USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 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 Single : A 1 MET CE :methyl -153:sc= -0.239 (180deg=-0.816) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00815) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 37:sc= 0.499 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 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 134:sc= 0.0436 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-6.7!) USER MOD Single : A 33 THR OG1 : rot 153:sc= 0.493 USER MOD Single : A 36 GLN :FLIP amide:sc= -3.13! C(o=-4.9!,f=-3.1!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -160:sc= -0.341 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-14!) USER MOD Single : A 66 ASN : amide:sc= 0.4 K(o=0.4,f=-0.27) USER MOD Single : A 67 MET CE :methyl -123:sc= -0.891 (180deg=-5.83!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -140:sc= -0.866 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.52! C(o=-1.5!,f=-1.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -146:sc= -0.058 (180deg=-0.421) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0.938 -5.098 22.517 1.00 0.00 N ATOM 2 CA GLY A -6 -0.189 -5.095 21.603 1.00 0.00 C ATOM 3 C GLY A -6 -1.479 -4.667 22.274 1.00 0.00 C ATOM 4 O GLY A -6 -1.600 -4.729 23.498 1.00 0.00 O ATOM 0 H1 GLY A -6 1.479 -5.978 22.398 1.00 0.00 H new ATOM 0 H2 GLY A -6 1.552 -4.283 22.314 1.00 0.00 H new ATOM 0 H3 GLY A -6 0.592 -5.035 23.496 1.00 0.00 H new ATOM 0 HA2 GLY A -6 0.024 -4.424 20.771 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -0.315 -6.093 21.183 1.00 0.00 H new ATOM 8 N SER A -5 -2.445 -4.230 21.472 1.00 0.00 N ATOM 9 CA SER A -5 -3.730 -3.785 21.997 1.00 0.00 C ATOM 10 C SER A -5 -4.854 -4.706 21.533 1.00 0.00 C ATOM 11 O SER A -5 -5.528 -4.431 20.541 1.00 0.00 O ATOM 12 CB SER A -5 -4.016 -2.349 21.553 1.00 0.00 C ATOM 13 OG SER A -5 -3.431 -1.414 22.442 1.00 0.00 O ATOM 0 H SER A -5 -2.362 -4.175 20.457 1.00 0.00 H new ATOM 0 HA SER A -5 -3.682 -3.819 23.085 1.00 0.00 H new ATOM 0 HB2 SER A -5 -3.627 -2.192 20.547 1.00 0.00 H new ATOM 0 HB3 SER A -5 -5.093 -2.187 21.507 1.00 0.00 H new ATOM 0 HG SER A -5 -3.627 -0.504 22.135 1.00 0.00 H new ATOM 19 N SER A -4 -5.051 -5.802 22.260 1.00 0.00 N ATOM 20 CA SER A -4 -6.090 -6.767 21.923 1.00 0.00 C ATOM 21 C SER A -4 -7.476 -6.189 22.191 1.00 0.00 C ATOM 22 O SER A -4 -7.657 -5.376 23.097 1.00 0.00 O ATOM 23 CB SER A -4 -5.899 -8.056 22.724 1.00 0.00 C ATOM 24 OG SER A -4 -5.010 -8.940 22.064 1.00 0.00 O ATOM 0 H SER A -4 -4.504 -6.043 23.086 1.00 0.00 H new ATOM 0 HA SER A -4 -6.009 -6.994 20.860 1.00 0.00 H new ATOM 0 HB2 SER A -4 -5.511 -7.818 23.715 1.00 0.00 H new ATOM 0 HB3 SER A -4 -6.863 -8.545 22.868 1.00 0.00 H new ATOM 0 HG SER A -4 -4.904 -9.755 22.597 1.00 0.00 H new ATOM 30 N GLY A -3 -8.453 -6.615 21.396 1.00 0.00 N ATOM 31 CA GLY A -3 -9.811 -6.130 21.563 1.00 0.00 C ATOM 32 C GLY A -3 -10.232 -5.192 20.449 1.00 0.00 C ATOM 33 O GLY A -3 -9.477 -4.302 20.059 1.00 0.00 O ATOM 0 H GLY A -3 -8.328 -7.287 20.639 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -10.495 -6.978 21.598 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -9.894 -5.614 22.519 1.00 0.00 H new ATOM 37 N SER A -2 -11.441 -5.392 19.935 1.00 0.00 N ATOM 38 CA SER A -2 -11.960 -4.561 18.855 1.00 0.00 C ATOM 39 C SER A -2 -13.453 -4.303 19.037 1.00 0.00 C ATOM 40 O SER A -2 -14.263 -5.228 18.996 1.00 0.00 O ATOM 41 CB SER A -2 -11.708 -5.229 17.502 1.00 0.00 C ATOM 42 OG SER A -2 -11.788 -4.288 16.446 1.00 0.00 O ATOM 0 H SER A -2 -12.080 -6.123 20.249 1.00 0.00 H new ATOM 0 HA SER A -2 -11.437 -3.605 18.883 1.00 0.00 H new ATOM 0 HB2 SER A -2 -10.724 -5.698 17.502 1.00 0.00 H new ATOM 0 HB3 SER A -2 -12.439 -6.022 17.343 1.00 0.00 H new ATOM 0 HG SER A -2 -11.622 -4.739 15.592 1.00 0.00 H new ATOM 48 N SER A -1 -13.808 -3.038 19.239 1.00 0.00 N ATOM 49 CA SER A -1 -15.202 -2.657 19.432 1.00 0.00 C ATOM 50 C SER A -1 -15.398 -1.166 19.176 1.00 0.00 C ATOM 51 O SER A -1 -14.996 -0.328 19.982 1.00 0.00 O ATOM 52 CB SER A -1 -15.657 -3.007 20.850 1.00 0.00 C ATOM 53 OG SER A -1 -14.814 -2.407 21.818 1.00 0.00 O ATOM 0 H SER A -1 -13.149 -2.260 19.273 1.00 0.00 H new ATOM 0 HA SER A -1 -15.807 -3.213 18.716 1.00 0.00 H new ATOM 0 HB2 SER A -1 -16.683 -2.672 20.999 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.653 -4.089 20.980 1.00 0.00 H new ATOM 0 HG SER A -1 -14.544 -1.517 21.510 1.00 0.00 H new ATOM 59 N GLY A 0 -16.020 -0.842 18.046 1.00 0.00 N ATOM 60 CA GLY A 0 -16.258 0.548 17.702 1.00 0.00 C ATOM 61 C GLY A 0 -17.315 0.706 16.626 1.00 0.00 C ATOM 62 O GLY A 0 -17.038 0.512 15.443 1.00 0.00 O ATOM 0 H GLY A 0 -16.363 -1.517 17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -16.568 1.092 18.594 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -15.326 0.999 17.361 1.00 0.00 H new ATOM 66 N MET A 1 -18.528 1.057 17.038 1.00 0.00 N ATOM 67 CA MET A 1 -19.630 1.240 16.100 1.00 0.00 C ATOM 68 C MET A 1 -19.157 1.959 14.840 1.00 0.00 C ATOM 69 O MET A 1 -18.204 2.737 14.879 1.00 0.00 O ATOM 70 CB MET A 1 -20.762 2.031 16.758 1.00 0.00 C ATOM 71 CG MET A 1 -20.408 3.483 17.035 1.00 0.00 C ATOM 72 SD MET A 1 -19.551 3.701 18.606 1.00 0.00 S ATOM 73 CE MET A 1 -17.900 4.099 18.038 1.00 0.00 C ATOM 0 H MET A 1 -18.773 1.220 18.014 1.00 0.00 H new ATOM 0 HA MET A 1 -20.002 0.255 15.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.641 1.996 16.114 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.035 1.547 17.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.780 3.860 16.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.319 4.081 17.036 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.173 3.800 18.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.697 3.567 17.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.823 5.173 17.866 1.00 0.00 H new ATOM 83 N ALA A 2 -19.829 1.693 13.725 1.00 0.00 N ATOM 84 CA ALA A 2 -19.479 2.316 12.455 1.00 0.00 C ATOM 85 C ALA A 2 -20.715 2.871 11.755 1.00 0.00 C ATOM 86 O ALA A 2 -21.792 2.276 11.810 1.00 0.00 O ATOM 87 CB ALA A 2 -18.765 1.317 11.556 1.00 0.00 C ATOM 0 H ALA A 2 -20.619 1.050 13.676 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.807 3.149 12.661 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.509 1.796 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.854 0.973 12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.419 0.466 11.366 1.00 0.00 H new ATOM 93 N THR A 3 -20.555 4.015 11.098 1.00 0.00 N ATOM 94 CA THR A 3 -21.658 4.651 10.390 1.00 0.00 C ATOM 95 C THR A 3 -21.849 4.039 9.007 1.00 0.00 C ATOM 96 O THR A 3 -22.975 3.788 8.577 1.00 0.00 O ATOM 97 CB THR A 3 -21.431 6.167 10.241 1.00 0.00 C ATOM 98 OG1 THR A 3 -20.224 6.413 9.511 1.00 0.00 O ATOM 99 CG2 THR A 3 -21.350 6.839 11.604 1.00 0.00 C ATOM 0 H THR A 3 -19.671 4.520 11.042 1.00 0.00 H new ATOM 0 HA THR A 3 -22.555 4.483 10.986 1.00 0.00 H new ATOM 0 HB THR A 3 -22.277 6.586 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 3 -20.088 7.379 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 3 -21.189 7.909 11.473 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.281 6.675 12.146 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.521 6.414 12.170 1.00 0.00 H new ATOM 107 N THR A 4 -20.740 3.801 8.312 1.00 0.00 N ATOM 108 CA THR A 4 -20.786 3.219 6.977 1.00 0.00 C ATOM 109 C THR A 4 -19.962 1.938 6.907 1.00 0.00 C ATOM 110 O THR A 4 -18.822 1.895 7.370 1.00 0.00 O ATOM 111 CB THR A 4 -20.267 4.207 5.915 1.00 0.00 C ATOM 112 OG1 THR A 4 -19.875 3.498 4.735 1.00 0.00 O ATOM 113 CG2 THR A 4 -19.087 5.005 6.449 1.00 0.00 C ATOM 0 H THR A 4 -19.800 4.003 8.652 1.00 0.00 H new ATOM 0 HA THR A 4 -21.831 2.988 6.769 1.00 0.00 H new ATOM 0 HB THR A 4 -21.073 4.899 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.548 4.134 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.738 5.696 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.397 5.568 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.280 4.324 6.719 1.00 0.00 H new ATOM 121 N LYS A 5 -20.546 0.896 6.326 1.00 0.00 N ATOM 122 CA LYS A 5 -19.866 -0.387 6.193 1.00 0.00 C ATOM 123 C LYS A 5 -19.328 -0.574 4.778 1.00 0.00 C ATOM 124 O LYS A 5 -19.386 -1.671 4.222 1.00 0.00 O ATOM 125 CB LYS A 5 -20.819 -1.532 6.543 1.00 0.00 C ATOM 126 CG LYS A 5 -21.015 -1.725 8.037 1.00 0.00 C ATOM 127 CD LYS A 5 -21.908 -2.919 8.333 1.00 0.00 C ATOM 128 CE LYS A 5 -22.119 -3.100 9.828 1.00 0.00 C ATOM 129 NZ LYS A 5 -23.026 -2.062 10.391 1.00 0.00 N ATOM 0 H LYS A 5 -21.490 0.915 5.939 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.025 -0.397 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -21.787 -1.342 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -20.435 -2.457 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.046 -1.866 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -21.455 -0.825 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -22.872 -2.784 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -21.461 -3.821 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -22.536 -4.089 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.157 -3.057 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -23.198 -2.260 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -22.585 -1.125 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -23.930 -2.075 9.876 1.00 0.00 H new ATOM 143 N ARG A 6 -18.804 0.503 4.202 1.00 0.00 N ATOM 144 CA ARG A 6 -18.255 0.456 2.852 1.00 0.00 C ATOM 145 C ARG A 6 -16.735 0.588 2.878 1.00 0.00 C ATOM 146 O ARG A 6 -16.025 -0.166 2.213 1.00 0.00 O ATOM 147 CB ARG A 6 -18.860 1.569 1.995 1.00 0.00 C ATOM 148 CG ARG A 6 -20.352 1.407 1.750 1.00 0.00 C ATOM 149 CD ARG A 6 -20.931 2.613 1.026 1.00 0.00 C ATOM 150 NE ARG A 6 -22.265 2.342 0.494 1.00 0.00 N ATOM 151 CZ ARG A 6 -23.365 2.333 1.239 1.00 0.00 C ATOM 152 NH1 ARG A 6 -23.291 2.577 2.540 1.00 0.00 N ATOM 153 NH2 ARG A 6 -24.542 2.078 0.682 1.00 0.00 N ATOM 0 H ARG A 6 -18.748 1.418 4.649 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.511 -0.510 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.682 2.528 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.344 1.598 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.530 0.507 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.866 1.271 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.979 3.459 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.267 2.900 0.211 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.356 2.149 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.388 2.772 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -24.137 2.569 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.602 1.889 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.386 2.071 1.254 1.00 0.00 H new ATOM 167 N VAL A 7 -16.243 1.552 3.650 1.00 0.00 N ATOM 168 CA VAL A 7 -14.808 1.783 3.763 1.00 0.00 C ATOM 169 C VAL A 7 -14.144 0.706 4.614 1.00 0.00 C ATOM 170 O VAL A 7 -14.233 0.727 5.842 1.00 0.00 O ATOM 171 CB VAL A 7 -14.509 3.164 4.376 1.00 0.00 C ATOM 172 CG1 VAL A 7 -13.008 3.398 4.459 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.184 4.263 3.570 1.00 0.00 C ATOM 0 H VAL A 7 -16.817 2.185 4.206 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.400 1.746 2.753 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.913 3.187 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.816 4.379 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.554 2.629 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.577 3.355 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.962 5.232 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.813 4.243 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.262 