRO A 60 10.092 24.380 4.955 1.00100.00 N ATOM 904 CA PRO A 60 9.405 25.634 4.705 1.00100.00 C ATOM 905 C PRO A 60 7.914 25.444 4.562 1.00100.00 C ATOM 906 O PRO A 60 7.178 26.396 4.827 1.00100.00 O ATOM 907 CB PRO A 60 9.992 26.221 3.423 1.00100.00 C ATOM 908 CG PRO A 60 11.337 25.508 3.297 1.00100.00 C ATOM 909 CD PRO A 60 11.077 24.138 3.920 1.00100.00 C ATOM 0 HA PRO A 60 9.549 26.306 5.551 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.352 26.028 2.562 1.00100.00 H new ATOM 0 HB3 PRO A 60 10.114 27.302 3.494 1.00100.00 H new ATOM 0 HG2 PRO A 60 11.649 25.422 2.256 1.00100.00 H new ATOM 0 HG3 PRO A 60 12.126 26.045 3.824 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.705 23.431 3.178 1.00100.00 H new ATOM 0 HD3 PRO A 60 11.991 23.713 4.336 1.00100.00 H new ATOM 917 N ASP A 61 7.473 24.229 4.138 1.00100.00 N ATOM 918 CA ASP A 61 6.103 23.821 3.915 1.00100.00 C ATOM 919 C ASP A 61 5.396 24.741 2.943 1.00100.00 C ATOM 920 O ASP A 61 4.239 25.134 3.128 1.00100.00 O ATOM 921 CB ASP A 61 5.317 23.622 5.246 1.00100.00 C ATOM 922 CG ASP A 61 3.980 22.938 4.988 1.00100.00 C ATOM 923 OD1 ASP A 61 4.013 21.821 4.427 1.00100.00 O ATOM 924 OD2 ASP A 61 2.951 23.549 5.350 1.00100.00 O1- ATOM 0 H ASP A 61 8.128 23.474 3.936 1.00100.00 H new ATOM 0 HA ASP A 61 6.135 22.839 3.443 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.910 23.023 5.937 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.150 24.588 5.723 1.00100.00 H new ATOM 929 N LEU A 62 6.124 25.108 1.863 1.00100.00 N ATOM 930 CA LEU A 62 5.613 25.968 0.836 1.00100.00 C ATOM 931 C LEU A 62 5.547 25.163 -0.417 1.00100.00 C ATOM 932 O LEU A 62 6.525 24.523 -0.814 1.00100.00 O ATOM 933 CB LEU A 62 6.511 27.182 0.511 1.00100.00 C ATOM 934 CG LEU A 62 6.780 28.034 1.754 1.00100.00 C ATOM 935 CD1 LEU A 62 7.713 29.183 1.376 1.00100.00 C ATOM 936 CD2 LEU A 62 5.480 28.604 2.320 1.00100.00 C ATOM 0 H LEU A 62 7.083 24.801 1.703 1.00100.00 H new ATOM 0 HA LEU A 62 4.656 26.347 1.194 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.457 26.834 0.096 1.00100.00 H new ATOM 0 HB3 LEU A 62 6.033 27.794 -0.254 1.00100.00 H new ATOM 0 HG LEU A 62 7.240 27.405 2.516 1.00100.00 H new ATOM 0 HD11 LEU A 62 7.910 29.796 2.256 1.00100.00 H new ATOM 0 HD12 LEU A 62 8.652 28.780 0.997 1.00100.00 H new ATOM 0 HD13 LEU A 62 7.243 29.795 0.606 1.00100.00 H new ATOM 0 HD21 LEU A 62 5.700 29.205 3.202 1.00100.00 H new ATOM 0 HD22 LEU A 62 4.998 29.228 1.567 1.00100.00 H new ATOM 0 HD23 LEU A 62 4.814 27.786 2.595 1.00100.00 H new ATOM 948 N ASP A 63 4.359 25.175 -1.056 1.00100.00 N ATOM 949 CA ASP A 63 4.154 24.465 -2.286 1.00100.00 C ATOM 950 C ASP A 63 4.025 25.533 -3.320 1.00100.00 C ATOM 951 O ASP A 63 3.167 26.414 -3.204 1.00100.00 O ATOM 952 CB ASP A 63 2.876 23.590 -2.310 1.00100.00 C ATOM 953 CG ASP A 63 2.958 22.510 -1.238 1.00100.00 C ATOM 954 OD1 ASP A 63 3.874 21.668 -1.353 1.00100.00 O ATOM 955 OD2 ASP A 63 2.111 22.552 -0.321 1.00100.00 O1- ATOM 0 H ASP A 63 3.538 25.678 -0.720 1.00100.00 H new ATOM 0 HA