USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 944 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 37 CYS SG : rot 160:sc= 0.147 USER MOD Set 2.2: A 43 THR OG1 : rot -109:sc= 0.0187 USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0.0132 USER MOD Set 3.2: A 44 GLN : amide:sc= -3.44 K(o=-3.4,f=-5.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc=-0.00528 (180deg=-0.115) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= -2.41 (180deg=-4.29!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -0.0627 (180deg=-0.525) USER MOD Single : A 51 ASN : amide:sc= -5.14! C(o=-5.1!,f=-17!) USER MOD Single : A 54 ASN : amide:sc= -2.76! C(o=-2.8!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.6) USER MOD Single : A 60 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -96:sc= 0.216 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc=-0.00954 USER MOD Single : A 75 THR OG1 : rot 35:sc= 0.0145 USER MOD Single : A 77 ASN : amide:sc= 0.255 X(o=0.25,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -142:sc= -0.469 (180deg=-1.98!) USER MOD Single : A 83 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.00089) USER MOD Single : A 91 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.9) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= -0.992 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 155:sc= -1.34 (180deg=-2.9!) USER MOD Single : A 122 ASN : amide:sc= -0.0611 K(o=-0.061,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.549 -39.276 -25.786 1.00 0.00 N ATOM 2 CA GLY A 1 -9.990 -38.232 -26.625 1.00 0.00 C ATOM 3 C GLY A 1 -8.757 -37.595 -26.014 1.00 0.00 C ATOM 4 O GLY A 1 -8.863 -36.734 -25.140 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.389 -39.680 -26.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.840 -40.023 -25.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.819 -38.874 -24.865 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.734 -38.650 -27.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.745 -37.464 -26.796 1.00 0.00 H new ATOM 8 N SER A 2 -7.585 -38.019 -26.473 1.00 0.00 N ATOM 9 CA SER A 2 -6.326 -37.489 -25.963 1.00 0.00 C ATOM 10 C SER A 2 -6.044 -36.106 -26.543 1.00 0.00 C ATOM 11 O SER A 2 -5.874 -35.135 -25.807 1.00 0.00 O ATOM 12 CB SER A 2 -5.175 -38.439 -26.296 1.00 0.00 C ATOM 13 OG SER A 2 -3.931 -37.896 -25.888 1.00 0.00 O ATOM 0 H SER A 2 -7.480 -38.729 -27.198 1.00 0.00 H new ATOM 0 HA SER A 2 -6.411 -37.399 -24.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.336 -39.398 -25.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.157 -38.632 -27.369 1.00 0.00 H new ATOM 0 HG SER A 2 -3.212 -38.523 -26.111 1.00 0.00 H new ATOM 19 N SER A 3 -5.995 -36.027 -27.869 1.00 0.00 N ATOM 20 CA SER A 3 -5.729 -34.765 -28.550 1.00 0.00 C ATOM 21 C SER A 3 -6.890 -33.793 -28.364 1.00 0.00 C ATOM 22 O SER A 3 -8.053 -34.159 -28.522 1.00 0.00 O ATOM 23 CB SER A 3 -5.487 -35.008 -30.042 1.00 0.00 C ATOM 24 OG SER A 3 -4.425 -35.924 -30.243 1.00 0.00 O ATOM 0 H SER A 3 -6.136 -36.822 -28.493 1.00 0.00 H new ATOM 0 HA SER A 3 -4.834 -34.324 -28.