4.103 3.568 1.00 0.00 H new ATOM 183 N LEU A 8 -13.477 -0.233 3.953 1.00 0.00 N ATOM 184 CA LEU A 8 -12.795 -1.320 4.648 1.00 0.00 C ATOM 185 C LEU A 8 -11.370 -0.921 5.017 1.00 0.00 C ATOM 186 O LEU A 8 -10.753 -0.092 4.347 1.00 0.00 O ATOM 187 CB LEU A 8 -12.776 -2.577 3.777 1.00 0.00 C ATOM 188 CG LEU A 8 -14.131 -3.047 3.247 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.978 -4.345 2.469 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.119 -3.223 4.391 1.00 0.00 C ATOM 0 H LEU A 8 -13.393 -0.264 2.937 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.343 -1.531 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.119 -2.395 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.333 -3.388 4.355 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.520 -2.285 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.952 -4.665 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.304 -4.187 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.568 -5.115 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.078 -3.558 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.736 -3.965 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.252 -2.272 4.907 1.00 0.00 H new ATOM 202 N TYR A 9 -10.852 -1.517 6.085 1.00 0.00 N ATOM 203 CA TYR A 9 -9.499 -1.224 6.544 1.00 0.00 C ATOM 204 C TYR A 9 -8.572 -2.411 6.300 1.00 0.00 C ATOM 205 O TYR A 9 -8.916 -3.554 6.603 1.00 0.00 O ATOM 206 CB TYR A 9 -9.508 -0.866 8.031 1.00 0.00 C ATOM 207 CG TYR A 9 -8.205 -1.169 8.735 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.844 -2.476 9.039 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.334 -0.148 9.094 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.654 -2.756 9.682 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.141 -0.420 9.737 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.806 -1.725 10.029 1.00 0.00 C ATOM 213 OH TYR A 9 -4.620 -2.001 10.669 1.00 0.00 O ATOM 0 H TYR A 9 -11.349 -2.206 6.650 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.126 -0.372 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.731 0.195 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.313 -1.413 8.523 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.505 -3.286 8.768 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.593 0.875 8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.389 -3.777 9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.475 0.385 10.009 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.139 -1.165 10.842 1.00 0.00 H new ATOM 223 N VAL A 10 -7.394 -2.131 5.752 1.00 0.00 N ATOM 224 CA VAL A 10 -6.416 -3.174 5.469 1.00 0.00 C ATOM 225 C VAL A 10 -5.122 -2.938 6.240 1.00 0.00 C ATOM 226 O VAL A 10 -4.611 -1.820 6.287 1.00 0.00 O ATOM 227 CB VAL A 10 -6.097 -3.251 3.964 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.024 -4.296 3.698 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.357 -3.555 3.168 1.00 0.00 C ATOM 0 H VAL A 10 -7.094 -1.191 5.495 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.859 -4.118 5.788 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.715 -2.283 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.812 -4.336 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.115 -4.030 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.375 -5.271 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.114 -3.606 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.770 -4.510 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.091 -2.767 3.334 1.00 0.00 H new ATOM 239 N GLY A 11 -4.597 -4.000 6.844 1.00 0.00 N ATOM 240 CA GLY A 11 -3.366 -3.887 7.605 1.00 0.00 C ATOM 241 C GLY A 11 -2.371 -4.979 7.264 1.00 0.00 C ATOM 242 O GLY A 11 -2.722 -5.970 6.626 1.00 0.00 O ATOM 0 H GLY A 11 -5.002 -4.936 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.913 -2.914 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.596 -3.929 8.670 1.00 0.00 H new ATOM 246 N GLY A 12 -1.125 -4.795 7.690 1.00 0.00 N ATOM 247 CA GLY A 12 -0.095 -5.780 7.414 1.00 0.00 C ATOM 248 C GLY A 12 0.275 -5.837 5.946 1.00 0.00 C ATOM 249 O GLY A 12 0.558 -6.910 5.410 1.00 0.00 O ATOM 0 H GLY A 12 -0.811 -3.983 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.793 -5.546 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.440 -6.762 7.737 1.00 0.00 H new ATOM 253 N LEU A 13 0.271 -4.682 5.291 1.00 0.00 N ATOM 254 CA LEU A 13 0.607 -4.604 3.873 1.00 0.00 C ATOM 255 C LEU A 13 2.119 -4.583 3.672 1.00 0.00 C ATOM 256 O LEU A 13 2.883 -4.721 4.627 1.00 0.00 O ATOM 257 CB LEU A 13 -0.019 -3.357 3.248 1.00 0.00 C ATOM 258 CG LEU A 13 -1.547 -3.333 3.182 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.038 -1.993 2.659 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.061 -4.469 2.309 1.00 0.00 C ATOM 0 H LEU A 13 0.039 -3.786 5.719 1.00 0.00 H new ATOM 0 HA LEU A 13 0.206 -5.490 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.314 -2.486 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.370 -3.248 2.236 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.937 -3.471 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.127 -1.995 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.701 -1.197 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.639 -1.824 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.150 -4.436 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.662 -4.362 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.740 -5.423 2.727 1.00 0.00 H new ATOM 272 N ALA A 14 2.542 -4.408 2.425 1.00 0.00 N ATOM 273 CA ALA A 14 3.963 -4.365 2.100 1.00 0.00 C ATOM 274 C ALA A 14 4.387 -2.961 1.681 1.00 0.00 C ATOM 275 O ALA A 14 3.550 -2.122 1.352 1.00 0.00 O ATOM 276 CB ALA A 14 4.283 -5.365 0.999 1.00 0.00 C ATOM 0 H ALA A 14 1.922 -4.294 1.623 1.00 0.00 H new ATOM 0 HA ALA A 14 4.524 -4.635 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.347 -5.322 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.025 -6.370 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.707 -5.121 0.107 1.00 0.00 H new ATOM 282 N GLU A 15 5.693 -2.713 1.698 1.00 0.00 N ATOM 283 CA GLU A 15 6.228 -1.410 1.322 1.00 0.00 C ATOM 284 C GLU A 15 6.096 -1.181 -0.181 1.00 0.00 C ATOM 285 O GLU A 15 6.480 -0.131 -0.695 1.00 0.00 O ATOM 286 CB GLU A 15 7.695 -1.295 1.740 1.00 0.00 C ATOM 287 CG GLU A 15 8.622 -2.217 0.965 1.00 0.00 C ATOM 288 CD GLU A 15 10.086 -1.884 1.176 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.408 -0.685 1.317 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.910 -2.822 1.201 1.00 0.00 O ATOM 0 H GLU A 15 6.400 -3.397 1.968 1.00 0.00 H new ATOM 0 HA GLU A 15 5.650 -0.645 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.023 -0.265 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.780 -1.518 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.440 -3.248 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.388 -2.152 -0.098 1.00 0.00 H new ATOM 297 N GLU A 16 5.552 -2.173 -0.879 1.00 0.00 N ATOM 298 CA GLU A 16 5.371 -2.081 -2.323 1.00 0.00 C ATOM 299 C GLU A 16 3.889 -2.041 -2.685 1.00 0.00 C ATOM 300 O GLU A 16 3.523 -1.719 -3.815 1.00 0.00 O ATOM 301 CB GLU A 16 6.045 -3.264 -3.021 1.00 0.00 C ATOM 302 CG GLU A 16 7.493 -3.002 -3.401 1.00 0.00 C ATOM 303 CD GLU A 16 8.226 -4.265 -3.809 1.00 0.00 C ATOM 304 OE1 GLU A 16 7.709 -4.995 -4.681 1.00 0.00 O ATOM 305 OE2 GLU A 16 9.317 -4.523 -3.258 1.00 0.00 O ATOM 0 H GLU A 16 5.229 -3.049 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 16 5.836 -1.155 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.002 -4.134 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.482 -3.514 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.525 -2.286 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.009 -2.543 -2.558 1.00 0.00 H new ATOM 312 N VAL A 17 3.040 -2.370 -1.716 1.00 0.00 N ATOM 313 CA VAL A 17 1.598 -2.371 -1.931 1.00 0.00 C ATOM 314 C VAL A 17 1.022 -0.966 -1.800 1.00 0.00 C ATOM 315 O VAL A 17 1.270 -0.271 -0.814 1.00 0.00 O ATOM 316 CB VAL A 17 0.883 -3.303 -0.934 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.609 -3.011 -0.907 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.145 -4.759 -1.285 1.00 0.00 C ATOM 0 H VAL A 17 3.326 -2.639 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 17 1.429 -2.736 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 17 1.283 -3.117 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.098 -3.679 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.772 -1.977 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.028 -3.168 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.633 -5.403 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.774 -4.964 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.217 -4.955 -1.247 1.00 0.00 H new ATOM 328 N ASP A 18 0.250 -0.553 -2.799 1.00 0.00 N ATOM 329 CA ASP A 18 -0.364 0.769 -2.795 1.00 0.00 C ATOM 330 C ASP A 18 -1.807 0.700 -3.286 1.00 0.00 C ATOM 331 O ASP A 18 -2.291 -0.364 -3.671 1.00 0.00 O ATOM 332 CB ASP A 18 0.440 1.731 -3.672 1.00 0.00 C ATOM 333 CG ASP A 18 1.851 1.941 -3.158 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.746 1.163 -3.548 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.059 2.883 -2.365 1.00 0.00 O ATOM 0 H ASP A 18 0.035 -1.115 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.365 1.138 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.481 1.342 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.073 2.691 -3.718 1.00 0.00 H new ATOM 340 N ASP A 19 -2.488 1.840 -3.267 1.00 0.00 N ATOM 341 CA ASP A 19 -3.875 1.909 -3.710 1.00 0.00 C ATOM 342 C ASP A 19 -4.063 1.166 -5.029 1.00 0.00 C ATOM 343 O ASP A 19 -5.119 0.586 -5.283 1.00 0.00 O ATOM 344 CB ASP A 19 -4.312 3.367 -3.865 1.00 0.00 C ATOM 345 CG ASP A 19 -3.206 4.247 -4.415 1.00 0.00 C ATOM 346 OD1 ASP A 19 -2.670 3.920 -5.494 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.877 5.262 -3.766 1.00 0.00 O ATOM 0 H ASP A 19 -2.102 2.729 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.496 1.430 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.175 3.416 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.632 3.752 -2.897 1.00 0.00 H new ATOM 352 N LYS A 20 -3.031 1.188 -5.866 1.00 0.00 N ATOM 353 CA LYS A 20 -3.080 0.517 -7.159 1.00 0.00 C ATOM 354 C LYS A 20 -3.121 -0.998 -6.985 1.00 0.00 C ATOM 355 O LYS A 20 -4.019 -1.668 -7.495 1.00 0.00 O ATOM 356 CB LYS A 20 -1.869 0.911 -8.008 1.00 0.00 C ATOM 357 CG LYS A 20 -0.538 0.542 -7.377 1.00 0.00 C ATOM 358 CD LYS A 20 0.617 1.268 -8.047 1.00 0.00 C ATOM 359 CE LYS A 20 1.948 0.906 -7.407 1.00 0.00 C ATOM 360 NZ LYS A 20 3.093 1.557 -8.103 1.00 0.00 N ATOM 0 H LYS A 20 -2.150 1.664 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.991 0.831 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.946 0.428 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.893 1.987 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.557 0.788 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.385 -0.535 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.641 1.016 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.460 2.345 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.941 1.207 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.078 -0.176 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.982 1.286 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.115 1.250 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.982 2.590 -8.062 1.00 0.00 H new ATOM 374 N VAL A 21 -2.143 -1.532 -6.260 1.00 0.00 N ATOM 375 CA VAL A 21 -2.068 -2.967 -6.016 1.00 0.00 C ATOM 376 C VAL A 21 -3.352 -3.484 -5.376 1.00 0.00 C ATOM 377 O VAL A 21 -3.915 -4.489 -5.812 1.00 0.00 O ATOM 378 CB VAL A 21 -0.876 -3.321 -5.107 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.799 -4.824 -4.888 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.421 -2.793 -5.700 1.00 0.00 C ATOM 0 H VAL A 21 -1.391 -0.992 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.930 -3.445 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.026 -2.844 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.049 -5.055 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.718 -5.170 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.673 -5.325 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.253 -3.052 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.580 -3.239 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.361 -1.709 -5.799 1.00 0.00 H new ATOM 390 N LEU A 22 -3.811 -2.789 -4.341 1.00 0.00 N ATOM 391 CA LEU A 22 -5.030 -3.177 -3.640 1.00 0.00 C ATOM 392 C LEU A 22 -6.249 -3.029 -4.545 1.00 0.00 C ATOM 393 O LEU A 22 -7.157 -3.860 -4.523 1.00 0.00 O ATOM 394 CB LEU A 22 -5.209 -2.328 -2.380 1.00 0.00 C ATOM 395 CG LEU A 22 -4.310 -2.685 -1.196 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.442 -1.646 -0.094 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.649 -4.071 -0.669 1.00 0.00 C ATOM 0 H LEU A 22 -3.358 -1.954 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.938 -4.225 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.034 -1.284 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.247 -2.406 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.275 -2.692 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.795 -1.917 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.149 -0.669 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.477 -1.607 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.000 -4.309 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.689 -4.092 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.502 -4.807 -1.460 1.00 0.00 H new ATOM 409 N HIS A 23 -6.262 -1.965 -5.342 1.00 0.00 N ATOM 410 CA HIS A 23 -7.368 -1.709 -6.258 1.00 0.00 C ATOM 411 C HIS A 23 -7.557 -2.877 -7.221 1.00 0.00 C ATOM 412 O HIS A 23 -8.675 -3.345 -7.433 1.00 0.00 O ATOM 413 CB HIS A 23 -7.121 -0.420 -7.043 1.00 0.00 C ATOM 414 CG HIS A 23 -8.029 -0.253 -8.222 1.00 0.00 C ATOM 415 ND1 HIS A 23 -8.129 -1.186 -9.233 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.883 0.745 -8.547 1.00 0.00 C ATOM 417 CE1 HIS A 23 -9.004 -0.767 -10.130 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.476 0.402 -9.737 1.00 0.00 N ATOM 0 H HIS A 23 -5.519 -1.266 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.277 -1.597 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.246 0.432 -6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.087 -0.406 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.064 1.644 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.285 -1.291 -11.031 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.169 0.960 -10.236 1.00 0.00 H new ATOM 426 N ALA A 24 -6.456 -3.342 -7.803 1.00 0.00 N ATOM 427 CA ALA A 24 -6.501 -4.455 -8.743 1.00 0.00 C ATOM 428 C ALA A 24 -6.683 -5.782 -8.014 1.00 0.00 C ATOM 429 O ALA A 24 -7.101 -6.776 -8.608 1.00 0.00 O ATOM 430 CB ALA A 24 -5.235 -4.485 -9.587 1.00 0.00 C ATOM 0 H ALA A 24 -5.522 -2.965 -7.640 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.359 -4.309 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.282 -5.321 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.147 -3.552 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.368 -4.603 -8.938 1.00 0.00 H new ATOM 436 N ALA A 25 -6.367 -5.791 -6.723 1.00 0.00 N ATOM 437 CA ALA A 25 -6.498 -6.996 -5.913 1.00 0.00 C ATOM 438 C ALA A 25 -7.879 -7.080 -5.273 1.00 0.00 C ATOM 439 O ALA A 25 -8.285 -8.135 -4.784 1.00 0.00 O ATOM 440 CB ALA A 25 -5.416 -7.033 -4.844 1.00 0.00 C ATOM 0 H ALA A 25 -6.019 -4.978 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.377 -7.859 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.526 -7.938 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.435 -7.028 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.511 -6.159 -4.200 1.00 0.00 H new ATOM 446 N PHE A 26 -8.597 -5.962 -5.277 1.00 0.00 N ATOM 447 CA PHE A 26 -9.933 -5.909 -4.695 1.00 0.00 C ATOM 448 C PHE A 26 -10.976 -5.567 -5.756 1.00 0.00 C ATOM 449 O PHE A 26 -12.167 -5.467 -5.461 1.00 0.00 O ATOM 450 CB PHE A 26 -9.980 -4.876 -3.567 1.00 0.00 C ATOM 451 CG PHE A 26 -9.364 -5.360 -2.285 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.088 -5.900 -2.275 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.062 -5.277 -1.091 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.518 -6.346 -1.098 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.497 -5.721 0.090 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.224 -6.257 0.086 1.00 0.00 C ATOM 0 H PHE A 26 -8.276 -5.080 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.164 -6.893 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.463 -3.973 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.018 -4.600 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.532 -5.973 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.059 -4.861 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.522 -6.764 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.050 -5.649 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.781 -6.606 1.007 1.00 0.00 H new ATOM 466 N ILE A 27 -10.518 -5.389 -6.991 1.00 0.00 N ATOM 467 CA ILE A 27 -11.410 -5.059 -8.095 1.00 0.00 C ATOM 468 C ILE A 27 -12.465 -6.143 -8.292 1.00 0.00 C ATOM 469 O ILE A 27 -13.594 -5.877 -8.704 1.00 0.00 O ATOM 470 CB ILE A 27 -10.632 -4.871 -9.411 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.461 -4.060 -10.408 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.255 -6.221 -10.001 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.736 -2.643 -9.955 1.00 0.00 C ATOM 0 H ILE A 27 -9.535 -5.468 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.900 -4.121 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.715 -4.321 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.939 -4.032 -11.364 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.410 -4.569 -10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.706 -6.071 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.629 -6.765 -9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.159 -6.795 -10.202 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.328 -2.128 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.286 -2.662 -9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.792 -2.117 -9.813 1.00 0.00 H new ATOM 485 N PRO A 28 -12.090 -7.395 -7.991 1.00 0.00 N ATOM 486 CA PRO A 28 -12.990 -8.545 -8.125 1.00 0.00 C ATOM 487 C PRO A 28 -14.238 -8.408 -7.259 1.00 0.00 C ATOM 488 O PRO A 28 -15.360 -8.558 -7.742 1.00 0.00 O ATOM 489 CB PRO A 28 -12.135 -9.722 -7.649 1.00 0.00 C ATOM 490 CG PRO A 28 -10.729 -9.252 -7.794 1.00 0.00 C ATOM 491 CD PRO A 28 -10.759 -7.785 -7.495 1.00 0.00 C ATOM 0 HA PRO A 28 -13.362 -8.655 -9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.361 -9.983 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.318 -10.613 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.067 -9.778 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.356 -9.439 -8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.646 -7.584 -6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.960 -7.248 -8.007 1.00 0.00 H new ATOM 499 N PHE A 29 -14.034 -8.122 -5.977 1.00 0.00 N ATOM 500 CA PHE A 29 -15.144 -7.965 -5.044 1.00 0.00 C ATOM 501 C PHE A 29 -16.263 -7.134 -5.663 1.00 0.00 C ATOM 502 O PHE A 29 -17.321 -7.657 -6.011 1.00 0.00 O ATOM 503 CB PHE A 29 -14.660 -7.307 -3.750 1.00 0.00 C ATOM 504 CG PHE A 29 -13.750 -8.181 -2.936 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.185 -9.410 -2.466 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.459 -7.774 -2.641 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.349 -10.217 -1.718 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.618 -8.577 -1.893 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.065 -9.800 -1.430 1.00 0.00 C ATOM 0 H PHE A 29 -13.111 -7.994 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.537 -8.956 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.138 -6.382 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.525 -7.034 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.189 -9.741 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.105 -6.819 -2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.700 -11.173 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.613 -8.249 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.411 -10.428 -0.844 1.00 0.00 H new ATOM 519 N GLY A 30 -16.021 -5.833 -5.798 1.00 0.00 N ATOM 520 CA GLY A 30 -17.017 -4.949 -6.375 1.00 0.00 C ATOM 521 C GLY A 30 -16.407 -3.905 -7.288 1.00 0.00 C ATOM 522 O GLY A 30 -15.413 -4.168 -7.965 1.00 0.00 O ATOM 0 H GLY A 30 -15.153 -5.376 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.741 -5.540 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.564 -4.452 -5.574 1.00 0.00 H new ATOM 526 N ASP A 31 -17.003 -2.718 -7.309 1.00 0.00 N ATOM 527 CA ASP A 31 -16.512 -1.631 -8.147 1.00 0.00 C ATOM 528 C ASP A 31 -15.899 -0.523 -7.295 1.00 0.00 C ATOM 529 O ASP A 31 -16.486 0.549 -7.138 1.00 0.00 O ATOM 530 CB ASP A 31 -17.646 -1.065 -9.002 1.00 0.00 C ATOM 531 CG ASP A 31 -18.235 -2.100 -9.940 1.00 0.00 C ATOM 532 OD1 ASP A 31 -17.554 -3.112 -10.211 1.00 0.00 O ATOM 533 OD2 ASP A 31 -19.377 -1.899 -10.403 1.00 0.00 O ATOM 0 H ASP A 31 -17.827 -2.484 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.739 -2.031 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.431 -0.680 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.273 -0.222 -9.584 1.00 0.00 H new ATOM 538 N ILE A 32 -14.718 -0.789 -6.747 1.00 0.00 N ATOM 539 CA ILE A 32 -14.027 0.186 -5.912 1.00 0.00 C ATOM 540 C ILE A 32 -14.203 1.599 -6.457 1.00 0.00 C ATOM 541 O ILE A 32 -13.810 1.896 -7.585 1.00 0.00 O ATOM 542 CB ILE A 32 -12.523 -0.129 -5.808 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.310 -1.504 -5.172 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.812 0.949 -5.003 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.874 -1.975 -5.218 1.00 0.00 C ATOM 0 H ILE A 32 -14.220 -1.671 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.473 0.124 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.099 -0.145 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.640 -1.470 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.939 -2.233 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.750 0.713 -4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.940 1.914 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.236 0.993 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.798 -2.956 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.546 -2.042 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.242 -1.267 -4.682 1.00 0.00 H new ATOM 557 N THR A 33 -14.796 2.470 -5.646 1.00 0.00 N ATOM 558 CA THR A 33 -15.024 3.853 -6.045 1.00 0.00 C ATOM 559 C THR A 33 -13.763 4.691 -5.868 1.00 0.00 C ATOM 560 O THR A 33 -13.399 5.474 -6.746 1.00 0.00 O ATOM 561 CB THR A 33 -16.168 4.491 -5.234 1.00 0.00 C ATOM 562 OG1 THR A 33 -15.780 4.627 -3.862 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.432 3.649 -5.327 1.00 0.00 C ATOM 0 H THR A 33 -15.127 2.242 -4.709 1.00 0.00 H new ATOM 0 HA THR A 33 -15.301 3.836 -7.099 1.00 0.00 H new ATOM 0 HB THR A 33 -16.374 5.476 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.268 5.374 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.226 4.119 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.742 