ASP A 63 4.980 23.771 -2.446 1.00100.00 H new ATOM 0 HB2 ASP A 63 1.997 24.213 -2.143 1.00100.00 H new ATOM 0 HB3 ASP A 63 2.759 23.130 -3.291 1.00100.00 H new ATOM 960 N MET A 64 4.914 25.484 -4.339 1.00100.00 N ATOM 961 CA MET A 64 4.906 26.454 -5.398 1.00100.00 C ATOM 962 C MET A 64 4.417 25.728 -6.610 1.00100.00 C ATOM 963 O MET A 64 5.122 24.909 -7.211 1.00100.00 O ATOM 964 CB MET A 64 6.299 27.053 -5.676 1.00100.00 C ATOM 965 CG MET A 64 6.832 27.751 -4.426 1.00100.00 C ATOM 966 SD MET A 64 8.500 28.430 -4.617 1.00100.00 S ATOM 967 CE MET A 64 8.172 29.682 -5.883 1.00100.00 C ATOM 0 H MET A 64 5.638 24.771 -4.428 1.00100.00 H new ATOM 0 HA MET A 64 4.271 27.296 -5.122 1.00100.00 H new ATOM 0 HB2 MET A 64 6.987 26.265 -5.983 1.00100.00 H new ATOM 0 HB3 MET A 64 6.240 27.763 -6.501 1.00100.00 H new ATOM 0 HG2 MET A 64 6.151 28.558 -4.155 1.00100.00 H new ATOM 0 HG3 MET A 64 6.832 27.042 -3.598 1.00100.00 H new ATOM 0 HE1 MET A 64 8.682 30.608 -5.619 1.00100.00 H new ATOM 0 HE2 MET A 64 8.537 29.329 -6.847 1.00100.00 H new ATOM 0 HE3 MET A 64 7.099 29.864 -5.946 1.00100.00 H new ATOM 977 N GLU A 65 3.181 26.086 -7.011 1.00100.00 N ATOM 978 CA GLU A 65 2.485 25.521 -8.133 1.00100.00 C ATOM 979 C GLU A 65 3.150 25.788 -9.441 1.00100.00 C ATOM 980 O GLU A 65 3.243 24.887 -10.273 1.00100.00 O ATOM 981 CB GLU A 65 1.021 25.981 -8.208 1.00100.00 C ATOM 982 CG GLU A 65 0.265 25.509 -6.968 1.00100.00 C ATOM 983 CD GLU A 65 -1.206 25.890 -7.054 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.484 27.107 -6.978 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.026 24.958 -7.197 1.00100.00 O1- ATOM 0 H GLU A 65 2.640 26.804 -6.530 1.00100.00 H new ATOM 0 HA GLU A 65 2.513 24.446 -7.955 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.975 27.068 -8.281 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.550 25.581 -9.106 1.00100.00 H new ATOM 0 HG2 GLU A 65 0.360 24.428 -6.868 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.708 25.951 -6.076 1.00100.00 H new ATOM 992 N VAL A 66 3.660 27.028 -9.616 1.00100.00 N ATOM 993 CA VAL A 66 4.317 27.481 -10.818 1.00100.00 C ATOM 994 C VAL A 66 5.549 26.647 -11.078 1.00100.00 C ATOM 995 O VAL A 66 5.751 26.218 -12.216 1.00100.00 O ATOM 996 CB VAL A 66 4.685 28.963 -10.720 1.00100.00 C ATOM 997 CG1 VAL A 66 5.378 29.420 -12.004 1.00100.00 C ATOM 998 CG2 VAL A 66 3.423 29.799 -10.508 1.00100.00 C ATOM 0 H VAL A 66 3.614 27.745 -8.892 1.00100.00 H new ATOM 0 HA VAL A 66 3.626 27.363 -11.652 1.00100.00 H new ATOM 0 HB VAL A 66 5.361 29.098 -9.876 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.635 30.476 -11.923 1.00100.00 H new ATOM 0 HG12 VAL A 66 6.286 28.836 -12.155 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.708 29.274 -12.851 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.692 30.853 -10.439 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.744 29.652 -11.348 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.932 29.489 -9.586 1.00100.00 H new ATOM 1008 N VAL A 67 6.363 26.374 -10.022 