USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 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 67 MET CE :methyl -118:sc= -0.161 (180deg=-3) USER MOD Set 1.2: A 70 SER OG : rot -85:sc= 0.462 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 83 LYS NZ :NH3+ -131:sc= 0.0796 (180deg=0) USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc=-0.00059 USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 0.0105 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 53:sc= 0.293 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc=-0.00862 (180deg=-0.544) USER MOD Single : A 23 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-8.7!) USER MOD Single : A 33 THR OG1 : rot 101:sc= 0.631 USER MOD Single : A 36 GLN :FLIP amide:sc= -2.81! C(o=-5.2!,f=-2.8!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.106 (180deg=-0.786) USER MOD Single : A 46 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-13!) USER MOD Single : A 66 ASN : amide:sc= 1.26 K(o=1.3,f=-0.016) USER MOD Single : A 68 ASN : amide:sc= -0.359 X(o=-0.36,f=0.032) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 85 MET CE :methyl 131:sc= -2.41 (180deg=-2.98) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.289 (180deg=-1.72!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -9.775 -14.222 20.789 1.00 0.00 N ATOM 2 CA GLY A -6 -10.900 -13.770 21.587 1.00 0.00 C ATOM 3 C GLY A -6 -10.992 -12.259 21.656 1.00 0.00 C ATOM 4 O GLY A -6 -10.716 -11.660 22.696 1.00 0.00 O ATOM 0 H1 GLY A -6 -9.756 -15.262 20.773 1.00 0.00 H new ATOM 0 H2 GLY A -6 -9.872 -13.862 19.818 1.00 0.00 H new ATOM 0 H3 GLY A -6 -8.890 -13.866 21.204 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -11.823 -14.168 21.166 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -10.810 -14.172 22.596 1.00 0.00 H new ATOM 8 N SER A -5 -11.378 -11.639 20.546 1.00 0.00 N ATOM 9 CA SER A -5 -11.500 -10.188 20.483 1.00 0.00 C ATOM 10 C SER A -5 -12.810 -9.725 21.113 1.00 0.00 C ATOM 11 O SER A -5 -13.787 -9.457 20.414 1.00 0.00 O ATOM 12 CB SER A -5 -11.423 -9.711 19.031 1.00 0.00 C ATOM 13 OG SER A -5 -12.338 -10.419 18.212 1.00 0.00 O ATOM 0 H SER A -5 -11.612 -12.120 19.677 1.00 0.00 H new ATOM 0 HA SER A -5 -10.673 -9.754 21.045 1.00 0.00 H new ATOM 0 HB2 SER A -5 -11.639 -8.644 18.984 1.00 0.00 H new ATOM 0 HB3 SER A -5 -10.410 -9.849 18.653 1.00 0.00 H new ATOM 0 HG SER A -5 -13.235 -10.366 18.603 1.00 0.00 H new ATOM 19 N SER A -4 -12.821 -9.633 22.439 1.00 0.00 N ATOM 20 CA SER A -4 -14.011 -9.206 23.166 1.00 0.00 C ATOM 21 C SER A -4 -14.517 -7.867 22.640 1.00 0.00 C ATOM 22 O SER A -4 -13.845 -6.844 22.764 1.00 0.00 O ATOM 23 CB SER A -4 -13.710 -9.098 24.662 1.00 0.00 C ATOM 24 OG SER A -4 -13.554 -10.381 25.244 1.00 0.00 O ATOM 0 H SER A -4 -12.019 -9.848 23.032 1.00 0.00 H new ATOM 0 HA SER A -4 -14.788 -9.955 23.012 1.00 0.00 H new ATOM 0 HB2 SER A -4 -12.802 -8.514 24.812 1.00 0.00 H new ATOM 0 HB3 SER A -4 -14.519 -8.564 25.161 1.00 0.00 H new ATOM 0 HG SER A -4 -13.361 -10.285 26.200 1.00 0.00 H new ATOM 30 N GLY A -3 -15.709 -7.881 22.050 1.00 0.00 N ATOM 31 CA GLY A -3 -16.287 -6.663 21.514 1.00 0.00 C ATOM 32 C GLY A -3 -17.300 -6.039 22.453 1.00 0.00 C ATOM 33 O GLY A -3 -18.411 -6.548 22.605 1.00 0.00 O ATOM 0 H GLY A -3 -16.285 -8.715 21.934 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -15.492 -5.945 21.313 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -16.767 -6.882 20.560 1.00 0.00 H new ATOM 37 N SER A -2 -16.917 -4.935 23.085 1.00 0.00 N ATOM 38 CA SER A -2 -17.799 -4.243 24.018 1.00 0.00 C ATOM 39 C SER A -2 -18.793 -3.358 23.273 1.00 0.00 C ATOM 40 O SER A -2 -20.006 -3.532 23.391 1.00 0.00 O ATOM 41 CB SER A -2 -16.980 -3.399 24.996 1.00 0.00 C ATOM 42 OG SER A -2 -15.992 -4.182 25.643 1.00 0.00 O ATOM 0 H SER A -2 -16.002 -4.500 22.968 1.00 0.00 H new ATOM 0 HA SER A -2 -18.357 -4.994 24.576 1.00 0.00 H new ATOM 0 HB2 SER A -2 -16.504 -2.577 24.461 1.00 0.00 H new ATOM 0 HB3 SER A -2 -17.641 -2.955 25.740 1.00 0.00 H new ATOM 0 HG SER A -2 -15.481 -3.619 26.261 1.00 0.00 H new ATOM 48 N SER A -1 -18.269 -2.409 22.504 1.00 0.00 N ATOM 49 CA SER A -1 -19.109 -1.493 21.742 1.00 0.00 C ATOM 50 C SER A -1 -18.484 -1.183 20.385 1.00 0.00 C ATOM 51 O SER A -1 -17.273 -0.992 20.276 1.00 0.00 O ATOM 52 CB SER A -1 -19.327 -0.196 22.523 1.00 0.00 C ATOM 53 OG SER A -1 -19.863 0.818 21.691 1.00 0.00 O ATOM 0 H SER A -1 -17.267 -2.255 22.392 1.00 0.00 H new ATOM 0 HA SER A -1 -20.072 -1.976 21.578 1.00 0.00 H new ATOM 0 HB2 SER A -1 -20.003 -0.380 23.358 1.00 0.00 H new ATOM 0 HB3 SER A -1 -18.381 0.140 22.947 1.00 0.00 H new ATOM 0 HG SER A -1 -19.994 1.636 22.215 1.00 0.00 H new ATOM 59 N GLY A 0 -19.319 -1.136 19.352 1.00 0.00 N ATOM 60 CA GLY A 0 -18.831 -0.849 18.015 1.00 0.00 C ATOM 61 C GLY A 0 -19.949 -0.762 16.996 1.00 0.00 C ATOM 62 O GLY A 0 -20.173 -1.699 16.230 1.00 0.00 O ATOM 0 H GLY A 0 -20.325 -1.292 19.417 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -18.280 0.092 18.027 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -18.128 -1.626 17.713 1.00 0.00 H new ATOM 66 N MET A 1 -20.653 0.365 16.986 1.00 0.00 N ATOM 67 CA MET A 1 -21.754 0.570 16.053 1.00 0.00 C ATOM 68 C MET A 1 -21.249 1.142 14.733 1.00 0.00 C ATOM 69 O MET A 1 -21.193 2.359 14.554 1.00 0.00 O ATOM 70 CB MET A 1 -22.799 1.507 16.662 1.00 0.00 C ATOM 71 CG MET A 1 -23.953 1.821 15.724 1.00 0.00 C ATOM 72 SD MET A 1 -25.202 0.521 15.699 1.00 0.00 S ATOM 73 CE MET A 1 -25.192 0.075 13.964 1.00 0.00 C ATOM 0 H MET A 1 -20.480 1.150 17.614 1.00 0.00 H new ATOM 0 HA MET A 1 -22.215 -0.398 15.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.194 1.055 17.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.314 2.439 16.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.417 2.760 16.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.567 1.968 14.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.916 -0.721 13.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.457 0.945 13.363 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.197 -0.271 13.683 1.00 0.00 H new ATOM 83 N ALA A 2 -20.880 0.258 13.812 1.00 0.00 N ATOM 84 CA ALA A 2 -20.381 0.676 12.508 1.00 0.00 C ATOM 85 C ALA A 2 -21.514 0.777 11.492 1.00 0.00 C ATOM 86 O ALA A 2 -22.004 -0.236 10.990 1.00 0.00 O ATOM 87 CB ALA A 2 -19.314 -0.291 12.016 1.00 0.00 C ATOM 0 H ALA A 2 -20.917 -0.753 13.945 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.937 1.665 12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.950 0.034 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.486 -0.310 12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.741 -1.290 11.930 1.00 0.00 H new ATOM 93 N THR A 3 -21.928 2.004 11.194 1.00 0.00 N ATOM 94 CA THR A 3 -23.005 2.237 10.240 1.00 0.00 C ATOM 95 C THR A 3 -22.497 2.151 8.805 1.00 0.00 C ATOM 96 O THR A 3 -23.138 1.550 7.943 1.00 0.00 O ATOM 97 CB THR A 3 -23.662 3.613 10.458 1.00 0.00 C ATOM 98 OG1 THR A 3 -22.673 4.646 10.379 1.00 0.00 O ATOM 99 CG2 THR A 3 -24.357 3.672 11.810 1.00 0.00 C ATOM 0 H THR A 3 -21.533 2.853 11.600 1.00 0.00 H new ATOM 0 HA THR A 3 -23.748 1.457 10.407 1.00 0.00 H new ATOM 0 HB THR A 3 -24.407 3.763 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 3 -23.099 5.518 10.517 1.00 0.00 H new ATOM 0 HG21 THR A 3 -24.814 4.653 11.942 1.00 0.00 H new ATOM 0 HG22 THR A 3 -25.128 2.903 11.856 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.627 3.502 12.602 1.00 0.00 H new ATOM 107 N THR A 4 -21.340 2.756 8.555 1.00 0.00 N ATOM 108 CA THR A 4 -20.745 2.748 7.224 1.00 0.00 C ATOM 109 C THR A 4 -19.956 1.467 6.982 1.00 0.00 C ATOM 110 O THR A 4 -18.813 1.337 7.423 1.00 0.00 O ATOM 111 CB THR A 4 -19.815 3.958 7.018 1.00 0.00 C ATOM 112 OG1 THR A 4 -20.549 5.176 7.188 1.00 0.00 O ATOM 113 CG2 THR A 4 -19.188 3.928 5.632 1.00 0.00 C ATOM 0 H THR A 4 -20.796 3.258 9.257 1.00 0.00 H new ATOM 0 HA THR A 4 -21.566 2.805 6.510 1.00 0.00 H new ATOM 0 HB THR A 4 -19.020 3.907 7.762 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.950 5.940 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.535 4.792 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.606 3.014 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.973 3.956 4.877 1.00 0.00 H new ATOM 121 N LYS A 5 -20.571 0.522 6.279 1.00 0.00 N ATOM 122 CA LYS A 5 -19.925 -0.749 5.976 1.00 0.00 C ATOM 123 C LYS A 5 -19.407 -0.768 4.541 1.00 0.00 C ATOM 124 O LYS A 5 -19.491 -1.787 3.854 1.00 0.00 O ATOM 125 CB LYS A 5 -20.903 -1.906 6.191 1.00 0.00 C ATOM 126 CG LYS A 5 -21.109 -2.265 7.653 1.00 0.00 C ATOM 127 CD LYS A 5 -22.211 -3.296 7.825 1.00 0.00 C ATOM 128 CE LYS A 5 -21.971 -4.171 9.045 1.00 0.00 C ATOM 129 NZ LYS A 5 -22.281 -3.454 10.312 1.00 0.00 N ATOM 0 H LYS A 5 -21.517 0.613 5.908 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.078 -0.867 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -21.865 -1.644 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -20.537 -2.784 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.179 -2.653 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -21.359 -1.367 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -23.172 -2.790 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -22.268 -3.921 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -22.587 -5.068 8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.931 -4.498 9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.663 -3.807 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -22.122 -2.434 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -23.275 -3.619 10.570 1.00 0.00 H new ATOM 143 N ARG A 6 -18.870 0.363 4.095 1.00 0.00 N ATOM 144 CA ARG A 6 -18.339 0.475 2.742 1.00 0.00 C ATOM 145 C ARG A 6 -16.818 0.592 2.764 1.00 0.00 C ATOM 146 O ARG A 6 -16.129 0.021 1.918 1.00 0.00 O ATOM 147 CB ARG A 6 -18.944 1.688 2.033 1.00 0.00 C ATOM 148 CG ARG A 6 -20.447 1.587 1.828 1.00 0.00 C ATOM 149 CD ARG A 6 -21.068 2.952 1.578 1.00 0.00 C ATOM 150 NE ARG A 6 -20.730 3.474 0.257 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.289 4.557 -0.271 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.208 5.230 0.407 1.00 0.00 N ATOM 153 NH2 ARG A 6 -20.928 4.970 -1.479 1.00 0.00 N ATOM 0 H ARG A 6 -18.791 1.215 4.651 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.609 -0.429 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.724 2.584 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.461 1.810 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.657 0.930 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.905 1.133 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.151 2.880 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.727 3.651 2.342 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.026 2.980 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.487 4.917 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.636 6.061 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.220 4.456 -2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.358 5.802 -1.883 1.00 0.00 H new ATOM 167 N VAL A 7 -16.300 1.336 3.736 1.00 0.00 N ATOM 168 CA VAL A 7 -14.861 1.527 3.869 1.00 0.00 C ATOM 169 C VAL A 7 -14.230 0.406 4.687 1.00 0.00 C ATOM 170 O VAL A 7 -14.532 0.239 5.869 1.00 0.00 O ATOM 171 CB VAL A 7 -14.532 2.878 4.531 1.00 0.00 C ATOM 172 CG1 VAL A 7 -13.031 3.031 4.717 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.096 4.026 3.707 1.00 0.00 C ATOM 0 H VAL A 7 -16.856 1.817 4.443 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.447 1.514 2.861 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.999 2.904 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.819 3.992 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.659 2.227 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.537 2.984 