3.571 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.235 2.652 -4.932 1.00 0.00 H new ATOM 571 N ASP A 34 -13.100 4.521 -4.730 1.00 0.00 N ATOM 572 CA ASP A 34 -11.877 5.261 -4.439 1.00 0.00 C ATOM 573 C ASP A 34 -11.118 4.623 -3.280 1.00 0.00 C ATOM 574 O ASP A 34 -11.671 3.814 -2.534 1.00 0.00 O ATOM 575 CB ASP A 34 -12.204 6.719 -4.110 1.00 0.00 C ATOM 576 CG ASP A 34 -12.395 7.564 -5.354 1.00 0.00 C ATOM 577 OD1 ASP A 34 -11.397 7.809 -6.063 1.00 0.00 O ATOM 578 OD2 ASP A 34 -13.542 7.982 -5.617 1.00 0.00 O ATOM 0 H ASP A 34 -13.389 3.877 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.243 5.230 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.110 6.758 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.400 7.142 -3.507 1.00 0.00 H new ATOM 583 N ILE A 35 -9.850 4.990 -3.136 1.00 0.00 N ATOM 584 CA ILE A 35 -9.016 4.453 -2.068 1.00 0.00 C ATOM 585 C ILE A 35 -8.186 5.553 -1.414 1.00 0.00 C ATOM 586 O ILE A 35 -7.821 6.535 -2.059 1.00 0.00 O ATOM 587 CB ILE A 35 -8.071 3.355 -2.590 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.877 2.210 -3.208 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.185 2.840 -1.465 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.025 1.199 -3.943 1.00 0.00 C ATOM 0 H ILE A 35 -9.377 5.657 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.690 4.020 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.432 3.783 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.432 1.701 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.611 2.625 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.523 2.064 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.589 3.661 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.808 2.425 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.663 0.417 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.490 1.695 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.308 0.756 -3.252 1.00 0.00 H new ATOM 602 N GLN A 36 -7.891 5.378 -0.130 1.00 0.00 N ATOM 603 CA GLN A 36 -7.102 6.355 0.612 1.00 0.00 C ATOM 604 C GLN A 36 -5.848 5.713 1.196 1.00 0.00 C ATOM 605 O GLN A 36 -5.925 4.703 1.896 1.00 0.00 O ATOM 606 CB GLN A 36 -7.941 6.974 1.732 1.00 0.00 C ATOM 607 CG GLN A 36 -9.026 7.914 1.231 1.00 0.00 C ATOM 608 CD GLN A 36 -10.104 7.195 0.445 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.084 7.356 -0.873 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -10.947 6.501 1.016 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.186 4.570 0.418 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.797 7.139 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.403 6.175 2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.283 7.520 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.480 8.424 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.574 8.682 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.925 6.405 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.666 6.023 0.473 1.00 0.00 H new ATOM 619 N ILE A 37 -4.695 6.305 0.903 1.00 0.00 N ATOM 620 CA ILE A 37 -3.425 5.790 1.399 1.00 0.00 C ATOM 621 C ILE A 37 -2.733 6.810 2.298 1.00 0.00 C ATOM 622 O ILE A 37 -2.482 7.950 1.907 1.00 0.00 O ATOM 623 CB ILE A 37 -2.479 5.416 0.244 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.090 4.296 -0.602 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.121 4.996 0.786 1.00 0.00 C ATOM 626 CD1 ILE A 37 -2.970 2.928 0.030 1.00 0.00 C ATOM 0 H ILE A 37 -4.614 7.141 0.325 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.652 4.894 1.976 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.340 6.291 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.143 4.516 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.603 4.281 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.463 4.735 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.684 5.820 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.241 4.132 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.424 2.184 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.917 2.687 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.482 2.926 0.992 1.00 0.00 H new ATOM 638 N PRO A 38 -2.415 6.391 3.532 1.00 0.00 N ATOM 639 CA PRO A 38 -1.745 7.251 4.512 1.00 0.00 C ATOM 640 C PRO A 38 -0.297 7.544 4.132 1.00 0.00 C ATOM 641 O PRO A 38 0.563 6.665 4.198 1.00 0.00 O ATOM 642 CB PRO A 38 -1.803 6.430 5.803 1.00 0.00 C ATOM 643 CG PRO A 38 -1.900 5.015 5.348 1.00 0.00 C ATOM 644 CD PRO A 38 -2.684 5.045 4.066 1.00 0.00 C ATOM 0 HA PRO A 38 -2.222 8.228 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.914 6.589 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.663 6.710 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.910 4.587 5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.398 4.398 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.357 4.267 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.748 4.888 4.242 1.00 0.00 H new ATOM 652 N LEU A 39 -0.034 8.783 3.734 1.00 0.00 N ATOM 653 CA LEU A 39 1.310 9.193 3.344 1.00 0.00 C ATOM 654 C LEU A 39 1.800 10.349 4.209 1.00 0.00 C ATOM 655 O LEU A 39 1.002 11.093 4.779 1.00 0.00 O ATOM 656 CB LEU A 39 1.333 9.599 1.869 1.00 0.00 C ATOM 657 CG LEU A 39 0.926 8.517 0.868 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.144 9.000 -0.557 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.704 7.235 1.124 1.00 0.00 C ATOM 0 H LEU A 39 -0.734 9.522 3.673 1.00 0.00 H new ATOM 0 HA LEU A 39 1.979 8.345 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.670 10.455 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.340 9.935 1.621 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.135 8.307 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.849 8.217 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.542 9.891 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.197 9.239 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.402 6.476 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.771 7.430 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.497 6.879 2.133 1.00 0.00 H new ATOM 671 N ASP A 40 3.117 10.495 4.302 1.00 0.00 N ATOM 672 CA ASP A 40 3.714 11.563 5.095 1.00 0.00 C ATOM 673 C ASP A 40 3.765 12.866 4.303 1.00 0.00 C ATOM 674 O ASP A 40 3.388 12.906 3.131 1.00 0.00 O ATOM 675 CB ASP A 40 5.123 11.169 5.542 1.00 0.00 C ATOM 676 CG ASP A 40 5.511 11.808 6.862 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.620 11.989 7.717 1.00 0.00 O ATOM 678 OD2 ASP A 40 6.706 12.126 7.038 1.00 0.00 O ATOM 0 H ASP A 40 3.792 9.887 3.838 1.00 0.00 H new ATOM 0 HA ASP A 40 3.091 11.718 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.182 10.085 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.840 11.462 4.775 1.00 0.00 H new ATOM 683 N TYR A 41 4.231 13.928 4.950 1.00 0.00 N ATOM 684 CA TYR A 41 4.327 15.233 4.307 1.00 0.00 C ATOM 685 C TYR A 41 5.749 15.499 3.824 1.00 0.00 C ATOM 686 O TYR A 41 6.017 16.511 3.176 1.00 0.00 O ATOM 687 CB TYR A 41 3.890 16.335 5.274 1.00 0.00 C ATOM 688 CG TYR A 41 4.999 16.821 6.179 1.00 0.00 C ATOM 689 CD1 TYR A 41 5.902 17.786 5.748 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.144 16.317 7.465 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.918 18.232 6.571 1.00 0.00 C ATOM 692 CE2 TYR A 41 6.156 16.759 8.296 1.00 0.00 C ATOM 693 CZ TYR A 41 7.040 17.716 7.844 1.00 0.00 C ATOM 694 OH TYR A 41 8.050 18.159 8.668 1.00 0.00 O ATOM 0 H TYR A 41 4.548 13.911 5.919 1.00 0.00 H new ATOM 0 HA TYR A 41 3.663 15.233 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.505 17.178 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.068 15.964 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.808 18.194 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.454 15.567 7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.613 18.980 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.254 16.357 9.294 1.00 0.00 H new ATOM 0 HH TYR A 41 7.995 17.697 9.530 1.00 0.00 H new ATOM 704 N GLU A 42 6.657 14.583 4.144 1.00 0.00 N ATOM 705 CA GLU A 42 8.053 14.718 3.744 1.00 0.00 C ATOM 706 C GLU A 42 8.511 13.499 2.949 1.00 0.00 C ATOM 707 O GLU A 42 9.273 13.619 1.989 1.00 0.00 O ATOM 708 CB GLU A 42 8.944 14.903 4.974 1.00 0.00 C ATOM 709 CG GLU A 42 8.599 13.970 6.122 1.00 0.00 C ATOM 710 CD GLU A 42 9.612 14.031 7.249 1.00 0.00 C ATOM 711 OE1 GLU A 42 10.662 13.364 7.138 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.354 14.744 8.241 1.00 0.00 O ATOM 0 H GLU A 42 6.451 13.739 4.679 1.00 0.00 H new ATOM 0 HA GLU A 42 8.138 15.599 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.983 14.743 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.864 15.934 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.613 14.227 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.538 12.948 5.749 1.00 0.00 H new ATOM 719 N THR A 43 8.042 12.323 3.356 1.00 0.00 N ATOM 720 CA THR A 43 8.404 11.082 2.685 1.00 0.00 C ATOM 721 C THR A 43 7.279 10.599 1.777 1.00 0.00 C ATOM 722 O THR A 43 7.499 9.785 0.881 1.00 0.00 O ATOM 723 CB THR A 43 8.742 9.972 3.699 1.00 0.00 C ATOM 724 OG1 THR A 43 7.718 9.893 4.697 1.00 0.00 O ATOM 725 CG2 THR A 43 10.085 10.236 4.362 1.00 0.00 C ATOM 0 H THR A 43 7.410 12.205 4.148 1.00 0.00 H new ATOM 0 HA THR A 43 9.287 11.295 2.083 1.00 0.00 H new ATOM 0 HB THR A 43 8.800 9.025 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.068 9.435 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.302 9.439 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.866 10.267 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.051 11.191 4.886 1.00 0.00 H new ATOM 733 N GLU A 44 6.074 11.108 2.014 1.00 0.00 N ATOM 734 CA GLU A 44 4.915 10.728 1.216 1.00 0.00 C ATOM 735 C GLU A 44 4.816 9.211 1.087 1.00 0.00 C ATOM 736 O GLU A 44 4.346 8.690 0.075 1.00 0.00 O ATOM 737 CB GLU A 44 4.993 11.364 -0.174 1.00 0.00 C ATOM 738 CG GLU A 44 4.783 12.869 -0.167 1.00 0.00 C ATOM 739 CD GLU A 44 6.079 13.638 0.003 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.904 13.233 0.848 1.00 0.00 O ATOM 741 OE2 GLU A 44 6.268 14.645 -0.711 1.00 0.00 O ATOM 0 H GLU A 44 5.875 11.784 2.752 1.00 0.00 H new ATOM 0 HA GLU A 44 4.022 11.091 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.967 11.143 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.243 10.904 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.306 13.170 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.100 13.133 0.640 1.00 0.00 H new ATOM 748 N LYS A 45 5.264 8.505 2.120 1.00 0.00 N ATOM 749 CA LYS A 45 5.228 7.048 2.126 1.00 0.00 C ATOM 750 C LYS A 45 4.269 6.532 3.194 1.00 0.00 C ATOM 751 O LYS A 45 3.955 7.236 4.154 1.00 0.00 O ATOM 752 CB LYS A 45 6.629 6.482 2.368 1.00 0.00 C ATOM 753 CG LYS A 45 7.081 6.575 3.815 1.00 0.00 C ATOM 754 CD LYS A 45 8.504 6.072 3.988 1.00 0.00 C ATOM 755 CE LYS A 45 9.056 6.424 5.361 1.00 0.00 C ATOM 756 NZ LYS A 45 10.376 5.779 5.610 1.00 0.00 N ATOM 0 H LYS A 45 5.657 8.920 2.965 1.00 0.00 H new ATOM 0 HA LYS A 45 4.872 6.715 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.649 5.438 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.341 7.016 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.016 7.610 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.409 5.992 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.528 4.991 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.141 6.505 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.159 7.506 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.348 6.111 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.719 6.043 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.273 4.746 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.059 