1.00100.00 N ATOM 1009 CA VAL A 67 7.579 25.607 -10.157 1.00100.00 C ATOM 1010 C VAL A 67 7.282 24.210 -10.625 1.00100.00 C ATOM 1011 O VAL A 67 7.887 23.787 -11.610 1.00100.00 O ATOM 1012 CB VAL A 67 8.390 25.571 -8.861 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.644 24.711 -9.024 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.795 26.989 -8.463 1.00100.00 C ATOM 0 H VAL A 67 6.174 26.688 -9.070 1.00100.00 H new ATOM 0 HA VAL A 67 8.187 26.111 -10.909 1.00100.00 H new ATOM 0 HB VAL A 67 7.766 25.133 -8.082 1.00100.00 H new ATOM 0 HG11 VAL A 67 10.203 24.702 -8.088 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.355 23.693 -9.284 1.00100.00 H new ATOM 0 HG13 VAL A 67 10.269 25.125 -9.816 1.00100.00 H new ATOM 0 HG21 VAL A 67 9.372 26.957 -7.539 1.00100.00 H new ATOM 0 HG22 VAL A 67 9.401 27.430 -9.254 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.901 27.594 -8.311 1.00100.00 H new ATOM 1024 N PHE A 68 6.317 23.504 -9.977 1.00100.00 N ATOM 1025 CA PHE A 68 6.014 22.160 -10.388 1.00100.00 C ATOM 1026 C PHE A 68 5.357 22.001 -11.723 1.00100.00 C ATOM 1027 O PHE A 68 5.697 21.081 -12.469 1.00100.00 O ATOM 1028 CB PHE A 68 5.459 21.204 -9.302 1.00100.00 C ATOM 1029 CG PHE A 68 4.032 21.391 -8.850 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.988 20.784 -9.561 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.763 22.073 -7.657 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.672 20.875 -9.087 1.00100.00 C ATOM 1033 CE2 PHE A 68 2.448 22.161 -7.180 1.00100.00 C ATOM 1034 CZ PHE A 68 1.402 21.565 -7.897 1.00100.00 C ATOM 0 H PHE A 68 5.765 23.854 -9.194 1.00100.00 H new ATOM 0 HA PHE A 68 7.028 21.794 -10.551 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.560 20.184 -9.673 1.00100.00 H new ATOM 0 HB3 PHE A 68 6.100 21.289 -8.425 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.197 20.246 -10.474 1.00100.00 H new ATOM 0 HD2 PHE A 68 4.569 22.532 -7.104 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.866 20.414 -9.639 1.00100.00 H new ATOM 0 HE2 PHE A 68 2.241 22.688 -6.260 1.00100.00 H new ATOM 0 HZ PHE A 68 0.388 21.637 -7.533 1.00100.00 H new ATOM 1044 N GLU A 69 4.430 22.918 -12.069 1.00100.00 N ATOM 1045 CA GLU A 69 3.713 22.839 -13.312 1.00100.00 C ATOM 1046 C GLU A 69 4.504 23.422 -14.445 1.00100.00 C ATOM 1047 O GLU A 69 4.346 24.581 -14.837 1.00100.00 O ATOM 1048 CB GLU A 69 2.313 23.478 -13.229 1.00100.00 C ATOM 1049 CG GLU A 69 1.482 22.831 -12.119 1.00100.00 C ATOM 1050 CD GLU A 69 0.146 23.540 -11.922 1.00100.00 C ATOM 1051 OE1 GLU A 69 0.000 24.661 -12.456 1.00100.00 O ATOM 1052 OE2 GLU A 69 -0.706 22.949 -11.223 1.00100.00 O1- ATOM 0 H GLU A 69 4.176 23.716 -11.487 1.00100.00 H new ATOM 0 HA GLU A 69 3.567 21.778 -13.514 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.408 24.548 -13.041 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.801 23.366 -14.185 1.00100.00 H new ATOM 0 HG2 GLU A 69 1.305 21.783 -12.362 1.00100.00 H new ATOM 0 HG3 GLU A 69 2.045 22.851 -11.186 1.00100.00 H new