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.854 4.973 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.660 4.006 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.179 3.923 3.632 1.00 0.00 H new ATOM 183 N LEU A 8 -13.352 -0.362 4.051 1.00 0.00 N ATOM 184 CA LEU A 8 -12.677 -1.469 4.720 1.00 0.00 C ATOM 185 C LEU A 8 -11.250 -1.087 5.099 1.00 0.00 C ATOM 186 O LEU A 8 -10.547 -0.431 4.330 1.00 0.00 O ATOM 187 CB LEU A 8 -12.665 -2.704 3.818 1.00 0.00 C ATOM 188 CG LEU A 8 -14.014 -3.123 3.234 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.870 -4.397 2.416 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.040 -3.312 4.342 1.00 0.00 C ATOM 0 H LEU A 8 -13.091 -0.238 3.073 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.226 -1.699 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.976 -2.520 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.263 -3.541 4.388 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.364 -2.329 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.841 -4.679 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.169 -4.227 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.497 -5.199 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.994 -3.610 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.696 -4.086 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.166 -2.375 4.885 1.00 0.00 H new ATOM 202 N TYR A 9 -10.827 -1.504 6.287 1.00 0.00 N ATOM 203 CA TYR A 9 -9.484 -1.206 6.768 1.00 0.00 C ATOM 204 C TYR A 9 -8.549 -2.389 6.541 1.00 0.00 C ATOM 205 O TYR A 9 -8.842 -3.514 6.947 1.00 0.00 O ATOM 206 CB TYR A 9 -9.520 -0.847 8.255 1.00 0.00 C ATOM 207 CG TYR A 9 -8.165 -0.904 8.924 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.639 -2.110 9.371 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.411 0.248 9.109 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.402 -2.166 9.983 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.172 0.201 9.720 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.673 -1.008 10.156 1.00 0.00 C ATOM 213 OH TYR A 9 -4.440 -1.061 10.764 1.00 0.00 O ATOM 0 H TYR A 9 -11.395 -2.050 6.935 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.105 -0.354 6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.930 0.157 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.198 -1.528 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.207 -3.019 9.238 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.800 1.197 8.770 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.008 -3.112 10.324 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.598 1.106 9.855 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.058 -0.160 10.807 1.00 0.00 H new ATOM 223 N VAL A 10 -7.419 -2.127 5.891 1.00 0.00 N ATOM 224 CA VAL A 10 -6.439 -3.169 5.611 1.00 0.00 C ATOM 225 C VAL A 10 -5.124 -2.895 6.333 1.00 0.00 C ATOM 226 O VAL A 10 -4.623 -1.771 6.327 1.00 0.00 O ATOM 227 CB VAL A 10 -6.166 -3.292 4.100 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.115 -4.358 3.832 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.453 -3.600 3.350 1.00 0.00 C ATOM 0 H VAL A 10 -7.160 -1.202 5.549 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.861 -4.106 5.974 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.781 -2.338 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.936 -4.430 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.187 -4.090 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.468 -5.319 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.242 -3.684 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.869 -4.540 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.172 -2.797 3.516 1.00 0.00 H new ATOM 239 N GLY A 11 -4.569 -3.931 6.954 1.00 0.00 N ATOM 240 CA GLY A 11 -3.316 -3.782 7.672 1.00 0.00 C ATOM 241 C GLY A 11 -2.324 -4.879 7.341 1.00 0.00 C ATOM 242 O GLY A 11 -2.667 -5.856 6.678 1.00 0.00 O ATOM 0 H GLY A 11 -4.964 -4.871 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.876 -2.814 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.513 -3.786 8.744 1.00 0.00 H new ATOM 246 N GLY A 12 -1.088 -4.716 7.804 1.00 0.00 N ATOM 247 CA GLY A 12 -0.061 -5.707 7.542 1.00 0.00 C ATOM 248 C GLY A 12 0.242 -5.851 6.064 1.00 0.00 C ATOM 249 O GLY A 12 0.519 -6.950 5.583 1.00 0.00 O ATOM 0 H GLY A 12 -0.780 -3.915 8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.851 -5.430 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.380 -6.670 7.940 1.00 0.00 H new ATOM 253 N LEU A 13 0.190 -4.738 5.340 1.00 0.00 N ATOM 254 CA LEU A 13 0.460 -4.744 3.907 1.00 0.00 C ATOM 255 C LEU A 13 1.961 -4.732 3.636 1.00 0.00 C ATOM 256 O LEU A 13 2.770 -4.755 4.563 1.00 0.00 O ATOM 257 CB LEU A 13 -0.200 -3.536 3.238 1.00 0.00 C ATOM 258 CG LEU A 13 -1.724 -3.578 3.132 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.254 -2.283 2.536 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.168 -4.771 2.297 1.00 0.00 C ATOM 0 H LEU A 13 -0.037 -3.820 5.722 1.00 0.00 H new ATOM 0 HA LEU A 13 0.040 -5.658 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.081 -2.640 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.211 -3.432 2.234 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.135 -3.688 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.341 -2.332 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.967 -1.446 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.834 -2.142 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.256 -4.785 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.746 -4.691 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.821 -5.692 2.765 1.00 0.00 H new ATOM 272 N ALA A 14 2.326 -4.694 2.358 1.00 0.00 N ATOM 273 CA ALA A 14 3.730 -4.675 1.965 1.00 0.00 C ATOM 274 C ALA A 14 4.226 -3.246 1.770 1.00 0.00 C ATOM 275 O ALA A 14 3.447 -2.296 1.835 1.00 0.00 O ATOM 276 CB ALA A 14 3.932 -5.484 0.693 1.00 0.00 C ATOM 0 H ALA A 14 1.669 -4.676 1.578 1.00 0.00 H new ATOM 0 HA ALA A 14 4.313 -5.128 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.985 -5.461 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.624 -6.515 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.332 -5.056 -0.110 1.00 0.00 H new ATOM 282 N GLU A 15 5.526 -3.104 1.533 1.00 0.00 N ATOM 283 CA GLU A 15 6.125 -1.790 1.331 1.00 0.00 C ATOM 284 C GLU A 15 5.909 -1.308 -0.101 1.00 0.00 C ATOM 285 O GLU A 15 5.973 -0.111 -0.380 1.00 0.00 O ATOM 286 CB GLU A 15 7.622 -1.833 1.646 1.00 0.00 C ATOM 287 CG GLU A 15 8.446 -2.544 0.586 1.00 0.00 C ATOM 288 CD GLU A 15 9.916 -2.630 0.951 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.274 -3.507 1.765 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.707 -1.821 0.424 1.00 0.00 O ATOM 0 H GLU A 15 6.184 -3.881 1.476 1.00 0.00 H new ATOM 0 HA GLU A 15 5.638 -1.089 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.991 -0.813 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.769 -2.332 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.052 -3.550 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.341 -2.019 -0.363 1.00 0.00 H new ATOM 297 N GLU A 16 5.655 -2.250 -1.004 1.00 0.00 N ATOM 298 CA GLU A 16 5.431 -1.921 -2.407 1.00 0.00 C ATOM 299 C GLU A 16 3.939 -1.834 -2.714 1.00 0.00 C ATOM 300 O GLU A 16 3.531 -1.212 -3.696 1.00 0.00 O ATOM 301 CB GLU A 16 6.088 -2.967 -3.310 1.00 0.00 C ATOM 302 CG GLU A 16 7.594 -3.063 -3.134 1.00 0.00 C ATOM 303 CD GLU A 16 8.336 -1.940 -3.832 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.221 -1.832 -5.071 1.00 0.00 O ATOM 305 OE2 GLU A 16 9.031 -1.168 -3.139 1.00 0.00 O ATOM 0 H GLU A 16 5.599 -3.246 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 16 5.882 -0.948 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.644 -3.941 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.867 -2.727 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.834 -3.046 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.941 -4.020 -3.524 1.00 0.00 H new ATOM 312 N VAL A 17 3.129 -2.462 -1.868 1.00 0.00 N ATOM 313 CA VAL A 17 1.682 -2.456 -2.048 1.00 0.00 C ATOM 314 C VAL A 17 1.119 -1.045 -1.922 1.00 0.00 C ATOM 315 O VAL A 17 1.321 -0.373 -0.911 1.00 0.00 O ATOM 316 CB VAL A 17 0.985 -3.368 -1.022 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.527 -3.250 -1.142 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.431 -4.811 -1.203 1.00 0.00 C ATOM 0 H VAL A 17 3.450 -2.981 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 17 1.486 -2.834 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 17 1.272 -3.045 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.002 -3.902 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.827 -2.218 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.837 -3.545 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.929 -5.442 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.175 -5.148 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.510 -4.879 -1.062 1.00 0.00 H new ATOM 328 N ASP A 18 0.411 -0.602 -2.955 1.00 0.00 N ATOM 329 CA ASP A 18 -0.184 0.730 -2.960 1.00 0.00 C ATOM 330 C ASP A 18 -1.595 0.693 -3.539 1.00 0.00 C ATOM 331 O ASP A 18 -2.061 -0.350 -3.997 1.00 0.00 O ATOM 332 CB ASP A 18 0.685 1.697 -3.765 1.00 0.00 C ATOM 333 CG ASP A 18 1.170 1.092 -5.068 1.00 0.00 C ATOM 334 OD1 ASP A 18 0.486 0.190 -5.594 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.235 1.521 -5.561 1.00 0.00 O ATOM 0 H ASP A 18 0.235 -1.146 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.243 1.078 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.115 2.602 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.544 1.995 -3.164 1.00 0.00 H new ATOM 340 N ASP A 19 -2.270 1.837 -3.513 1.00 0.00 N ATOM 341 CA ASP A 19 -3.628 1.935 -4.035 1.00 0.00 C ATOM 342 C ASP A 19 -3.781 1.112 -5.310 1.00 0.00 C ATOM 343 O ASP A 19 -4.855 0.581 -5.594 1.00 0.00 O ATOM 344 CB ASP A 19 -3.986 3.396 -4.311 1.00 0.00 C ATOM 345 CG ASP A 19 -3.262 3.951 -5.522 1.00 0.00 C ATOM 346 OD1 ASP A 19 -3.781 3.794 -6.646 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.176 4.542 -5.345 1.00 0.00 O ATOM 0 H ASP A 19 -1.899 2.709 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.310 1.537 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.062 3.481 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.740 3.999 -3.437 1.00 0.00 H new ATOM 352 N LYS A 20 -2.700 1.010 -6.076 1.00 0.00 N ATOM 353 CA LYS A 20 -2.713 0.251 -7.321 1.00 0.00 C ATOM 354 C LYS A 20 -2.784 -1.247 -7.044 1.00 0.00 C ATOM 355 O LYS A 20 -3.731 -1.920 -7.453 1.00 0.00 O ATOM 356 CB LYS A 20 -1.466 0.569 -8.149 1.00 0.00 C ATOM 357 CG LYS A 20 -1.337 2.037 -8.516 1.00 0.00 C ATOM 358 CD LYS A 20 0.118 2.453 -8.649 1.00 0.00 C ATOM 359 CE LYS A 20 0.661 2.149 -10.037 1.00 0.00 C ATOM 360 NZ LYS A 20 1.024 0.713 -10.188 1.00 0.00 N ATOM 0 H LYS A 20 -1.803 1.444 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.600 0.541 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.581 0.264 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.486 -0.025 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.857 2.225 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.823 2.647 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.212 3.520 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.716 1.932 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.085 2.416 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.538 2.767 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.735 0.612 -10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.415 0.358 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.176 0.165 -10.437 1.00 0.00 H new ATOM 374 N VAL A 21 -1.778 -1.764 -6.346 1.00 0.00 N ATOM 375 CA VAL A 21 -1.728 -3.183 -6.012 1.00 0.00 C ATOM 376 C VAL A 21 -2.992 -3.620 -5.282 1.00 0.00 C ATOM 377 O VAL A 21 -3.508 -4.715 -5.511 1.00 0.00 O ATOM 378 CB VAL A 21 -0.503 -3.511 -5.138 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.437 -5.003 -4.850 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.775 -3.032 -5.810 1.00 0.00 C ATOM 0 H VAL A 21 -0.986 -1.222 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.649 -3.727 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.605 -2.986 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.435 -5.216 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.340 -5.312 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.359 -5.552 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.630 -3.272 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.886 -3.527 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.725 -1.953 -5.959 1.00 0.00 H new ATOM 390 N LEU A 22 -3.488 -2.758 -4.401 1.00 0.00 N ATOM 391 CA LEU A 22 -4.694 -3.055 -3.636 1.00 0.00 C ATOM 392 C LEU A 22 -5.937 -2.940 -4.512 1.00 0.00 C ATOM 393 O LEU A 22 -6.856 -3.755 -4.415 1.00 0.00 O ATOM 394 CB LEU A 22 -4.810 -2.107 -2.441 1.00 0.00 C ATOM 395 CG LEU A 22 -3.904 -2.416 -1.249 1.00 0.00 C ATOM 396 CD1 LEU A 22 -3.918 -1.265 -0.255 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.334 -3.710 -0.574 1.00 0.00 C ATOM 0 H LEU A 22 -3.074 -1.848 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.621 -4.080 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.594 -1.095 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.844 -2.113 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.885 -2.541 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.267 -1.503 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.562 -0.358 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.935 -1.108 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.678 -3.914 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.361 -3.613 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.271 -4.531 -1.288 1.00 0.00 H new ATOM 409 N HIS A 23 -5.959 -1.925 -5.370 1.00 0.00 N ATOM 410 CA HIS A 23 -7.088 -1.706 -6.267 1.00 0.00 C ATOM 411 C HIS A 23 -7.340 -2.935 -7.134 1.00 0.00 C ATOM 412 O HIS A 23 -8.452 -3.460 -7.176 1.00 0.00 O ATOM 413 CB HIS A 23 -6.834 -0.485 -7.152 1.00 0.00 C ATOM 414 CG HIS A 23 -7.589 -0.516 -8.446 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.405 -1.494 -9.401 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.534 0.317 -8.939 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.204 -1.260 -10.427 1.00 0.00 C ATOM 418 NE2 HIS A 23 -8.900 -0.167 -10.171 1.00 0.00 N ATOM 0 H HIS A 23 -5.208 -1.241 -5.463 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.974 -1.526 -5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.108 0.415 -6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.767 -0.416 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.927 1.198 -8.454 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.276 -1.860 -11.322 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.597 0.250 -10.788 1.00 0.00 H new ATOM 426 N ALA A 24 -6.299 -3.388 -7.826 1.00 0.00 N ATOM 427 CA ALA A 24 -6.408 -4.556 -8.692 1.00 0.00 C ATOM 428 C ALA A 24 -6.619 -5.826 -7.876 1.00 0.00 C ATOM 429 O ALA A 24 -7.142 -6.819 -8.380 1.00 0.00 O ATOM 430 CB ALA A 24 -5.166 -4.685 -9.561 1.00 0.00 C ATOM 0 H ALA A 24 -5.371 -2.964 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.277 -4.421 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.260 -5.561 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.059 -3.793 -10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.287 -4.794 -8.926 1.00 0.00 H new ATOM 436 N ALA A 25 -6.208 -5.788 -6.613 1.00 0.00 N ATOM 437 CA ALA A 25 -6.353 -6.936 -5.727 1.00 0.00 C ATOM 438 C ALA A 25 -7.752 -6.987 -5.120 1.00 0.00 C ATOM 439 O ALA A 25 -8.162 -8.008 -4.567 1.00 0.00 O ATOM 440 CB ALA A 25 -5.301 -6.893 -4.629 1.00 0.00 C ATOM 0 H ALA A 25 -5.772 -4.974 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.208 -7.840 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.422 -7.757 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.307 -6.913 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.419 -5.979 -4.048 1.00 0.00 H new ATOM 446 N PHE A 26 -8.479 -5.880 -5.227 1.00 0.00 N ATOM 447 CA PHE A 26 -9.831 -5.799 -4.687 1.00 0.00 C ATOM 448 C PHE A 26 -10.841 -5.505 -5.792 1.00 0.00 C ATOM 449 O PHE A 26 -12.041 -5.394 -5.537 1.00 0.00 O ATOM 450 CB PHE A 26 -9.908 -4.715 -3.609 1.00 0.00 C ATOM 451 CG PHE A 26 -9.235 -5.101 -2.323 1.00 0.00 C ATOM 452 CD1 PHE A 26 -7.914 -5.518 -2.315 1.00 0.00 C ATOM 453 CD2 PHE A 26 -9.924 -5.046 -1.122 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.291 -5.873 -1.133 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.306 -5.399 0.063 1.00 0.00 C ATOM 456 CZ PHE A 26 -7.989 -5.814 0.058 1.00 0.00 C ATOM 0 H PHE A 26 -8.155 -5.027 -5.683 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.076 -6.763 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.450 -3.802 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.955 -4.487 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.364 -5.566 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.955 -4.724 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.260 -6.196 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.853 -5.350 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.506 -6.092 0.983 1.00 0.00 H new ATOM 466 N ILE A 27 -10.347 -5.380 -7.019 1.00 0.00 N ATOM 467 CA ILE A 27 -11.206 -5.100 -8.163 1.00 0.00 C ATOM 468 C ILE A 27 -12.250 -6.196 -8.348 1.00 0.00 C ATOM 469 O ILE A 27 -13.367 -5.953 -8.805 1.00 0.00 O ATOM 470 CB ILE A 27 -10.387 -4.962 -9.461 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.188 -4.195 -10.515 1.00 0.00 C ATOM 472 CG2 ILE A 27 -9.989 -6.334 -9.984 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.441 -2.750 -10.148 1.00 0.00 C ATOM 0 H ILE A 27 -9.357 -5.468 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.708 -4.155 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.478 -4.401 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.653 -4.232 -11.464 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.144 -4.695 -10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.411 -6.220 -10.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.385 -6.847 -9.236 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.885 -6.919 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.014 -2.268 -10.940 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.003 -2.705 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.489 -2.234 -10.023 1.00 0.00 H new ATOM 485 N PRO A 28 -11.880 -7.433 -7.984 1.00 0.00 N ATOM 486 CA PRO A 28 -12.772 -8.591 -8.098 1.00 0.00 C ATOM 487 C PRO A 28 -14.045 -8.427 -7.274 1.00 0.00 C ATOM 488 O PRO A 28 -15.152 -8.461 -7.811 1.00 0.00 O ATOM 489 CB PRO A 28 -11.926 -9.744 -7.551 1.00 0.00 C ATOM 490 CG PRO A 28 -10.518 -9.277 -7.683 1.00 0.00 C ATOM 491 CD PRO A 28 -10.564 -7.796 -7.431 1.00 0.00 C ATOM 0 HA PRO A 28 -13.115 -8.742 -9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.176 -9.960 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.094 -10.661 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.869 -9.778 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.123 -9.495 -8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.488 -7.560 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.751 -7.271 -7.933 1.00 0.00 H new ATOM 499 N PHE A 29 -13.880 -8.247 -5.968 1.00 0.00 N ATOM 500 CA PHE A 29 -15.016 -8.077 -5.070 1.00 0.00 C ATOM 501 C PHE A 29 -16.095 -7.213 -5.716 1.00 0.00 C ATOM 502 O PHE A 29 -17.142 -7.711 -6.128 1.00 0.00 O ATOM 503 CB PHE A 29 -14.562 -7.447 -3.752 1.00 0.00 C ATOM 504 CG PHE A 29 -13.689 -8.348 -2.926 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.124 -9.612 -2.562 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.435 -7.930 -2.512 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.323 -10.444 -1.802 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.630 -8.757 -1.752 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.075 -10.015 -1.396 1.00 0.00 C ATOM 0 H PHE A 29 -12.970 -8.215 -5.508 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.437 -9.062 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.020 -6.526 -3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.441 -7.171 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.100 -9.951 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.082 -6.947 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.673 -11.428 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.654 -8.420 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.448 -10.662 -0.801 1.00 0.00 H new ATOM 519 N GLY A 30 -15.831 -5.912 -5.800 1.00 0.00 N ATOM 520 CA GLY A 30 -16.788 -4.998 -6.395 1.00 0.00 C ATOM 521 C GLY A 30 -16.119 -3.902 -7.201 1.00 0.00 C ATOM 522 O GLY A 30 -15.069 -4.120 -7.806 1.00 0.00 O ATOM 0 H GLY A 30 -14.972 -5.475 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.467 -5.556 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.394 -4.548 -5.608 1.00 0.00 H new ATOM 526 N ASP A 31 -16.729 -2.722 -7.212 1.00 0.00 N ATOM 527 CA ASP A 31 -16.186 -1.588 -7.951 1.00 0.00 C ATOM 528 C ASP A 31 -15.643 -0.528 -6.998 1.00 0.00 C ATOM 529 O ASP A 31 -16.407 0.225 -6.391 1.00 0.00 O ATOM 530 CB ASP A 31 -17.260 -0.978 -8.853 1.00 0.00 C ATOM 531 CG ASP A 31 -17.664 -1.907 -9.981 1.00 0.00 C ATOM 532 OD1 ASP A 31 -18.143 -3.023 -9.688 1.00 0.00 O ATOM 533 OD2 ASP A 31 -17.501 -1.519 -11.157 1.00 0.00 O ATOM 0 H ASP A 31 -17.599 -2.526 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.365 -1.949 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.138 -0.735 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.890 -0.042 -9.272 1.00 0.00 H new ATOM 538 N ILE A 32 -14.322 -0.476 -6.869 1.00 0.00 N ATOM 539 CA ILE A 32 -13.678 0.492 -5.990 1.00 0.00 C ATOM 540 C ILE A 32 -13.980 1.920 -6.429 1.00 0.00 C ATOM 541 O ILE A 32 -13.547 2.359 -7.495 1.00 0.00 O ATOM 542 CB ILE A 32 -12.151 0.290 -5.953 1.00 0.00 C ATOM 543 CG1 ILE A 32 -11.815 -1.165 -5.619 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.517 1.232 -4.940 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.394 -1.551 -5.964 1.00 0.00 C ATOM 0 H ILE A 32 -13.676 -1.093 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.082 0.329 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.745 0.520 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.980 -1.333 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.501 -1.820 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.438 1.078 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.732 2.264 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.926 1.030 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.226 -2.595 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.230 -1.416 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.700 -0.921 -5.408 1.00 0.00 H new ATOM 557 N THR A 33 -14.726 2.644 -5.599 1.00 0.00 N ATOM 558 CA THR A 33 -15.086 4.023 -5.901 1.00 0.00 C ATOM 559 C THR A 33 -13.917 4.966 -5.639 1.00 0.00 C ATOM 560 O THR A 33 -13.697 5.919 -6.387 1.00 0.00 O ATOM 561 CB THR A 33 -16.298 4.483 -5.068 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.011 4.349 -3.672 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.534 3.668 -5.418 1.00 0.00 C ATOM 0 H THR A 33 -15.092 2.297 -4.712 1.00 0.00 H new ATOM 0 HA THR A 33 -15.347 4.057 -6.959 1.00 0.00 H new ATOM 0 HB THR A 33 -16.495 5.530 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.777 5.225 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.377 4.010 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.766 