6.097 4.893 1.00 0.00 H new ATOM 770 N HIS A 46 3.807 5.297 3.021 1.00 0.00 N ATOM 771 CA HIS A 46 2.885 4.686 3.972 1.00 0.00 C ATOM 772 C HIS A 46 3.626 3.754 4.926 1.00 0.00 C ATOM 773 O HIS A 46 4.802 3.452 4.724 1.00 0.00 O ATOM 774 CB HIS A 46 1.793 3.913 3.232 1.00 0.00 C ATOM 775 CG HIS A 46 2.180 2.507 2.893 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.560 1.581 3.842 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.243 1.869 1.700 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.842 0.435 3.248 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.657 0.583 1.948 1.00 0.00 N ATOM 0 H HIS A 46 4.056 4.701 2.232 1.00 0.00 H new ATOM 0 HA HIS A 46 2.424 5.483 4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.892 3.895 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.542 4.444 2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.011 2.292 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.168 -0.469 3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.799 -0.140 1.243 1.00 0.00 H new ATOM 787 N ARG A 47 2.931 3.304 5.966 1.00 0.00 N ATOM 788 CA ARG A 47 3.525 2.409 6.951 1.00 0.00 C ATOM 789 C ARG A 47 3.173 0.956 6.647 1.00 0.00 C ATOM 790 O ARG A 47 4.049 0.093 6.589 1.00 0.00 O ATOM 791 CB ARG A 47 3.048 2.776 8.358 1.00 0.00 C ATOM 792 CG ARG A 47 3.886 2.160 9.466 1.00 0.00 C ATOM 793 CD ARG A 47 5.136 2.981 9.742 1.00 0.00 C ATOM 794 NE ARG A 47 6.094 2.256 10.572 1.00 0.00 N ATOM 795 CZ ARG A 47 7.181 2.813 11.096 1.00 0.00 C ATOM 796 NH1 ARG A 47 7.445 4.093 10.876 1.00 0.00 N ATOM 797 NH2 ARG A 47 8.005 2.088 11.841 1.00 0.00 N ATOM 0 H ARG A 47 1.957 3.545 6.148 1.00 0.00 H new ATOM 0 HA ARG A 47 4.608 2.521 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.060 3.861 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.013 2.456 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.290 2.086 10.376 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.170 1.145 9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.607 3.253 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.857 3.911 10.238 1.00 0.00 H new ATOM 0 HE ARG A 47 5.920 1.269 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.813 4.653 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.280 4.518 11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.804 1.103 12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.839 2.516 12.243 1.00 0.00 H new ATOM 811 N GLY A 48 1.884 0.691 6.455 1.00 0.00 N ATOM 812 CA GLY A 48 1.440 -0.658 6.160 1.00 0.00 C ATOM 813 C GLY A 48 -0.048 -0.841 6.387 1.00 0.00 C ATOM 814 O GLY A 48 -0.473 -1.812 7.013 1.00 0.00 O ATOM 0 H GLY A 48 1.140 1.387 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.679 -0.897 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.989 -1.363 6.784 1.00 0.00 H new ATOM 818 N PHE A 49 -0.842 0.095 5.878 1.00 0.00 N ATOM 819 CA PHE A 49 -2.291 0.034 6.031 1.00 0.00 C ATOM 820 C PHE A 49 -2.971 1.121 5.204 1.00 0.00 C ATOM 821 O PHE A 49 -2.368 2.147 4.891 1.00 0.00 O ATOM 822 CB PHE A 49 -2.676 0.182 7.504 1.00 0.00 C ATOM 823 CG PHE A 49 -2.198 1.465 8.123 1.00 0.00 C ATOM 824 CD1 PHE A 49 -2.937 2.630 7.992 1.00 0.00 C ATOM 825 CD2 PHE A 49 -1.010 1.506 8.834 1.00 0.00 C ATOM 826 CE1 PHE A 49 -2.500 3.812 8.561 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.568 2.684 9.405 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.313 3.839 9.267 1.00 0.00 C ATOM 0 H PHE A 49 -0.507 0.905 5.356 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.629 -0.937 5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.761 0.126 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.265 -0.658 8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.865 2.614 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.422 0.607 8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.086 4.713 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.359 2.702 9.959 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.968 4.761 9.710 1.00 0.00 H new ATOM 838 N ALA A 50 -4.231 0.887 4.852 1.00 0.00 N ATOM 839 CA ALA A 50 -4.995 1.846 4.063 1.00 0.00 C ATOM 840 C ALA A 50 -6.494 1.599 4.200 1.00 0.00 C ATOM 841 O ALA A 50 -6.923 0.720 4.946 1.00 0.00 O ATOM 842 CB ALA A 50 -4.578 1.777 2.601 1.00 0.00 C ATOM 0 H ALA A 50 -4.744 0.041 5.101 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.782 2.845 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.156 2.498 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.517 2.010 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.762 0.774 2.217 1.00 0.00 H new ATOM 848 N PHE A 51 -7.286 2.382 3.474 1.00 0.00 N ATOM 849 CA PHE A 51 -8.737 2.250 3.516 1.00 0.00 C ATOM 850 C PHE A 51 -9.317 2.171 2.107 1.00 0.00 C ATOM 851 O PHE A 51 -9.066 3.039 1.271 1.00 0.00 O ATOM 852 CB PHE A 51 -9.357 3.429 4.269 1.00 0.00 C ATOM 853 CG PHE A 51 -8.882 3.549 5.690 1.00 0.00 C ATOM 854 CD1 PHE A 51 -9.320 2.659 6.657 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.999 4.551 6.057 1.00 0.00 C ATOM 856 CE1 PHE A 51 -8.885 2.768 7.965 1.00 0.00 C ATOM 857 CE2 PHE A 51 -7.561 4.664 7.363 1.00 0.00 C ATOM 858 CZ PHE A 51 -8.004 3.771 8.318 1.00 0.00 C ATOM 0 H PHE A 51 -6.947 3.114 2.850 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.977 1.326 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.125 4.352 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.442 3.323 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.008 1.872 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.649 5.252 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.234 2.069 8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.873 5.450 7.636 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.662 3.857 9.339 1.00 0.00 H new ATOM 868 N VAL A 52 -10.094 1.123 1.851 1.00 0.00 N ATOM 869 CA VAL A 52 -10.710 0.930 0.544 1.00 0.00 C ATOM 870 C VAL A 52 -12.211 1.191 0.600 1.00 0.00 C ATOM 871 O VAL A 52 -12.898 0.723 1.508 1.00 0.00 O ATOM 872 CB VAL A 52 -10.467 -0.496 0.014 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.056 -0.656 -1.379 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.981 -0.818 0.014 1.00 0.00 C ATOM 0 H VAL A 52 -10.312 0.395 2.532 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.245 1.646 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.968 -1.201 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.874 -1.670 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.130 -0.471 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.587 0.057 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.828 -1.829 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.455 -0.109 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.593 -0.747 1.030 1.00 0.00 H new ATOM 884 N GLU A 53 -12.713 1.939 -0.377 1.00 0.00 N ATOM 885 CA GLU A 53 -14.134 2.263 -0.438 1.00 0.00 C ATOM 886 C GLU A 53 -14.852 1.371 -1.447 1.00 0.00 C ATOM 887 O GLU A 53 -14.467 1.301 -2.614 1.00 0.00 O ATOM 888 CB GLU A 53 -14.329 3.734 -0.811 1.00 0.00 C ATOM 889 CG GLU A 53 -15.708 4.271 -0.464 1.00 0.00 C ATOM 890 CD GLU A 53 -15.812 5.773 -0.650 1.00 0.00 C ATOM 891 OE1 GLU A 53 -15.332 6.514 0.233 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.373 6.206 -1.678 1.00 0.00 O ATOM 0 H GLU A 53 -12.158 2.332 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.564 2.086 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.576 4.333 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.160 3.855 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.453 3.779 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.942 4.019 0.570 1.00 0.00 H new ATOM 899 N PHE A 54 -15.897 0.691 -0.988 1.00 0.00 N ATOM 900 CA PHE A 54 -16.669 -0.198 -1.849 1.00 0.00 C ATOM 901 C PHE A 54 -17.936 0.491 -2.346 1.00 0.00 C ATOM 902 O PHE A 54 -18.551 1.276 -1.625 1.00 0.00 O ATOM 903 CB PHE A 54 -17.033 -1.481 -1.098 1.00 0.00 C ATOM 904 CG PHE A 54 -15.914 -2.481 -1.043 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.627 -2.084 -0.718 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.150 -3.819 -1.316 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.596 -3.003 -0.666 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.122 -4.742 -1.265 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.843 -4.333 -0.941 1.00 0.00 C ATOM 0 H PHE A 54 -16.229 0.738 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.053 -0.453 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.331 -1.225 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.897 -1.941 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.427 -1.045 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.148 -4.144 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.597 -2.681 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.319 -5.782 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.038 -5.052 -0.903 1.00 0.00 H new ATOM 919 N GLU A 55 -18.319 0.192 -3.583 1.00 0.00 N ATOM 920 CA GLU A 55 -19.512 0.784 -4.177 1.00 0.00 C ATOM 921 C GLU A 55 -20.748 0.477 -3.336 1.00 0.00 C ATOM 922 O GLU A 55 -21.662 1.296 -3.232 1.00 0.00 O ATOM 923 CB GLU A 55 -19.710 0.265 -5.602 1.00 0.00 C ATOM 924 CG GLU A 55 -20.835 0.959 -6.352 1.00 0.00 C ATOM 925 CD GLU A 55 -21.446 0.083 -7.429 1.00 0.00 C ATOM 926 OE1 GLU A 55 -20.742 -0.820 -7.927 1.00 0.00 O ATOM 927 OE2 GLU A 55 -22.626 0.302 -7.774 1.00 0.00 O ATOM 0 H GLU A 55 -17.821 -0.456 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.374 1.865 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.781 0.392 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.915 -0.805 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.611 1.253 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.454 1.874 -6.806 1.00 0.00 H new ATOM 934 N LEU A 56 -20.769 -0.709 -2.737 1.00 0.00 N ATOM 935 CA LEU A 56 -21.893 -1.126 -1.905 1.00 0.00 C ATOM 936 C LEU A 56 -21.406 -1.672 -0.566 1.00 0.00 C ATOM 937 O LEU A 56 -20.211 -1.890 -0.372 1.00 0.00 O ATOM 938 CB LEU A 56 -22.724 -2.186 -2.629 1.00 0.00 C ATOM 939 CG LEU A 56 -23.361 -1.753 -3.950 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.930 -2.954 -4.688 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.445 -0.713 -3.704 1.00 0.00 C ATOM 0 H LEU A 56 -20.021 -1.398 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.516 -0.252 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.087 -3.049 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.516 -2.518 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.588 -1.303 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.379 -2.626 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.130 -3.664 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.689 -3.434 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.887 -0.416 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.217 -1.137 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.008 0.160 -3.219 1.00 0.00 H new ATOM 953 N ALA A 57 -22.341 -1.892 0.352 1.00 0.00 N ATOM 954 CA ALA A 57 -22.007 -2.417 1.671 1.00 0.00 C ATOM 955 C ALA A 57 -21.828 -3.931 1.630 1.00 0.00 C ATOM 956 O ALA A 57 -20.798 -4.454 2.054 1.00 0.00 O ATOM 957 CB ALA A 57 -23.084 -2.038 2.677 1.00 0.00 C ATOM 0 H ALA A 57 -23.335 -1.715 0.207 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.061 -1.974 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.822 -2.436 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.162 -0.952 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.040 -2.454 2.360 1.00 0.00 H new ATOM 963 N GLU A 58 -22.837 -4.628 1.117 1.00 0.00 N ATOM 964 CA GLU A 58 -22.790 -6.082 1.023 1.00 0.00 C ATOM 965 C GLU A 58 -21.434 -6.550 0.504 1.00 0.00 C ATOM 966 O