3.795 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.346 2.614 -5.212 1.00 0.00 H new ATOM 571 N ASP A 34 -13.171 4.695 -4.574 1.00 0.00 N ATOM 572 CA ASP A 34 -12.023 5.519 -4.215 1.00 0.00 C ATOM 573 C ASP A 34 -11.203 4.857 -3.111 1.00 0.00 C ATOM 574 O ASP A 34 -11.748 4.166 -2.250 1.00 0.00 O ATOM 575 CB ASP A 34 -12.484 6.905 -3.764 1.00 0.00 C ATOM 576 CG ASP A 34 -11.386 7.945 -3.874 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.319 7.748 -3.257 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.595 8.957 -4.576 1.00 0.00 O ATOM 0 H ASP A 34 -13.341 3.911 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.392 5.624 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.336 7.216 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.828 6.852 -2.731 1.00 0.00 H new ATOM 583 N ILE A 35 -9.893 5.074 -3.143 1.00 0.00 N ATOM 584 CA ILE A 35 -8.999 4.499 -2.145 1.00 0.00 C ATOM 585 C ILE A 35 -8.237 5.588 -1.398 1.00 0.00 C ATOM 586 O ILE A 35 -7.811 6.578 -1.990 1.00 0.00 O ATOM 587 CB ILE A 35 -7.990 3.529 -2.786 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.724 2.401 -3.514 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.054 2.962 -1.729 1.00 0.00 C ATOM 590 CD1 ILE A 35 -7.861 1.664 -4.514 1.00 0.00 C ATOM 0 H ILE A 35 -9.427 5.644 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.623 3.948 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.394 4.079 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.101 1.690 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.590 2.816 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.347 2.278 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.509 3.776 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.635 2.425 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.447 0.879 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.505 2.362 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.008 1.219 -4.001 1.00 0.00 H new ATOM 602 N GLN A 36 -8.067 5.394 -0.094 1.00 0.00 N ATOM 603 CA GLN A 36 -7.355 6.360 0.735 1.00 0.00 C ATOM 604 C GLN A 36 -6.067 5.758 1.287 1.00 0.00 C ATOM 605 O GLN A 36 -6.085 4.698 1.914 1.00 0.00 O ATOM 606 CB GLN A 36 -8.246 6.832 1.885 1.00 0.00 C ATOM 607 CG GLN A 36 -9.519 7.522 1.425 1.00 0.00 C ATOM 608 CD GLN A 36 -10.447 6.592 0.669 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.609 6.840 -0.626 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -11.011 5.659 1.241 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.412 4.578 0.411 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.096 7.216 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.511 5.975 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.679 7.517 2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.042 7.925 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.259 8.367 0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.858 5.505 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.631 5.040 0.718 1.00 0.00 H new ATOM 619 N ILE A 37 -4.952 6.440 1.050 1.00 0.00 N ATOM 620 CA ILE A 37 -3.655 5.972 1.525 1.00 0.00 C ATOM 621 C ILE A 37 -2.973 7.027 2.390 1.00 0.00 C ATOM 622 O ILE A 37 -2.627 8.114 1.928 1.00 0.00 O ATOM 623 CB ILE A 37 -2.726 5.605 0.353 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.401 4.578 -0.559 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.402 5.068 0.876 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.438 3.183 0.024 1.00 0.00 C ATOM 0 H ILE A 37 -4.920 7.318 0.532 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.841 5.080 2.124 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.527 6.504 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.420 4.903 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.875 4.550 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.756 4.813 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.918 5.828 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.583 4.178 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.930 2.509 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.420 2.838 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.990 3.196 0.964 1.00 0.00 H new ATOM 638 N PRO A 38 -2.773 6.699 3.675 1.00 0.00 N ATOM 639 CA PRO A 38 -2.128 7.604 4.631 1.00 0.00 C ATOM 640 C PRO A 38 -0.641 7.787 4.344 1.00 0.00 C ATOM 641 O PRO A 38 0.156 6.868 4.537 1.00 0.00 O ATOM 642 CB PRO A 38 -2.330 6.902 5.976 1.00 0.00 C ATOM 643 CG PRO A 38 -2.476 5.460 5.632 1.00 0.00 C ATOM 644 CD PRO A 38 -3.160 5.420 4.293 1.00 0.00 C ATOM 0 HA PRO A 38 -2.551 8.608 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.481 7.067 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.215 7.278 6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.504 4.969 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.064 4.937 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.829 4.569 3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.242 5.335 4.397 1.00 0.00 H new ATOM 652 N LEU A 39 -0.275 8.977 3.882 1.00 0.00 N ATOM 653 CA LEU A 39 1.117 9.281 3.569 1.00 0.00 C ATOM 654 C LEU A 39 1.540 10.606 4.196 1.00 0.00 C ATOM 655 O LEU A 39 0.705 11.467 4.475 1.00 0.00 O ATOM 656 CB LEU A 39 1.320 9.333 2.054 1.00 0.00 C ATOM 657 CG LEU A 39 0.955 8.063 1.284 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.147 8.271 -0.210 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.788 6.886 1.772 1.00 0.00 C ATOM 0 H LEU A 39 -0.923 9.747 3.716 1.00 0.00 H new ATOM 0 HA LEU A 39 1.738 8.488 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.728 10.158 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.366 9.566 1.855 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.096 7.839 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.882 7.357 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.507 9.086 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.189 8.519 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.515 5.991 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.846 7.101 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.600 6.723 2.833 1.00 0.00 H new ATOM 671 N ASP A 40 2.841 10.764 4.412 1.00 0.00 N ATOM 672 CA ASP A 40 3.375 11.985 5.003 1.00 0.00 C ATOM 673 C ASP A 40 3.538 13.073 3.946 1.00 0.00 C ATOM 674 O ASP A 40 3.143 12.898 2.793 1.00 0.00 O ATOM 675 CB ASP A 40 4.720 11.706 5.676 1.00 0.00 C ATOM 676 CG ASP A 40 5.010 12.668 6.812 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.093 12.925 7.619 1.00 0.00 O ATOM 678 OD2 ASP A 40 6.153 13.164 6.892 1.00 0.00 O ATOM 0 H ASP A 40 3.545 10.062 4.187 1.00 0.00 H new ATOM 0 HA ASP A 40 2.667 12.335 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.727 10.685 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.515 11.774 4.934 1.00 0.00 H new ATOM 683 N TYR A 41 4.121 14.198 4.347 1.00 0.00 N ATOM 684 CA TYR A 41 4.333 15.316 3.435 1.00 0.00 C ATOM 685 C TYR A 41 5.802 15.424 3.038 1.00 0.00 C ATOM 686 O TYR A 41 6.128 15.895 1.949 1.00 0.00 O ATOM 687 CB TYR A 41 3.871 16.623 4.082 1.00 0.00 C ATOM 688 CG TYR A 41 4.631 17.838 3.601 1.00 0.00 C ATOM 689 CD1 TYR A 41 5.973 18.012 3.916 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.007 18.813 2.833 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.671 19.121 3.480 1.00 0.00 C ATOM 692 CE2 TYR A 41 4.698 19.925 2.391 1.00 0.00 C ATOM 693 CZ TYR A 41 6.029 20.075 2.718 1.00 0.00 C ATOM 694 OH TYR A 41 6.721 21.181 2.281 1.00 0.00 O ATOM 0 H TYR A 41 4.455 14.360 5.297 1.00 0.00 H new ATOM 0 HA TYR A 41 3.745 15.135 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.810 16.764 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.980 16.542 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.479 17.267 4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.964 18.700 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.714 19.241 3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.198 20.672 1.793 1.00 0.00 H new ATOM 0 HH TYR A 41 6.124 21.754 1.756 1.00 0.00 H new ATOM 704 N GLU A 42 6.684 14.983 3.930 1.00 0.00 N ATOM 705 CA GLU A 42 8.118 15.031 3.673 1.00 0.00 C ATOM 706 C GLU A 42 8.553 13.860 2.796 1.00 0.00 C ATOM 707 O GLU A 42 9.379 14.017 1.896 1.00 0.00 O ATOM 708 CB GLU A 42 8.896 15.010 4.991 1.00 0.00 C ATOM 709 CG GLU A 42 8.609 16.205 5.886 1.00 0.00 C ATOM 710 CD GLU A 42 9.250 17.481 5.378 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.236 17.705 4.149 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.766 18.257 6.209 1.00 0.00 O ATOM 0 H GLU A 42 6.430 14.589 4.836 1.00 0.00 H new ATOM 0 HA GLU A 42 8.335 15.959 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.654 14.095 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.963 14.978 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.531 16.349 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.972 15.996 6.892 1.00 0.00 H new ATOM 719 N THR A 43 7.991 12.686 3.064 1.00 0.00 N ATOM 720 CA THR A 43 8.320 11.489 2.302 1.00 0.00 C ATOM 721 C THR A 43 7.087 10.922 1.608 1.00 0.00 C ATOM 722 O THR A 43 7.182 10.351 0.522 1.00 0.00 O ATOM 723 CB THR A 43 8.934 10.400 3.202 1.00 0.00 C ATOM 724 OG1 THR A 43 7.975 9.970 4.174 1.00 0.00 O ATOM 725 CG2 THR A 43 10.179 10.919 3.906 1.00 0.00 C ATOM 0 H THR A 43 7.305 12.539 3.804 1.00 0.00 H new ATOM 0 HA THR A 43 9.053 11.785 1.551 1.00 0.00 H new ATOM 0 HB THR A 43 9.216 9.556 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.372 9.277 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.595 10.133 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.919 11.219 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.916 11.778 4.524 1.00 0.00 H new ATOM 733 N GLU A 44 5.930 11.084 2.243 1.00 0.00 N ATOM 734 CA GLU A 44 4.677 10.587 1.685 1.00 0.00 C ATOM 735 C GLU A 44 4.694 9.065 1.579 1.00 0.00 C ATOM 736 O GLU A 44 4.227 8.494 0.594 1.00 0.00 O ATOM 737 CB GLU A 44 4.428 11.202 0.306 1.00 0.00 C ATOM 738 CG GLU A 44 4.407 12.721 0.312 1.00 0.00 C ATOM 739 CD GLU A 44 4.876 13.316 -1.002 1.00 0.00 C ATOM 740 OE1 GLU A 44 4.032 13.501 -1.903 1.00 0.00 O ATOM 741 OE2 GLU A 44 6.087 13.597 -1.128 1.00 0.00 O ATOM 0 H GLU A 44 5.834 11.555 3.143 1.00 0.00 H new ATOM 0 HA GLU A 44 3.869 10.878 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.203 10.860 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.477 10.835 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.395 13.066 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.042 13.086 1.119 1.00 0.00 H new ATOM 748 N LYS A 45 5.237 8.413 2.602 1.00 0.00 N ATOM 749 CA LYS A 45 5.316 6.957 2.627 1.00 0.00 C ATOM 750 C LYS A 45 4.280 6.373 3.581 1.00 0.00 C ATOM 751 O LYS A 45 3.854 7.032 4.531 1.00 0.00 O ATOM 752 CB LYS A 45 6.719 6.509 3.043 1.00 0.00 C ATOM 753 CG LYS A 45 7.829 7.142 2.221 1.00 0.00 C ATOM 754 CD LYS A 45 8.169 6.300 1.003 1.00 0.00 C ATOM 755 CE LYS A 45 9.259 5.286 1.313 1.00 0.00 C ATOM 756 NZ LYS A 45 8.699 4.019 1.859 1.00 0.00 N ATOM 0 H LYS A 45 5.629 8.870 3.425 1.00 0.00 H new ATOM 0 HA LYS A 45 5.107 6.589 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.872 6.753 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.786 5.425 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.524 8.139 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.718 7.264 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.275 5.781 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.495 6.949 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.824 5.072 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.959 5.713 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.372 3.243 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.533 4.125 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.800 3.803 1.382 1.00 0.00 H new