GLU A 58 -20.807 -7.436 1.085 1.00 0.00 O ATOM 967 CB GLU A 58 -23.903 -6.593 0.106 1.00 0.00 C ATOM 968 CG GLU A 58 -23.851 -6.011 -1.297 1.00 0.00 C ATOM 969 CD GLU A 58 -25.028 -6.441 -2.151 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.078 -5.768 -2.094 1.00 0.00 O ATOM 971 OE2 GLU A 58 -24.898 -7.449 -2.876 1.00 0.00 O ATOM 0 H GLU A 58 -23.696 -4.209 0.760 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.938 -6.490 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.840 -7.679 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.868 -6.356 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.831 -4.923 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -22.924 -6.320 -1.780 1.00 0.00 H new ATOM 978 N ASP A 59 -20.988 -5.949 -0.594 1.00 0.00 N ATOM 979 CA ASP A 59 -19.706 -6.303 -1.192 1.00 0.00 C ATOM 980 C ASP A 59 -18.576 -6.164 -0.177 1.00 0.00 C ATOM 981 O ASP A 59 -17.732 -7.050 -0.048 1.00 0.00 O ATOM 982 CB ASP A 59 -19.426 -5.420 -2.410 1.00 0.00 C ATOM 983 CG ASP A 59 -20.533 -5.491 -3.443 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.137 -6.574 -3.592 1.00 0.00 O ATOM 985 OD2 ASP A 59 -20.796 -4.464 -4.103 1.00 0.00 O ATOM 0 H ASP A 59 -21.495 -5.215 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.757 -7.344 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.302 -4.387 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.485 -5.726 -2.868 1.00 0.00 H new ATOM 990 N ALA A 60 -18.565 -5.045 0.540 1.00 0.00 N ATOM 991 CA ALA A 60 -17.539 -4.791 1.544 1.00 0.00 C ATOM 992 C ALA A 60 -17.473 -5.925 2.561 1.00 0.00 C ATOM 993 O ALA A 60 -16.412 -6.503 2.792 1.00 0.00 O ATOM 994 CB ALA A 60 -17.804 -3.466 2.244 1.00 0.00 C ATOM 0 H ALA A 60 -19.255 -4.300 0.444 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.575 -4.736 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.031 -3.288 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.793 -2.659 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.778 -3.500 2.731 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.614 -6.238 3.166 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.685 -7.305 4.158 1.00 0.00 C ATOM 1002 C ALA A 61 -18.060 -8.590 3.627 1.00 0.00 C ATOM 1003 O ALA A 61 -17.320 -9.271 4.336 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.130 -7.548 4.568 1.00 0.00 C ATOM 0 H ALA A 61 -19.502 -5.768 2.987 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.118 -6.992 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.169 -8.347 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.545 -6.636 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.713 -7.836 3.693 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.364 -8.917 2.375 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.830 -10.121 1.749 1.00 0.00 C ATOM 1012 C ALA A 62 -16.309 -10.069 1.667 1.00 0.00 C ATOM 1013 O ALA A 62 -15.629 -11.058 1.938 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.429 -10.304 0.362 1.00 0.00 C ATOM 0 H ALA A 62 -18.977 -8.365 1.774 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.105 -10.975 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.022 -11.206 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.512 -10.395 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.183 -9.442 -0.257 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.780 -8.909 1.292 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.338 -8.728 1.176 1.00 0.00 C ATOM 1022 C ALA A 63 -13.640 -9.017 2.500 1.00 0.00 C ATOM 1023 O ALA A 63 -12.566 -9.619 2.528 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.020 -7.316 0.706 1.00 0.00 C ATOM 0 H ALA A 63 -16.329 -8.080 1.063 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.966 -9.438 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.940 -7.195 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.480 -7.144 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.412 -6.596 1.425 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.256 -8.585 3.595 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.694 -8.798 4.923 1.00 0.00 C ATOM 1032 C ILE A 64 -13.655 -10.282 5.271 1.00 0.00 C ATOM 1033 O ILE A 64 -12.591 -10.840 5.539 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.498 -8.049 6.002 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.543 -6.552 5.688 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.891 -8.290 7.376 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.372 -5.754 6.670 1.00 0.00 C ATOM 0 H ILE A 64 -15.145 -8.085 3.589 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.677 -8.405 4.902 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.519 -8.431 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.526 -6.160 5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.947 -6.411 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.470 -7.754 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.906 -9.357 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.862 -7.932 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.359 -4.702 6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.399 -6.120 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.956 -5.865 7.671 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.823 -10.916 5.265 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.923 -12.337 5.578 1.00 0.00 C ATOM 1051 C ASP A 65 -13.912 -13.144 4.768 1.00 0.00 C ATOM 1052 O ASP A 65 -13.515 -14.237 5.168 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.339 -12.843 5.299 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.257 -12.683 6.495 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -16.806 -12.951 7.628 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -18.426 -12.290 6.298 1.00 0.00 O ATOM 0 H ASP A 65 -15.713 -10.468 5.047 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.701 -12.468 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.755 -12.300 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.297 -13.895 5.015 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.502 -12.597 3.629 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.539 -13.267 2.762 1.00 0.00 C ATOM 1063 C ASN A 66 -11.125 -12.760 3.027 1.00 0.00 C ATOM 1064 O ASN A 66 -10.315 -13.447 3.648 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.905 -13.048 1.293 1.00 0.00 C ATOM 1066 CG ASN A 66 -14.085 -13.896 0.858 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.946 -14.790 0.024 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.254 -13.617 1.423 1.00 0.00 N ATOM 0 H ASN A 66 -13.821 -11.692 3.284 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.570 -14.334 2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.139 -11.996 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.043 -13.282 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.084 -14.153 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.322 -12.866 2.110 1.00 0.00 H new ATOM 1075 N MET A 67 -10.836 -11.553 2.551 1.00 0.00 N ATOM 1076 CA MET A 67 -9.520 -10.954 2.738 1.00 0.00 C ATOM 1077 C MET A 67 -9.005 -11.201 4.153 1.00 0.00 C ATOM 1078 O MET A 67 -7.799 -11.288 4.378 1.00 0.00 O ATOM 1079 CB MET A 67 -9.576 -9.450 2.460 1.00 0.00 C ATOM 1080 CG MET A 67 -9.902 -9.112 1.014 1.00 0.00 C ATOM 1081 SD MET A 67 -8.899 -10.042 -0.160 1.00 0.00 S ATOM 1082 CE MET A 67 -7.260 -9.448 0.250 1.00 0.00 C ATOM 0 H MET A 67 -11.495 -10.971 2.033 1.00 0.00 H new ATOM 0 HA MET A 67 -8.833 -11.422 2.033 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.325 -8.996 3.109 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.616 -9.004 2.721 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.956 -9.315 0.826 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.749 -8.045 0.851 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.794 -9.022 -0.639 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.333 -8.683 1.023 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.654 -10.277 0.616 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.929 -11.314 5.102 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.568 -11.551 6.495 1.00 0.00 C ATOM 1094 C ASN A 68 -8.531 -12.665 6.607 1.00 0.00 C ATOM 1095 O ASN A 68 -8.773 -13.796 6.186 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.810 -11.913 7.311 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.476 -12.739 8.538 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.676 -13.954 8.556 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -9.963 -12.082 9.572 1.00 0.00 N ATOM 0 H ASN A 68 -10.932 -11.245 4.932 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.134 -10.633 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.318 -10.999 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.506 -12.468 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.718 -12.585 10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.814 -11.075 9.513 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.376 -12.336 7.176 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.302 -13.308 7.342 1.00 0.00 C ATOM 1108 C GLU A 69 -5.923 -13.934 6.003 1.00 0.00 C ATOM 1109 O GLU A 69 -5.754 -15.149 5.900 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.722 -14.401 8.328 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.706 -13.951 9.779 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.357 -14.956 10.709 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.387 -15.544 10.320 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.835 -15.154 11.826 1.00 0.00 O ATOM 0 H GLU A 69 -7.160 -11.404 7.530 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.431 -12.786 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.725 -14.742 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.056 -15.256 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.675 -13.786 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.222 -12.995 9.865 1.00 0.00 H new ATOM 1121 N SER A 70 -5.791 -13.095 4.981 1.00 0.00 N ATOM 1122 CA SER A 70 -5.436 -13.566 3.647 1.00 0.00 C ATOM 1123 C SER A 70 -3.927 -13.508 3.434 1.00 0.00 C ATOM 1124 O SER A 70 -3.186 -13.033 4.294 1.00 0.00 O ATOM 1125 CB SER A 70 -6.146 -12.727 2.582 1.00 0.00 C ATOM 1126 OG SER A 70 -7.469 -13.186 2.370 1.00 0.00 O ATOM 0 H SER A 70 -5.924 -12.086 5.051 1.00 0.00 H new ATOM 0 HA SER A 70 -5.758 -14.603 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.165 -11.682 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.588 -12.772 1.647 1.00 0.00 H new ATOM 0 HG SER A 70 -7.676 -13.156 1.413 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.479 -13.995 2.281 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.058 -14.000 1.955 1.00 0.00 C ATOM 1134 C GLU A 71 -1.766 -13.071 0.780 1.00 0.00 C ATOM 1135 O GLU A 71 -2.285 -13.262 -0.321 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.592 -15.419 1.625 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.114 -15.512 1.286 1.00 0.00 C ATOM 1138 CD GLU A 71 0.431 -16.920 1.429 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.392 -17.459 2.555 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.896 -17.482 0.416 1.00 0.00 O ATOM 0 H GLU A 71 -4.079 -14.391 1.558 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.511 -13.639 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.802 -16.068 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.173 -15.797 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.043 -15.168 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.447 -14.842 1.937 1.00 0.00 H new ATOM 1147 N LEU A 72 -0.933 -12.065 1.022 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.572 -11.105 -0.016 1.00 0.00 C ATOM 1149 C LEU A 72 0.907 -10.739 0.072 1.00 