ATOM 770 N HIS A 46 3.879 5.131 3.325 1.00 0.00 N ATOM 771 CA HIS A 46 2.894 4.457 4.163 1.00 0.00 C ATOM 772 C HIS A 46 3.567 3.447 5.087 1.00 0.00 C ATOM 773 O HIS A 46 4.619 2.897 4.760 1.00 0.00 O ATOM 774 CB HIS A 46 1.849 3.756 3.295 1.00 0.00 C ATOM 775 CG HIS A 46 2.242 2.368 2.889 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.544 1.376 3.798 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.379 1.809 1.664 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.852 0.267 3.149 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.759 0.503 1.853 1.00 0.00 N ATOM 0 H HIS A 46 4.221 4.572 2.544 1.00 0.00 H new ATOM 0 HA HIS A 46 2.399 5.210 4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.906 3.713 3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.673 4.352 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.219 2.299 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.132 -0.673 3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.940 -0.175 1.113 1.00 0.00 H new ATOM 787 N ARG A 47 2.954 3.208 6.242 1.00 0.00 N ATOM 788 CA ARG A 47 3.496 2.265 7.213 1.00 0.00 C ATOM 789 C ARG A 47 3.137 0.831 6.837 1.00 0.00 C ATOM 790 O ARG A 47 3.963 -0.074 6.941 1.00 0.00 O ATOM 791 CB ARG A 47 2.968 2.584 8.613 1.00 0.00 C ATOM 792 CG ARG A 47 3.643 3.782 9.260 1.00 0.00 C ATOM 793 CD ARG A 47 4.878 3.370 10.046 1.00 0.00 C ATOM 794 NE ARG A 47 5.288 4.396 11.000 1.00 0.00 N ATOM 795 CZ ARG A 47 5.870 5.537 10.647 1.00 0.00 C ATOM 796 NH1 ARG A 47 6.108 5.796 9.369 1.00 0.00 N ATOM 797 NH2 ARG A 47 6.215 6.422 11.574 1.00 0.00 N ATOM 0 H ARG A 47 2.082 3.654 6.528 1.00 0.00 H new ATOM 0 HA ARG A 47 4.582 2.362 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.896 2.770 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.106 1.711 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.923 4.502 8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.939 4.283 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.675 2.441 10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.697 3.170 9.355 1.00 0.00 H new ATOM 0 HE ARG A 47 5.118 4.228 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.844 5.119 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.555 6.673 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.033 6.226 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.662 7.298 11.302 1.00 0.00 H new ATOM 811 N GLY A 48 1.897 0.631 6.400 1.00 0.00 N ATOM 812 CA GLY A 48 1.450 -0.695 6.016 1.00 0.00 C ATOM 813 C GLY A 48 -0.038 -0.891 6.231 1.00 0.00 C ATOM 814 O GLY A 48 -0.462 -1.888 6.815 1.00 0.00 O ATOM 0 H GLY A 48 1.194 1.364 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.688 -0.865 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.998 -1.441 6.592 1.00 0.00 H new ATOM 818 N PHE A 49 -0.833 0.064 5.761 1.00 0.00 N ATOM 819 CA PHE A 49 -2.282 -0.006 5.908 1.00 0.00 C ATOM 820 C PHE A 49 -2.965 1.088 5.092 1.00 0.00 C ATOM 821 O PHE A 49 -2.329 2.056 4.677 1.00 0.00 O ATOM 822 CB PHE A 49 -2.673 0.122 7.381 1.00 0.00 C ATOM 823 CG PHE A 49 -2.398 1.480 7.959 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.135 1.806 8.425 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.402 2.432 8.036 1.00 0.00 C ATOM 826 CE1 PHE A 49 -0.879 3.056 8.958 1.00 0.00 C ATOM 827 CE2 PHE A 49 -3.153 3.683 8.568 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.889 3.995 9.028 1.00 0.00 C ATOM 0 H PHE A 49 -0.498 0.896 5.275 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.614 -0.975 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.735 -0.101 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.131 -0.626 7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.341 1.076 8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.392 2.193 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.110 3.298 9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.945 4.415 8.624 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.691 4.972 9.442 1.00 0.00 H new ATOM 838 N ALA A 50 -4.264 0.925 4.866 1.00 0.00 N ATOM 839 CA ALA A 50 -5.035 1.898 4.101 1.00 0.00 C ATOM 840 C ALA A 50 -6.531 1.627 4.218 1.00 0.00 C ATOM 841 O ALA A 50 -6.952 0.702 4.912 1.00 0.00 O ATOM 842 CB ALA A 50 -4.606 1.881 2.642 1.00 0.00 C ATOM 0 H ALA A 50 -4.805 0.128 5.202 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.838 2.887 4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.190 2.612 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.547 2.131 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.773 0.888 2.225 1.00 0.00 H new ATOM 848 N PHE A 51 -7.330 2.441 3.536 1.00 0.00 N ATOM 849 CA PHE A 51 -8.780 2.290 3.565 1.00 0.00 C ATOM 850 C PHE A 51 -9.350 2.244 2.150 1.00 0.00 C ATOM 851 O PHE A 51 -9.128 3.152 1.349 1.00 0.00 O ATOM 852 CB PHE A 51 -9.418 3.440 4.346 1.00 0.00 C ATOM 853 CG PHE A 51 -8.902 3.568 5.751 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.741 4.277 6.015 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.579 2.980 6.808 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.264 4.397 7.307 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.107 3.097 8.102 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.948 3.805 8.352 1.00 0.00 C ATOM 0 H PHE A 51 -6.998 3.212 2.957 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.013 1.349 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.237 4.374 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.498 3.294 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.203 4.741 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.485 2.424 6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.358 4.953 7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.644 2.635 8.917 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.577 3.896 9.362 1.00 0.00 H new ATOM 868 N VAL A 52 -10.087 1.179 1.850 1.00 0.00 N ATOM 869 CA VAL A 52 -10.690 1.013 0.533 1.00 0.00 C ATOM 870 C VAL A 52 -12.203 1.192 0.594 1.00 0.00 C ATOM 871 O VAL A 52 -12.871 0.612 1.450 1.00 0.00 O ATOM 872 CB VAL A 52 -10.371 -0.372 -0.060 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.852 -0.460 -1.501 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.881 -0.661 0.032 1.00 0.00 C ATOM 0 H VAL A 52 -10.281 0.418 2.501 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.262 1.782 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.900 -1.127 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.618 -1.446 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.930 -0.301 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.353 0.303 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.674 -1.644 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.328 0.097 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.571 -0.644 1.077 1.00 0.00 H new ATOM 884 N GLU A 53 -12.736 1.998 -0.318 1.00 0.00 N ATOM 885 CA GLU A 53 -14.171 2.253 -0.367 1.00 0.00 C ATOM 886 C GLU A 53 -14.847 1.360 -1.402 1.00 0.00 C ATOM 887 O GLU A 53 -14.406 1.274 -2.548 1.00 0.00 O ATOM 888 CB GLU A 53 -14.439 3.724 -0.693 1.00 0.00 C ATOM 889 CG GLU A 53 -15.883 4.143 -0.472 1.00 0.00 C ATOM 890 CD GLU A 53 -16.119 5.609 -0.779 1.00 0.00 C ATOM 891 OE1 GLU A 53 -15.396 6.160 -1.635 1.00 0.00 O ATOM 892 OE2 GLU A 53 -17.027 6.205 -0.162 1.00 0.00 O ATOM 0 H GLU A 53 -12.196 2.486 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.589 2.024 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.790 4.348 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.170 3.912 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.534 3.535 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.161 3.943 0.563 1.00 0.00 H new ATOM 899 N PHE A 54 -15.922 0.695 -0.990 1.00 0.00 N ATOM 900 CA PHE A 54 -16.660 -0.193 -1.880 1.00 0.00 C ATOM 901 C PHE A 54 -17.932 0.479 -2.387 1.00 0.00 C ATOM 902 O PHE A 54 -18.484 1.361 -1.731 1.00 0.00 O ATOM 903 CB PHE A 54 -17.011 -1.496 -1.159 1.00 0.00 C ATOM 904 CG PHE A 54 -15.871 -2.472 -1.096 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.607 -2.058 -0.709 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.064 -3.805 -1.424 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.556 -2.954 -0.649 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.017 -4.705 -1.366 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.761 -4.279 -0.980 1.00 0.00 C ATOM 0 H PHE A 54 -16.301 0.755 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.024 -0.419 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.337 -1.264 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.854 -1.966 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.441 -1.023 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.043 -4.144 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.576 -2.618 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.181 -5.741 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.941 -4.981 -0.937 1.00 0.00 H new ATOM 919 N GLU A 55 -18.391 0.055 -3.561 1.00 0.00 N ATOM 920 CA GLU A 55 -19.597 0.617 -4.157 1.00 0.00 C ATOM 921 C GLU A 55 -20.814 0.352 -3.275 1.00 0.00 C ATOM 922 O GLU A 55 -21.682 1.212 -3.121 1.00 0.00 O ATOM 923 CB GLU A 55 -19.826 0.028 -5.551 1.00 0.00 C ATOM 924 CG GLU A 55 -20.999 0.650 -6.289 1.00 0.00 C ATOM 925 CD GLU A 55 -21.654 -0.313 -7.260 1.00 0.00 C ATOM 926 OE1 GLU A 55 -22.486 -1.131 -6.814 1.00 0.00 O ATOM 927 OE2 GLU A 55 -21.336 -0.249 -8.465 1.00 0.00 O ATOM 0 H GLU A 55 -17.946 -0.675 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.460 1.695 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.922 0.161 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.993 -1.045 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.740 0.990 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.656 1.531 -6.832 1.00 0.00 H new ATOM 934 N LEU A 56 -20.870 -0.843 -2.699 1.00 0.00 N ATOM 935 CA LEU A 56 -21.981 -1.223 -1.832 1.00 0.00 C ATOM 936 C LEU A 56 -21.472 -1.772 -0.504 1.00 0.00 C ATOM 937 O LEU A 56 -20.289 -2.079 -0.360 1.00 0.00 O ATOM 938 CB LEU A 56 -22.860 -2.266 -2.525 1.00 0.00 C ATOM 939 CG LEU A 56 -23.452 -1.856 -3.873 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.966 -3.075 -4.623 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.566 -0.838 -3.680 1.00 0.00 C ATOM 0 H LEU A 56 -20.160 -1.566 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.575 -0.331 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.270 -3.171 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.680 -2.524 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.664 -1.394 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.384 -2.764 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.144 -3.770 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.739 -3.566 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.975 -0.558 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.354 -1.273 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.168 0.048 -3.185 1.00 0.00 H new ATOM 953 N ALA A 57 -22.373 -1.894 0.465 1.00 0.00 N ATOM 954 CA ALA A 57 -22.016 -2.409 1.781 1.00 0.00 C ATOM 955 C ALA A 57 -21.845 -3.924 1.748 1.00 0.00 C ATOM 956 O ALA A 57 -20.824 -4.451 2.189 1.00 0.00 O ATOM 957 CB ALA A 57 -23.071 -2.017 2.805 1.00 0.00 C ATOM 0 H ALA A 57 -23.356 -1.643 0.363 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.063 -1.968 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.792 -2.408 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.143 -0.931 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.035 -2.431 2.511 1.00 0.00 H new ATOM 963 N GLU A 58 -22.851 -4.618 1.225 1.00 0.00 N ATOM 964 CA GLU A 58 -22.810 -6.073 1.138 1.00 0.00 C ATOM 965 C GLU A 58 -21.470 -6.548 0.582 1.00 0.00 C ATOM 966 O GLU A 58 -20.809 -7.402 1.173 1.00 0.00 O ATOM 967 CB GLU