0.00 C ATOM 1150 O LEU A 72 1.430 -10.480 1.156 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.429 -9.844 0.108 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.258 -8.805 -1.001 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.868 -9.306 -2.301 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.885 -7.480 -0.592 1.00 0.00 C ATOM 0 H LEU A 72 -0.495 -11.893 1.927 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.756 -11.568 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.477 -10.143 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.204 -9.368 1.062 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.192 -8.646 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.737 -8.553 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.374 -10.229 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.932 -9.495 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.754 -6.753 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.949 -7.624 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.402 -7.113 0.314 1.00 0.00 H new ATOM 1166 N PHE A 73 1.575 -10.719 -1.077 1.00 0.00 N ATOM 1167 CA PHE A 73 2.993 -10.383 -1.130 1.00 0.00 C ATOM 1168 C PHE A 73 3.804 -11.303 -0.222 1.00 0.00 C ATOM 1169 O PHE A 73 4.874 -10.932 0.259 1.00 0.00 O ATOM 1170 CB PHE A 73 3.209 -8.924 -0.723 1.00 0.00 C ATOM 1171 CG PHE A 73 3.050 -7.955 -1.859 1.00 0.00 C ATOM 1172 CD1 PHE A 73 2.048 -8.129 -2.800 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.902 -6.869 -1.986 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.898 -7.238 -3.847 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.756 -5.975 -3.029 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.754 -6.161 -3.962 1.00 0.00 C ATOM 0 H PHE A 73 1.157 -10.931 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 73 3.336 -10.520 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.502 -8.667 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.209 -8.817 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.376 -8.970 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.689 -6.720 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.112 -7.384 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.425 -5.131 -3.115 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.641 -5.465 -4.780 1.00 0.00 H new ATOM 1186 N GLY A 74 3.284 -12.505 0.009 1.00 0.00 N ATOM 1187 CA GLY A 74 3.972 -13.459 0.860 1.00 0.00 C ATOM 1188 C GLY A 74 3.873 -13.101 2.330 1.00 0.00 C ATOM 1189 O GLY A 74 4.794 -13.365 3.103 1.00 0.00 O ATOM 0 H GLY A 74 2.400 -12.835 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.551 -14.452 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.022 -13.508 0.571 1.00 0.00 H new ATOM 1193 N ARG A 75 2.754 -12.498 2.717 1.00 0.00 N ATOM 1194 CA ARG A 75 2.540 -12.101 4.103 1.00 0.00 C ATOM 1195 C ARG A 75 1.052 -12.086 4.441 1.00 0.00 C ATOM 1196 O ARG A 75 0.204 -11.977 3.555 1.00 0.00 O ATOM 1197 CB ARG A 75 3.146 -10.720 4.360 1.00 0.00 C ATOM 1198 CG ARG A 75 2.202 -9.572 4.041 1.00 0.00 C ATOM 1199 CD ARG A 75 2.961 -8.342 3.567 1.00 0.00 C ATOM 1200 NE ARG A 75 3.972 -8.674 2.566 1.00 0.00 N ATOM 1201 CZ ARG A 75 5.054 -7.937 2.341 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.264 -6.831 3.043 1.00 0.00 N ATOM 1203 NH2 ARG A 75 5.928 -8.305 1.414 1.00 0.00 N ATOM 0 H ARG A 75 1.981 -12.274 2.090 1.00 0.00 H new ATOM 0 HA ARG A 75 3.033 -12.832 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.446 -10.653 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.051 -10.612 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.495 -9.884 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.619 -9.322 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.258 -7.622 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.440 -7.861 4.420 1.00 0.00 H new ATOM 0 HE ARG A 75 3.840 -9.518 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.594 -6.545 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.095 -6.266 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.770 -9.155 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.758 -7.738 1.242 1.00 0.00 H new ATOM 1217 N THR A 76 0.742 -12.198 5.729 1.00 0.00 N ATOM 1218 CA THR A 76 -0.642 -12.199 6.184 1.00 0.00 C ATOM 1219 C THR A 76 -1.120 -10.786 6.496 1.00 0.00 C ATOM 1220 O THR A 76 -0.422 -10.016 7.157 1.00 0.00 O ATOM 1221 CB THR A 76 -0.821 -13.078 7.437 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.265 -14.377 7.207 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.292 -13.207 7.801 1.00 0.00 C ATOM 0 H THR A 76 1.431 -12.289 6.475 1.00 0.00 H new ATOM 0 HA THR A 76 -1.241 -12.611 5.372 1.00 0.00 H new ATOM 0 HB THR A 76 -0.298 -12.602 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.381 -14.929 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.394 -13.832 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.705 -12.219 8.004 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.833 -13.663 6.972 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.313 -10.450 6.017 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.884 -9.129 6.248 1.00 0.00 C ATOM 1233 C ILE A 77 -4.175 -9.221 7.055 1.00 0.00 C ATOM 1234 O ILE A 77 -4.799 -10.279 7.128 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.173 -8.401 4.921 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.098 -9.245 4.042 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.873 -8.096 4.191 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.679 -8.484 2.872 1.00 0.00 C ATOM 0 H ILE A 77 -2.903 -11.074 5.467 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.145 -8.560 6.812 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.673 -7.458 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.544 -10.105 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.913 -9.633 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.093 -7.582 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.245 -7.460 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.348 -9.027 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.324 -9.144 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.261 -7.639 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.871 -8.119 2.238 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.569 -8.104 7.659 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.786 -8.058 8.461 1.00 0.00 C ATOM 1252 C ARG A 78 -6.804 -7.100 7.850 1.00 0.00 C ATOM 1253 O ARG A 78 -6.474 -5.966 7.501 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.462 -7.630 9.893 1.00 0.00 C ATOM 1255 CG ARG A 78 -5.143 -8.792 10.819 1.00 0.00 C ATOM 1256 CD ARG A 78 -3.656 -9.112 10.821 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.235 -9.749 12.065 1.00 0.00 N ATOM 1258 CZ ARG A 78 -3.508 -11.012 12.373 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -4.199 -11.769 11.532 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -3.090 -11.520 13.525 1.00 0.00 N ATOM 0 H ARG A 78 -4.063 -7.220 7.608 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.219 -9.058 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.613 -6.947 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.309 -7.076 10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.465 -8.550 11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.705 -9.672 10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.425 -9.768 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.087 -8.194 10.673 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.702 -9.194 12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.523 -11.382 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.407 -12.738 11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.559 -10.941 14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.300 -12.490 13.761 1.00 0.00 H new ATOM 1274 N VAL A 79 -8.043 -7.564 7.722 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.110 -6.748 7.154 1.00 0.00 C ATOM 1276 C VAL A 79 -10.268 -6.599 8.133 1.00 0.00 C ATOM 1277 O VAL A 79 -10.625 -7.542 8.837 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.638 -7.352 5.839 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.722 -6.467 5.242 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.499 -7.554 4.850 1.00 0.00 C ATOM 0 H VAL A 79 -8.333 -8.500 8.004 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.683 -5.766 6.949 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.076 -8.326 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.083 -6.910 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.549 -6.378 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.312 -5.478 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.890 -7.981 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.029 -6.594 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.760 -8.231 5.279 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.853 -5.406 8.172 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.972 -5.132 9.066 1.00 0.00 C ATOM 1292 C ASN A 80 -12.553 -3.746 8.801 1.00 0.00 C ATOM 1293 O ASN A 80 -11.938 -2.922 8.123 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.525 -5.239 10.525 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.656 -4.965 11.498 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -12.599 -4.017 12.281 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -13.690 -5.796 11.452 1.00 0.00 N ATOM 0 H ASN A 80 -10.571 -4.614 7.595 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.747 -5.874 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.126 -6.237 10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.714 -4.533 10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.481 -5.662 12.082 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.694 -6.569 10.786 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.741 -3.496 9.340 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.406 -2.210 9.163 1.00 0.00 C ATOM 1306 C LEU A 81 -13.492 -1.062 9.581 1.00 0.00 C ATOM 1307 O LEU A 81 -12.821 -1.133 10.610 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.701 -2.167 9.976 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.878 -2.960 9.406 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -18.015 -3.027 10.414 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.355 -2.343 8.100 1.00 0.00 C ATOM 0 H LEU A 81 -14.264 -4.167 9.903 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.644 -2.095 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.490 -2.539 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.007 -1.126 10.080 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.541 -3.976 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.843 -3.595 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.667 -3.516 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.351 -2.018 10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -18.193 -2.921 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.674 -1.316 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.541 -2.350 7.376 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.473 -0.004 8.777 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.645 1.160 9.065 1.00 0.00 C ATOM 1325 C ALA A 82 -13.011 1.774 10.412 1.00 0.00 C ATOM 1326 O ALA A 82 -14.098 1.536 10.940 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.784 2.194 7.957 1.00 0.00 C ATOM 0 H ALA A 82 -14.022 0.071 7.921 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.606 0.833 9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.160 3.058 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.467 1.757 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.825 2.508 7.881 1.00 0.00 H new ATOM 1333 N LYS A 83 -12.097 2.564 10.965 1.00 0.00 N ATOM 1334 CA LYS A 83 -12.323 3.213 12.251 1.00 0.00 C ATOM 1335 C LYS A 83 -13.187 4.459 12.087 1.00 0.00 C ATOM 1336 O LYS A 83 -13.221 5.085 11.028 1.00 0.00 O ATOM 1337 CB LYS A 83 -10.988 3.587 12.899 1.00 0.00 C ATOM 1338 CG LYS A 83 -10.197 2.389 13.396 1.00 0.00 C ATOM 1339 CD LYS A 83 -9.316 2.755 14.579 1.00 0.00 C ATOM 1340 CE LYS A 83 -8.175 3.671 14.162 1.00 0.00 C ATOM 1341 NZ LYS A 83 -7.306 4.035 15.316 1.00 0.00 N ATOM 0 H LYS A 83 -11.192 2.770 10.542 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.849 2.510 12.897 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.384 4.136 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.176 4.260 13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.883 1.593 13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.579 1.999 12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.918 3.246 15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.911 1.848 15.027 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.575 3.179 13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.582 4.577 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.541 4.660 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.873 4.527 16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.897 3.172 15.728 1.00 0.00 H new ATOM 1355 N PRO A 84 -13.901 4.830 13.160 1.00 0.00 N ATOM 1356 CA PRO A 84 -14.777 6.006 13.160 1.00 0.00 C ATOM 1357 C PRO A 84 -13.993 7.313 13.109 1.00 0.00 C ATOM 1358 O PRO A 84 -14.575 8.395 13.045 1.00 0.00 O ATOM 1359 CB PRO A 84 -15.531 5.887 14.487 1.00 0.00 C ATOM 1360 CG PRO A 84 -14.629 5.089 15.365 1.00 0.00 C ATOM 1361 CD PRO A 84 -13.909 4.131 14.456 1.00 0.00 C ATOM 0 HA PRO A 84 -15.427 6.030 12.285 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.735 6.868 14.916 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.493 5.392 14.353 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.924 5.734 15.890 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.198 4.553 16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.898 3.926 14.808 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.425 3.173 14.392 1.00 0.00 H new ATOM 1369 N MET A 85 -12.668 7.204 13.136 1.00 0.00 N ATOM 1370 CA MET A 85 -11.805 8.378 13.091 1.00 0.00 C ATOM 1371 C MET A 85 -11.992 9.141 11.783 1.00 0.00 C ATOM 1372 O MET A 85 -11.725 8.613 10.703 1.00 0.00 O ATOM 1373 CB MET A 85 -10.340 7.967 13.249 1.00 0.00 C ATOM 1374 CG MET A 85 -9.357 9.073 12.902 1.00 0.00 C ATOM 1375 SD MET A 85 -9.445 10.465 14.043 1.00 0.00 S ATOM 1376 CE MET A 85 -9.488 11.841 12.897 1.00 0.00 C ATOM 0 H MET A 85 -12.170 6.316 13.189 1.00 0.00 H new ATOM 0 HA MET A 85 -12.083 9.033 13.917 1.00 0.00 H new ATOM 0 HB2 MET A 85 -10.169 7.650 14.278 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.143 7.104 12.613 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.345 8.668 12.906 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.555 9.425 11.890 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.961 12.692 13.330 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.005 11.552 11.963 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.524 12.118 12.700 1.00 0.00 H new ATOM 1386 N ARG A 86 -12.452 10.383 11.888 1.00 0.00 N ATOM 1387 CA ARG A 86 -12.677 11.216 10.713 1.00 0.00 C ATOM 1388 C ARG A 86 -12.780 12.688 11.102 1.00 0.00 C ATOM 1389 O ARG A 86 -13.202 13.019 12.210 1.00 0.00 O ATOM 1390 CB ARG A 86 -13.950 10.779 9.987 1.00 0.00 C ATOM 1391 CG ARG A 86 -14.132 11.435 8.628 1.00 0.00 C ATOM 1392 CD ARG A 86 -15.603 11.589 8.276 1.00 0.00 C ATOM 1393 NE ARG A 86 -16.204 10.322 7.866 1.00 0.00 N ATOM 1394 CZ ARG A 86 -15.939 9.723 6.711 1.00 0.00 C ATOM 1395 NH1 ARG A 86 -15.089 10.273 5.855 1.00 0.00 N ATOM 1396 NH2 ARG A 86 -16.526 8.572 6.409 1.00 0.00 N ATOM 0 H ARG A 86 -12.676 10.835 12.775 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.826 11.093 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.932 9.697 9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.812 11.012 10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.652 12.414 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.635 10.837 7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.142 11.984 9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.709 12.317 7.472 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.863 9.873 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.637 11.158 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.887 9.811 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.182 8.146 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.322 8.113 5.521 1.00 0.00 H new ATOM 1410 N ILE A 87 -12.391 13.566 10.184 1.00 0.00 N ATOM 1411 CA ILE A 87 -12.440 15.002 10.431 1.00 0.00 C ATOM 1412 C ILE A 87 -13.285 15.712 9.379 1.00 0.00 C ATOM 1413 O ILE A 87 -12.925 15.755 8.202 1.00 0.00 O ATOM 1414 CB ILE A 87 -11.029 15.620 10.443 1.00 0.00 C ATOM 1415 CG1 ILE A 87 -10.137 14.928 9.411 1.00 0.00 C ATOM 1416 CG2 ILE A 87 -10.419 15.518 11.833 1.00 0.00 C ATOM 1417 CD1 ILE A 87 -8.825 15.641 9.172 1.00 0.00 C ATOM 0 H ILE A 87 -12.038 13.308 9.262 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.895 15.138 11.412 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.107 16.674 10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.933 13.910 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.678 14.853 8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.422 15.959 11.826 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.047 16.052 12.546 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.350 14.470 12.124 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.244 15.095 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.020 16.650 8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.264 15.693 10.105 1.00 0.00 H new ATOM 1429 N LYS A 88 -14.411 16.271 9.810 1.00 0.00 N ATOM 1430 CA LYS A 88 -15.307 16.983 8.907 1.00 0.00 C ATOM 1431 C LYS A 88 -16.374 17.743 9.688 1.00 0.00 C ATOM 1432 O LYS A 88 -17.047 17.177 10.549 1.00 0.00 O ATOM 1433 CB LYS A 88 -15.971 16.003 7.937 1.00 0.00 C ATOM 1434 CG LYS A 88 -16.836 16.679 6.887 1.00 0.00 C ATOM 1435 CD LYS A 88 -17.522 15.662 5.991 1.00 0.00 C ATOM 1436 CE LYS A 88 -18.378 16.340 4.932 1.00 0.00 C ATOM 1437 NZ LYS A 88 -17.604 16.622 3.691 1.00 0.00 N ATOM 0 H LYS A 88 -14.725 16.244 10.780 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.716 17.702 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.198 15.419 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.584 15.302 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.587 17.299 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.221 17.343 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.772 15.036 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.144 15.003 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.230 15.704 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.778 17.272 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.222 17.084 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.805 17.249 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.243 15.730 3.296 1.00 0.00 H new ATOM 1451 N GLU A 89 -16.524 19.028 9.380 1.00 0.00 N ATOM 1452 CA GLU A 89 -17.510 19.864 10.053 1.00 0.00 C ATOM 1453 C GLU A 89 -18.766 20.018 9.200 1.00 0.00 C ATOM 1454 O GLU A 89 -18.978 21.053 8.569 1.00 0.00 O ATOM 1455 CB GLU A 89 -16.919 21.241 10.362 1.00 0.00 C ATOM 1456 CG GLU A 89 -17.547 21.917 11.569 1.00 0.00 C ATOM 1457 CD GLU A 89 -16.588 22.855 12.277 1.00 0.00 C ATOM 1458 OE1 GLU A 89 -15.430 22.451 12.513 1.00 0.00 O ATOM 1459 OE2 GLU A 89 -16.996 23.991 12.596 1.00 0.00 O ATOM 0 H GLU A 89 -15.975 19.512 8.669 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.784 19.376 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.847 21.137 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.043 21.884 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.427 22.476 11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.889 21.156 12.270 1.00 0.00 H new ATOM 1466 N SER A 90 -19.596 18.980 9.187 1.00 0.00 N ATOM 1467 CA SER A 90 -20.829 18.996 8.409 1.00 0.00 C ATOM 1468 C SER A 90 -22.049 18.953 9.323 1.00 0.00 C ATOM 1469 O SER A 90 -21.922 18.867 10.544 1.00 0.00 O ATOM 1470 CB SER A 90 -20.861 17.813 7.439 1.00 0.00 C ATOM 1471 OG SER A 90 -21.667 18.101 6.310 1.00 0.00 O ATOM 0 H SER A 90 -19.437 18.117 9.707 1.00 0.00 H new ATOM 0 HA SER A 90 -20.857 19.924 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.847 17.577 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 90 -21.247 16.930 7.949 1.00 0.00 H new ATOM 0 HG SER A 90 -21.670 17.330 5.705 1.00 0.00 H new ATOM 1477 N GLY A 91 -23.234 19.013 8.722 1.00 0.00 N ATOM 1478 CA GLY A 91 -24.461 18.979 9.497 1.00 0.00 C ATOM 1479 C GLY A 91 -25.464 20.020 9.040 1.00 0.00 C ATOM 1480 O GLY A 91 -25.714 21.013 9.722 1.00 0.00 O ATOM 0 H GLY A 91 -23.366 19.084 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -24.909 17.988 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -24.227 19.141 10.549 1.00 0.00 H new ATOM 1484 N PRO A 92 -26.056 19.797 7.857 1.00 0.00 N ATOM 1485 CA PRO A 92 -27.046 20.713 7.283 1.00 0.00 C ATOM 1486 C PRO A 92 -28.361 20.704 8.055 1.00 0.00 C ATOM 1487 O PRO A 92 -28.826 19.653 8.495 1.00 0.00 O ATOM 1488 CB PRO A 92 -27.253 20.170 5.867 1.00 0.00 C ATOM 1489 CG PRO A 92 -26.898 18.726 5.960 1.00 0.00 C ATOM 1490 CD PRO A 92 -25.806 18.633 6.990 1.00 0.00 C ATOM 0 HA PRO A 92 -26.707 21.749 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -28.284 20.304 5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -26.619 20.688 5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -27.762 18.130 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -26.559 18.345 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -25.858 17.698 7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -24.817 18.677 6.533 1.00 0.00 H new ATOM 1498 N SER A 93 -28.956 21.882 8.215 1.00 0.00 N ATOM 1499 CA SER A 93 -30.217 22.009 8.936 1.00 0.00 C ATOM 1500 C SER A 93 -31.333 22.471 8.004 1.00 0.00 C ATOM 1501 O SER A 93 -31.082 23.138 7.000 1.00 0.00 O ATOM 1502 CB SER A 93 -30.067 22.995 10.097 1.00 0.00 C ATOM 1503 OG SER A 93 -31.012 22.726 11.119 1.00 0.00 O ATOM 0 H SER A 93 -28.585 22.761 7.855 1.00 0.00 H new ATOM 0 HA SER A 93 -30.481 21.028 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.058 22.932 10.504 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.200 24.014 9.733 1.00 0.00 H new ATOM 0 HG SER A 93 -30.895 23.368 11.850 1.00 0.00 H new ATOM 1509 N SER A 94 -32.566 22.109 8.343 1.00 0.00 N ATOM 1510 CA SER A 94 -33.721 22.482 7.535 1.00 0.00 C ATOM 1511 C SER A 94 -34.730 23.273 8.361 1.00 0.00 C ATOM 1512 O SER A 94 -34.600 23.386 9.580 1.00 0.00 O ATOM 1513 CB SER A 94 -34.388 21.234 6.953 1.00 0.00 C ATOM 1514 OG SER A 94 -33.595 20.663 5.928 1.00 0.00 O ATOM 0 H SER A 94 -32.791 21.558 9.171 1.00 0.00 H new ATOM 0 HA SER A 94 -33.372 23.113 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 94 -34.548 20.501 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 94 -35.369 21.494 6.556 1.00 0.00 H new ATOM 0 HG SER A 94 -34.042 19.866 5.574 1.00 0.00 H new ATOM 1520 N GLY A 95 -35.738 23.820 7.689 1.00 0.00 N ATOM 1521 CA GLY A 95 -36.756 24.594 8.376 1.00 0.00 C ATOM 1522 C GLY A 95 -38.094 24.554 7.665 1.00 0.00 C ATOM 1523 O GLY A 95 -39.013 25.293 8.016 1.00 0.00 O ATOM 0 H GLY A 95 -35.868 23.741 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.875 24.212 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.425 25.629 8.462 1.00 0.00 H new TER 1527 GLY A 95