A 58 -23.951 -6.585 0.256 1.00 0.00 C ATOM 968 CG GLU A 58 -23.952 -5.992 -1.143 1.00 0.00 C ATOM 969 CD GLU A 58 -25.232 -6.286 -1.900 1.00 0.00 C ATOM 970 OE1 GLU A 58 -25.384 -7.423 -2.392 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.084 -5.377 -2.000 1.00 0.00 O ATOM 0 H GLU A 58 -23.703 -4.197 0.856 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.929 -6.475 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.882 -7.670 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.902 -6.358 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.813 -4.913 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.104 -6.388 -1.702 1.00 0.00 H new ATOM 978 N ASP A 59 -21.078 -5.989 -0.557 1.00 0.00 N ATOM 979 CA ASP A 59 -19.818 -6.353 -1.194 1.00 0.00 C ATOM 980 C ASP A 59 -18.651 -6.187 -0.224 1.00 0.00 C ATOM 981 O ASP A 59 -17.736 -7.009 -0.193 1.00 0.00 O ATOM 982 CB ASP A 59 -19.586 -5.499 -2.441 1.00 0.00 C ATOM 983 CG ASP A 59 -20.360 -6.006 -3.642 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.516 -5.574 -3.827 1.00 0.00 O ATOM 985 OD2 ASP A 59 -19.810 -6.837 -4.396 1.00 0.00 O ATOM 0 H ASP A 59 -21.615 -5.282 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.877 -7.401 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.878 -4.470 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.522 -5.487 -2.677 1.00 0.00 H new ATOM 990 N ALA A 60 -18.691 -5.118 0.564 1.00 0.00 N ATOM 991 CA ALA A 60 -17.639 -4.844 1.534 1.00 0.00 C ATOM 992 C ALA A 60 -17.519 -5.977 2.548 1.00 0.00 C ATOM 993 O ALA A 60 -16.437 -6.528 2.751 1.00 0.00 O ATOM 994 CB ALA A 60 -17.905 -3.525 2.244 1.00 0.00 C ATOM 0 H ALA A 60 -19.441 -4.427 0.549 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.694 -4.770 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.111 -3.334 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.933 -2.717 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.862 -3.578 2.763 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.636 -6.320 3.181 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.655 -7.388 4.172 1.00 0.00 C ATOM 1002 C ALA A 61 -18.031 -8.664 3.616 1.00 0.00 C ATOM 1003 O ALA A 61 -17.246 -9.327 4.293 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.080 -7.654 4.634 1.00 0.00 C ATOM 0 H ALA A 61 -19.540 -5.873 3.025 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.061 -7.067 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.079 -8.454 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.493 -6.749 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.690 -7.950 3.780 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.385 -9.001 2.381 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.859 -10.197 1.734 1.00 0.00 C ATOM 1012 C ALA A 62 -16.340 -10.130 1.610 1.00 0.00 C ATOM 1013 O ALA A 62 -15.643 -11.109 1.875 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.495 -10.380 0.364 1.00 0.00 C ATOM 0 H ALA A 62 -19.034 -8.463 1.808 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.110 -11.057 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.093 -11.277 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.575 -10.481 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.274 -9.513 -0.258 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.835 -8.969 1.205 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.399 -8.775 1.048 1.00 0.00 C ATOM 1022 C ALA A 63 -13.664 -9.017 2.362 1.00 0.00 C ATOM 1023 O ALA A 63 -12.582 -9.604 2.380 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.110 -7.374 0.529 1.00 0.00 C ATOM 0 H ALA A 63 -16.399 -8.149 0.980 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.037 -9.502 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.034 -7.243 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.595 -7.237 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.493 -6.638 1.236 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.259 -8.560 3.459 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.660 -8.728 4.778 1.00 0.00 C ATOM 1032 C ILE A 64 -13.579 -10.202 5.161 1.00 0.00 C ATOM 1033 O ILE A 64 -12.500 -10.721 5.446 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.456 -7.972 5.857 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.472 -6.472 5.554 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.862 -8.233 7.233 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.450 -5.693 6.405 1.00 0.00 C ATOM 0 H ILE A 64 -15.154 -8.071 3.461 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.653 -8.314 4.723 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.484 -8.336 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.471 -6.069 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.720 -6.325 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.435 -7.692 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.898 -9.301 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.826 -7.894 7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.407 -4.638 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.459 -6.070 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.190 -5.809 7.457 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.727 -10.871 5.164 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.786 -12.286 5.509 1.00 0.00 C ATOM 1051 C ASP A 65 -13.691 -13.068 4.789 1.00 0.00 C ATOM 1052 O ASP A 65 -13.207 -14.081 5.289 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.157 -12.863 5.156 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.182 -12.631 6.249 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -17.227 -13.438 7.200 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.940 -11.643 6.153 1.00 0.00 O ATOM 0 H ASP A 65 -15.629 -10.456 4.931 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.627 -12.379 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.510 -12.411 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.061 -13.933 4.973 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.307 -12.588 3.610 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.271 -13.243 2.820 1.00 0.00 C ATOM 1063 C ASN A 66 -10.902 -12.630 3.103 1.00 0.00 C ATOM 1064 O ASN A 66 -10.076 -13.226 3.794 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.592 -13.133 1.328 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.698 -14.079 0.903 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.437 -15.156 0.367 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -14.942 -13.680 1.142 1.00 0.00 N ATOM 0 H ASN A 66 -13.697 -11.749 3.181 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.244 -14.295 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.885 -12.109 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.693 -13.346 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.728 -14.275 0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.112 -12.779 1.589 1.00 0.00 H new ATOM 1075 N MET A 67 -10.671 -11.437 2.566 1.00 0.00 N ATOM 1076 CA MET A 67 -9.404 -10.743 2.763 1.00 0.00 C ATOM 1077 C MET A 67 -8.925 -10.885 4.204 1.00 0.00 C ATOM 1078 O MET A 67 -7.724 -10.868 4.473 1.00 0.00 O ATOM 1079 CB MET A 67 -9.547 -9.263 2.404 1.00 0.00 C ATOM 1080 CG MET A 67 -9.948 -9.025 0.957 1.00 0.00 C ATOM 1081 SD MET A 67 -9.000 -10.030 -0.201 1.00 0.00 S ATOM 1082 CE MET A 67 -7.368 -9.318 -0.011 1.00 0.00 C ATOM 0 H MET A 67 -11.344 -10.931 1.991 1.00 0.00 H new ATOM 0 HA MET A 67 -8.663 -11.198 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.291 -8.809 3.058 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.601 -8.757 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.009 -9.244 0.838 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.810 -7.971 0.715 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.044 -8.892 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.399 -8.535 0.747 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.666 -10.093 0.297 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.871 -11.023 5.127 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.545 -11.167 6.541 1.00 0.00 C ATOM 1094 C ASN A 68 -8.519 -12.276 6.753 1.00 0.00 C ATOM 1095 O ASN A 68 -8.820 -13.455 6.574 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.809 -11.465 7.350 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.501 -12.121 8.682 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.949 -13.234 8.957 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -9.733 -11.431 9.518 1.00 0.00 N ATOM 0 H ASN A 68 -10.870 -11.038 4.921 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.114 -10.227 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.354 -10.537 7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.463 -12.116 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.493 -11.821 10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.383 -10.511 9.248 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.306 -11.887 7.135 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.236 -12.849 7.371 1.00 0.00 C ATOM 1108 C GLU A 69 -5.916 -13.630 6.099 1.00 0.00 C ATOM 1109 O GLU A 69 -5.672 -14.836 6.143 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.625 -13.815 8.491 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.794 -13.143 9.843 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.509 -14.024 10.848 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -6.825 -14.795 11.554 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -8.753 -13.944 10.929 1.00 0.00 O ATOM 0 H GLU A 69 -7.040 -10.914 7.287 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.346 -12.296 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.557 -14.312 8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.862 -14.590 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.813 -12.873 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.353 -12.216 9.716 1.00 0.00 H new ATOM 1121 N SER A 70 -5.920 -12.934 4.967 1.00 0.00 N ATOM 1122 CA SER A 70 -5.635 -13.561 3.682 1.00 0.00 C ATOM 1123 C SER A 70 -4.133 -13.608 3.421 1.00 0.00 C ATOM 1124 O SER A 70 -3.333 -13.215 4.270 1.00 0.00 O ATOM 1125 CB SER A 70 -6.337 -12.803 2.554 1.00 0.00 C ATOM 1126 OG SER A 70 -5.823 -11.489 2.425 1.00 0.00 O ATOM 0 H SER A 70 -6.118 -11.935 4.914 1.00 0.00 H new ATOM 0 HA SER A 70 -6.012 -14.583 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.208 -13.341 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.408 -12.760 2.752 1.00 0.00 H new ATOM 0 HG SER A 70 -6.287 -10.893 3.050 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.758 -14.091 2.241 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.352 -14.190 1.868 1.00 0.00 C ATOM 1134 C GLU A 71 -2.038 -13.282 0.683 1.00 0.00 C ATOM 1135 O GLU A 71 -2.392 -13.585 -0.457 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.993 -15.637 1.525 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.503 -15.866 1.334 1.00 0.00 C ATOM 1138 CD GLU A 71 -0.128 -17.335 1.368 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.370 -17.984 2.407 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.406 -17.835 0.356 1.00 0.00 O ATOM 0 H GLU A 71 -4.408 -14.420 1.527 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.753 -13.867 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.353 -16.290 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.516 -15.926 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.193 -15.438 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.045 -15.337 2.114 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.372 -12.166 0.960 1.00 0.00 N ATOM 1148 CA LEU A 72 -1.010 -11.212 -0.083 1.00 0.00 C ATOM 1149 C LEU A 72 0.477 -10.878 -0.022 1.00 0.00 C ATOM 1150 O LEU A 72 1.007 -10.546 1.038 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.838 -9.934 0.059 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.580 -8.849 -0.987 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.142 -9.265 -2.338 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.184 -7.525 -0.542 1.00 0.00 C ATOM 0 H LEU A 72 -1.072 -11.900 1.898 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.221 -11.669 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.894 -10.203 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.651 -9.511 1.046 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.503 -8.719 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.949 -8.480 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.664 -10.189 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.217 -9.424 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.991 -6.764 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.260 -7.642 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.735 -7.219 0.403 1.00 0.00 H new ATOM 1166 N PHE A 73 1.145 -10.966 -1.168 1.00 0.00 N ATOM 1167 CA PHE A 73 2.571 -10.671 -1.246 1.00 0.00 C ATOM 1168 C PHE A 73 3.375 -11.646 -0.390 1.00 0.00 C ATOM 1169 O PHE A 73 4.411 -11.289 0.169 1.00 0.00 O ATOM 1170 CB PHE A 73 2.842 -9.235 -0.795 1.00 0.00 C ATOM 1171 CG PHE A 73 2.751 -8.229 -1.907 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.686 -8.252 -2.793 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.729 -7.262 -2.067 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.598 -7.329 -3.817 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.647 -6.335 -3.089 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.580 -6.369 -3.966 1.00 0.00 C ATOM 0 H PHE A 73 0.722 -11.239 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 73 2.884 -10.783 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.130 -8.967 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.836 -9.184 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.915 -9.001 -2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.566 -7.232 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.762 -7.358 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.416 -5.585 -3.202 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.514 -5.647 -4.766 1.00 0.00 H new ATOM 1186 N GLY A 74 2.889 -12.879 -0.293 1.00 0.00 N ATOM 1187 CA GLY A 74 3.573 -13.887 0.497 1.00 0.00 C ATOM 1188 C GLY A 74 3.505 -13.602 1.984 1.00 0.00 C ATOM 1189 O GLY A 74 4.325 -14.100 2.756 1.00 0.00 O ATOM 0 H GLY A 74 2.034 -13.199 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.131 -14.863 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.617 -13.940 0.188 1.00 0.00 H new ATOM 1193 N ARG A 75 2.526 -12.799 2.387 1.00 0.00 N ATOM 1194 CA ARG A 75 2.356 -12.447 3.792 1.00 0.00 C ATOM 1195 C ARG A 75 0.879 -12.433 4.174 1.00 0.00 C ATOM 1196 O ARG A 75 0.003 -12.566 3.318 1.00 0.00 O ATOM 1197 CB ARG A 75 2.981 -11.080 4.076 1.00 0.00 C ATOM 1198 CG ARG A 75 2.302 -9.935 3.342 1.00 0.00 C ATOM 1199 CD ARG A 75 2.415 -8.631 4.115 1.00 0.00 C ATOM 1200 NE ARG A 75 3.777 -8.390 4.584 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.766 -7.988 3.794 1.00 0.00 C ATOM 1202 NH1 ARG A 75 4.546 -7.782 2.502 1.00 0.00 N ATOM 1203 NH2 ARG A 75 5.979 -7.790 4.295 1.00 0.00 N ATOM 0 H ARG A 75 1.838 -12.380 1.761 1.00 0.00 H new ATOM 0 HA ARG A 75 2.862 -13.202 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.941 -10.887 5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.034 -11.106 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.753 -9.815 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.251 -10.175 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.099 -7.804 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.737 -8.655 4.968 1.00 0.00 H new ATOM 0 HE ARG A 75 3.980 -8.539 5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.615 -7.932 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.308 -7.473 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.153 -7.947 5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.738 -7.481 3.687 1.00 0.00 H new ATOM 1217 N THR A 76 0.608 -12.271 5.465 1.00 0.00 N ATOM 1218 CA THR A 76 -0.762 -12.241 5.962 1.00 0.00 C ATOM 1219 C THR A 76 -1.180 -10.824 6.335 1.00 0.00 C ATOM 1220 O THR A 76 -0.461 -10.122 7.047 1.00 0.00 O ATOM 1221 CB THR A 76 -0.935 -13.156 7.189 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.392 -14.453 6.914 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.403 -13.285 7.565 1.00 0.00 C ATOM 0 H THR A 76 1.320 -12.158 6.186 1.00 0.00 H new ATOM 0 HA THR A 76 -1.399 -12.604 5.155 1.00 0.00 H new ATOM 0 HB THR A 76 -0.400 -12.709 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.504 -15.028 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.500 -13.936 8.434 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.806 -12.300 7.802 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.957 -13.712 6.729 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.347 -10.410 5.853 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.861 -9.076 6.139 1.00 0.00 C ATOM 1233 C ILE A 77 -4.114 -9.145 7.005 1.00 0.00 C ATOM 1234 O ILE A 77 -4.772 -10.182 7.082 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.187 -8.309 4.844 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.223 -9.075 4.018 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.921 -8.078 4.032 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.807 -8.267 2.881 1.00 0.00 C ATOM 0 H ILE A 77 -2.954 -10.979 5.263 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.077 -8.544 6.679 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.607 -7.339 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.760 -9.975 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.030 -9.400 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.168 -7.535 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.212 -7.495 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.475 -9.038 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.533 -8.873 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.300 -7.381 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.009 -7.964 2.203 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.440 -8.032 7.654 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.615 -7.964 8.515 1.00 0.00 C ATOM 1252 C ARG A 78 -6.655 -7.008 7.940 1.00 0.00 C ATOM 1253 O ARG A 78 -6.360 -5.846 7.662 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.217 -7.517 9.922 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.346 -8.522 10.658 1.00 0.00 C ATOM 1256 CD ARG A 78 -4.335 -8.259 12.156 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.451 -7.152 12.511 1.00 0.00 N ATOM 1258 CZ ARG A 78 -3.040 -6.909 13.751 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -3.431 -7.691 14.748 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -2.235 -5.883 13.995 1.00 0.00 N ATOM 0 H ARG A 78 -3.907 -7.164 7.600 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.054 -8.960 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.685 -6.568 9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.120 -7.336 10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.712 -9.531 10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.328 -8.474 10.272 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.348 -8.036 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.016 -9.160 12.680 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.132 -6.532 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.049 -8.481 14.564 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.114 -7.502 15.699 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.931 -5.280 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.920 -5.697 14.947 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.875 -7.506 7.763 1.00 0.00 N ATOM 1275 CA VAL A 79 -8.960 -6.696 7.222 1.00 0.00 C ATOM 1276 C VAL A 79 -10.127 -6.617 8.200 1.00 0.00 C ATOM 1277 O VAL A 79 -10.441 -7.588 8.887 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.466 -7.259 5.881 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.535 -6.353 5.290 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.310 -7.438 4.909 1.00 0.00 C ATOM 0 H VAL A 79 -8.136 -8.466 7.986 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.558 -5.696 7.059 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.913 -8.236 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.880 -6.767 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.374 -6.281 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.118 -5.360 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.685 -7.837 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.832 -6.475 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.583 -8.131 5.332 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.767 -5.453 8.257 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.901 -5.247 9.151 1.00 0.00 C ATOM 1292 C ASN A 80 -12.542 -3.884 8.910 1.00 0.00 C ATOM 1293 O ASN A 80 -11.955 -3.014 8.266 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.454 -5.362 10.610 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.615 -5.265 11.580 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -13.575 -6.031 11.495 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.532 -4.320 12.509 1.00 0.00 N ATOM 0 H ASN A 80 -10.520 -4.639 7.695 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.642 -6.019 8.943 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.941 -6.312 10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.734 -4.574 10.830 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.283 -4.207 13.190 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.717 -3.707 12.542 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.750 -3.705 9.433 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.473 -2.447 9.276 1.00 0.00 C ATOM 1306 C LEU A 81 -13.635 -1.272 9.770 1.00 0.00 C ATOM 1307 O LEU A 81 -12.997 -1.350 10.820 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.798 -2.499 10.037 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.906 -3.339 9.401 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -18.207 -3.178 10.171 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.096 -2.952 7.941 1.00 0.00 C ATOM 0 H LEU A 81 -14.250 -4.414 9.969 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.676 -2.303 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.604 -2.887 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.166 -1.480 10.156 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.611 -4.387 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.984 -3.783 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -18.063 -3.505 11.201 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.508 -2.130 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.888 -3.560 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.369 -1.899 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.167 -3.120 7.396 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.642 -0.184 9.007 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.886 1.008 9.370 1.00 0.00 C ATOM 1325 C ALA A 82 -12.973 1.278 10.869 1.00 0.00 C ATOM 1326 O ALA A 82 -14.063 1.408 11.425 1.00 0.00 O ATOM 1327 CB ALA A 82 -13.389 2.211 8.586 1.00 0.00 C ATOM 0 H ALA A 82 -14.163 -0.104 8.134 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.840 0.835 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.815 3.094 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.270 2.025 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.443 2.376 8.810 1.00 0.00 H new ATOM 1333 N LYS A 83 -11.816 1.361 11.518 1.00 0.00 N ATOM 1334 CA LYS A 83 -11.760 1.616 12.952 1.00 0.00 C ATOM 1335 C LYS A 83 -11.511 3.094 13.233 1.00 0.00 C ATOM 1336 O LYS A 83 -10.842 3.792 12.469 1.00 0.00 O ATOM 1337 CB LYS A 83 -10.659 0.771 13.598 1.00 0.00 C ATOM 1338 CG LYS A 83 -9.264 1.338 13.403 1.00 0.00 C ATOM 1339 CD LYS A 83 -8.197 0.384 13.915 1.00 0.00 C ATOM 1340 CE LYS A 83 -6.907 1.117 14.248 1.00 0.00 C ATOM 1341 NZ LYS A 83 -6.074 1.353 13.036 1.00 0.00 N ATOM 0 H LYS A 83 -10.904 1.255 11.073 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.722 1.340 13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.860 0.682 14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.694 -0.236 13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.096 1.538 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.182 2.291 13.925 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.564 -0.131 14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.999 -0.380 13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.143 2.072 14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.337 0.537 14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.096 1.053 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.458 0.806 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.086 2.365 12.798 1.00 0.00 H new ATOM 1355 N PRO A 84 -12.059 3.585 14.354 1.00 0.00 N ATOM 1356 CA PRO A 84 -11.909 4.985 14.761 1.00 0.00 C ATOM 1357 C PRO A 84 -10.485 5.311 15.198 1.00 0.00 C ATOM 1358 O PRO A 84 -10.027 4.855 16.245 1.00 0.00 O ATOM 1359 CB PRO A 84 -12.874 5.116 15.942 1.00 0.00 C ATOM 1360 CG PRO A 84 -12.993 3.736 16.489 1.00 0.00 C ATOM 1361 CD PRO A 84 -12.868 2.811 15.310 1.00 0.00 C ATOM 0 HA PRO A 84 -12.120 5.673 13.942 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -12.490 5.807 16.692 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.843 5.500 15.621 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.213 3.539 17.224 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.949 3.597 16.994 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.381 1.875 15.583 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.843 2.554 14.896 1.00 0.00 H new ATOM 1369 N MET A 85 -9.789 6.104 14.389 1.00 0.00 N ATOM 1370 CA MET A 85 -8.417 6.493 14.694 1.00 0.00 C ATOM 1371 C MET A 85 -8.248 6.764 16.186 1.00 0.00 C ATOM 1372 O MET A 85 -9.140 7.316 16.831 1.00 0.00 O ATOM 1373 CB MET A 85 -8.026 7.734 13.891 1.00 0.00 C ATOM 1374 CG MET A 85 -6.542 7.806 13.568 1.00 0.00 C ATOM 1375 SD MET A 85 -5.548 8.323 14.981 1.00 0.00 S ATOM 1376 CE MET A 85 -4.344 6.999 15.051 1.00 0.00 C ATOM 0 H MET A 85 -10.153 6.490 13.518 1.00 0.00 H new ATOM 0 HA MET A 85 -7.761 5.668 14.416 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.593 7.748 12.960 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.311 8.624 14.452 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.201 6.829 13.227 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.387 8.503 12.745 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.342 7.422 15.124 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.539 6.375 15.923 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.417 6.393 14.148 1.00 0.00 H new ATOM 1386 N ARG A 86 -7.099 6.373 16.727 1.00 0.00 N ATOM 1387 CA ARG A 86 -6.814 6.573 18.143 1.00 0.00 C ATOM 1388 C ARG A 86 -5.804 7.700 18.340 1.00 0.00 C ATOM 1389 O ARG A 86 -4.804 7.782 17.626 1.00 0.00 O ATOM 1390 CB ARG A 86 -6.282 5.281 18.765 1.00 0.00 C ATOM 1391 CG ARG A 86 -6.258 5.302 20.285 1.00 0.00 C ATOM 1392 CD ARG A 86 -5.141 4.430 20.837 1.00 0.00 C ATOM 1393 NE ARG A 86 -5.416 3.008 20.654 1.00 0.00 N ATOM 1394 CZ ARG A 86 -4.509 2.054 20.835 1.00 0.00 C ATOM 1395 NH1 ARG A 86 -3.274 2.371 21.202 1.00 0.00 N ATOM 1396 NH2 ARG A 86 -4.835 0.782 20.650 1.00 0.00 N ATOM 0 H ARG A 86 -6.350 5.916 16.206 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.743 6.851 18.640 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.898 4.446 18.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.272 5.099 18.397 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.127 6.326 20.634 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.217 4.954 20.670 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.204 4.685 20.342 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.008 4.640 21.898 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.356 2.732 20.372 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.020 3.348 21.346 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.579 1.637 21.341 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.784 0.534 20.368 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.137 0.051 20.789 1.00 0.00 H new ATOM 1410 N ILE A 87 -6.073 8.564 19.313 1.00 0.00 N ATOM 1411 CA ILE A 87 -5.187 9.685 19.604 1.00 0.00 C ATOM 1412 C ILE A 87 -4.980 9.846 21.106 1.00 0.00 C ATOM 1413 O ILE A 87 -5.528 9.086 21.905 1.00 0.00 O ATOM 1414 CB ILE A 87 -5.739 11.003 19.029 1.00 0.00 C ATOM 1415 CG1 ILE A 87 -7.133 11.286 19.593 1.00 0.00 C ATOM 1416 CG2 ILE A 87 -5.778 10.943 17.510 1.00 0.00 C ATOM 1417 CD1 ILE A 87 -8.195 10.336 19.083 1.00 0.00 C ATOM 0 H ILE A 87 -6.896 8.510 19.913 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.231 9.463 19.129 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.076 11.817 19.323 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.095 11.226 20.681 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.418 12.307 19.340 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.170 11.882 17.119 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.770 10.783 17.126 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.421 10.121 17.195 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.157 10.595 19.524 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.261 10.413 17.998 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.933 9.315 19.359 1.00 0.00 H new ATOM 1429 N LYS A 88 -4.185 10.841 21.485 1.00 0.00 N ATOM 1430 CA LYS A 88 -3.907 11.106 22.892 1.00 0.00 C ATOM 1431 C LYS A 88 -5.021 11.936 23.520 1.00 0.00 C ATOM 1432 O LYS A 88 -4.767 12.792 24.367 1.00 0.00 O ATOM 1433 CB LYS A 88 -2.569 11.833 23.040 1.00 0.00 C ATOM 1434 CG LYS A 88 -1.843 11.514 24.336 1.00 0.00 C ATOM 1435 CD LYS A 88 -0.581 12.346 24.487 1.00 0.00 C ATOM 1436 CE LYS A 88 0.617 11.663 23.844 1.00 0.00 C ATOM 1437 NZ LYS A 88 0.600 11.796 22.361 1.00 0.00 N ATOM 0 H LYS A 88 -3.721 11.478 20.837 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.854 10.150 23.412 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.927 11.569 22.199 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.741 12.908 22.985 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.506 11.700 25.181 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.587 10.455 24.359 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.732 13.324 24.030 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.380 12.516 25.545 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.537 12.096 24.237 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.621 10.607 24.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.576 11.837 22.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.113 10.977 21.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.098 12.668 22.096 1.00 0.00 H new ATOM 1451 N GLU A 89 -6.256 11.677 23.101 1.00 0.00 N ATOM 1452 CA GLU A 89 -7.408 12.401 23.624 1.00 0.00 C ATOM 1453 C GLU A 89 -8.602 11.467 23.803 1.00 0.00 C ATOM 1454 O GLU A 89 -9.007 10.774 22.871 1.00 0.00 O ATOM 1455 CB GLU A 89 -7.783 13.552 22.688 1.00 0.00 C ATOM 1456 CG GLU A 89 -8.628 14.626 23.352 1.00 0.00 C ATOM 1457 CD GLU A 89 -7.801 15.589 24.182 1.00 0.00 C ATOM 1458 OE1 GLU A 89 -7.252 15.158 25.218 1.00 0.00 O ATOM 1459 OE2 GLU A 89 -7.703 16.772 23.796 1.00 0.00 O ATOM 0 H GLU A 89 -6.484 10.971 22.401 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.137 12.808 24.598 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.871 14.007 22.301 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.327 13.151 21.833 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.168 15.183 22.586 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.376 14.153 23.989 1.00 0.00 H new ATOM 1466 N SER A 90 -9.160 11.455 25.010 1.00 0.00 N ATOM 1467 CA SER A 90 -10.304 10.604 25.314 1.00 0.00 C ATOM 1468 C SER A 90 -11.359 11.374 26.104 1.00 0.00 C ATOM 1469 O SER A 90 -11.039 12.102 27.042 1.00 0.00 O ATOM 1470 CB SER A 90 -9.856 9.374 26.105 1.00 0.00 C ATOM 1471 OG SER A 90 -10.970 8.647 26.592 1.00 0.00 O ATOM 0 H SER A 90 -8.838 12.025 25.792 1.00 0.00 H new ATOM 0 HA SER A 90 -10.745 10.280 24.371 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.248 8.731 25.469 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.227 9.684 26.940 1.00 0.00 H new ATOM 0 HG SER A 90 -10.657 7.865 27.093 1.00 0.00 H new ATOM 1477 N GLY A 91 -12.620 11.206 25.715 1.00 0.00 N ATOM 1478 CA GLY A 91 -13.703 11.891 26.396 1.00 0.00 C ATOM 1479 C GLY A 91 -13.752 11.570 27.876 1.00 0.00 C ATOM 1480 O GLY A 91 -13.549 10.429 28.293 1.00 0.00 O ATOM 0 H GLY A 91 -12.910 10.608 24.941 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.588 12.967 26.264 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.651 11.613 25.936 1.00 0.00 H new ATOM 1484 N PRO A 92 -14.025 12.593 28.699 1.00 0.00 N ATOM 1485 CA PRO A 92 -14.105 12.439 30.155 1.00 0.00 C ATOM 1486 C PRO A 92 -15.328 11.637 30.587 1.00 0.00 C ATOM 1487 O PRO A 92 -16.465 12.048 30.354 1.00 0.00 O ATOM 1488 CB PRO A 92 -14.205 13.881 30.659 1.00 0.00 C ATOM 1489 CG PRO A 92 -14.793 14.641 29.520 1.00 0.00 C ATOM 1490 CD PRO A 92 -14.278 13.979 28.272 1.00 0.00 C ATOM 0 HA PRO A 92 -13.251 11.892 30.555 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.835 13.947 31.546 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -13.226 14.273 30.933 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.882 14.615 29.554 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.497 15.690 29.556 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.008 14.023 27.464 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.370 14.459 27.908 1.00 0.00 H new ATOM 1498 N SER A 93 -15.087 10.492 31.217 1.00 0.00 N ATOM 1499 CA SER A 93 -16.170 9.631 31.678 1.00 0.00 C ATOM 1500 C SER A 93 -17.068 10.370 32.666 1.00 0.00 C ATOM 1501 O SER A 93 -16.724 11.449 33.148 1.00 0.00 O ATOM 1502 CB SER A 93 -15.603 8.369 32.332 1.00 0.00 C ATOM 1503 OG SER A 93 -14.681 8.696 33.357 1.00 0.00 O ATOM 0 H SER A 93 -14.152 10.139 31.420 1.00 0.00 H new ATOM 0 HA SER A 93 -16.768 9.346 30.813 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.416 7.774 32.747 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.111 7.755 31.578 1.00 0.00 H new ATOM 0 HG SER A 93 -14.334 7.873 33.760 1.00 0.00 H new ATOM 1509 N SER A 94 -18.221 9.780 32.963 1.00 0.00 N ATOM 1510 CA SER A 94 -19.172 10.382 33.890 1.00 0.00 C ATOM 1511 C SER A 94 -19.535 9.407 35.006 1.00 0.00 C ATOM 1512 O SER A 94 -19.939 8.274 34.748 1.00 0.00 O ATOM 1513 CB SER A 94 -20.436 10.818 33.147 1.00 0.00 C ATOM 1514 OG SER A 94 -21.228 11.677 33.948 1.00 0.00 O ATOM 0 H SER A 94 -18.519 8.885 32.575 1.00 0.00 H new ATOM 0 HA SER A 94 -18.701 11.258 34.336 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.161 11.328 32.224 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.017 9.940 32.865 1.00 0.00 H new ATOM 0 HG SER A 94 -22.029 11.943 33.450 1.00 0.00 H new ATOM 1520 N GLY A 95 -19.387 9.857 36.248 1.00 0.00 N ATOM 1521 CA GLY A 95 -19.703 9.013 37.386 1.00 0.00 C ATOM 1522 C GLY A 95 -18.473 8.634 38.186 1.00 0.00 C ATOM 1523 O GLY A 95 -18.575 8.266 39.356 1.00 0.00 O ATOM 0 H GLY A 95 -19.054 10.791 36.487 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.409 9.532 38.035 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.198 8.107 37.036 1.00 0.00 H new TER 1527 GLY A 95