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.396 -35.394 -30.503 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.255 -34.064 -30.535 1.00 0.00 H new ATOM 0 HG SER A 3 -4.291 -36.064 -31.204 1.00 0.00 H new ATOM 30 N GLY A 4 -6.563 -32.549 -28.025 1.00 0.00 N ATOM 31 CA GLY A 4 -7.587 -31.542 -27.822 1.00 0.00 C ATOM 32 C GLY A 4 -8.049 -31.468 -26.380 1.00 0.00 C ATOM 33 O GLY A 4 -8.014 -32.464 -25.658 1.00 0.00 O ATOM 0 H GLY A 4 -5.607 -32.221 -27.888 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.201 -30.569 -28.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.441 -31.762 -28.463 1.00 0.00 H new ATOM 37 N SER A 5 -8.482 -30.283 -25.959 1.00 0.00 N ATOM 38 CA SER A 5 -8.948 -30.082 -24.592 1.00 0.00 C ATOM 39 C SER A 5 -10.264 -30.814 -24.353 1.00 0.00 C ATOM 40 O SER A 5 -10.470 -31.416 -23.299 1.00 0.00 O ATOM 41 CB SER A 5 -9.123 -28.589 -24.305 1.00 0.00 C ATOM 42 OG SER A 5 -10.258 -28.070 -24.975 1.00 0.00 O ATOM 0 H SER A 5 -8.520 -29.449 -26.545 1.00 0.00 H new ATOM 0 HA SER A 5 -8.197 -30.490 -23.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.227 -28.432 -23.231 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.231 -28.048 -24.621 1.00 0.00 H new ATOM 0 HG SER A 5 -10.348 -27.115 -24.774 1.00 0.00 H new ATOM 48 N SER A 6 -11.153 -30.759 -25.340 1.00 0.00 N ATOM 49 CA SER A 6 -12.452 -31.414 -25.237 1.00 0.00 C ATOM 50 C SER A 6 -13.272 -30.816 -24.097 1.00 0.00 C ATOM 51 O SER A 6 -13.901 -31.539 -23.325 1.00 0.00 O ATOM 52 CB SER A 6 -12.273 -32.917 -25.018 1.00 0.00 C ATOM 53 OG SER A 6 -11.646 -33.524 -26.135 1.00 0.00 O ATOM 0 H SER A 6 -10.997 -30.268 -26.220 1.00 0.00 H new ATOM 0 HA SER A 6 -12.989 -31.252 -26.172 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.674 -33.089 -24.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.244 -33.381 -24.846 1.00 0.00 H new ATOM 0 HG SER A 6 -11.541 -34.484 -25.970 1.00 0.00 H new ATOM 59 N GLY A 7 -13.260 -29.490 -23.999 1.00 0.00 N ATOM 60 CA GLY A 7 -14.006 -28.817 -22.952 1.00 0.00 C ATOM 61 C GLY A 7 -15.344 -28.295 -23.437 1.00 0.00 C ATOM 62 O GLY A 7 -15.431 -27.188 -23.968 1.00 0.00 O ATOM 0 H GLY A 7 -12.747 -28.870 -24.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.167 -29.507 -22.124 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.415 -27.987 -22.565 1.00 0.00 H new ATOM 66 N THR A 8 -16.390 -29.094 -23.255 1.00 0.00 N ATOM 67 CA THR A 8 -17.730 -28.708 -23.680 1.00 0.00 C ATOM 68 C THR A 8 -18.411 -27.838 -22.630 1.00 0.00 C ATOM 69 O THR A 8 -18.843 -26.723 -22.920 1.00 0.00 O ATOM 70 CB THR A 8 -18.609 -29.942 -23.957 1.00 0.00 C ATOM 71 OG1 THR A 8 -18.012 -30.750 -24.977 1.00 0.00 O ATOM 72 CG2 THR A 8 -20.007 -29.525 -24.388 1.00 0.00 C ATOM 0 H THR A 8 -16.335 -30.013 -22.816 1.00 0.00 H new ATOM 0 HA THR A 8 -17.617 -28.138 -24.602 1.00 0.00 H new ATOM 0 HB THR A 8 -18.687 -30.519 -23.036 1.00 0.00 H new ATOM 0 HG1 THR A 8 -18.576 -31.533 -25.146 1.00 0.00 H new ATOM 0 HG21 THR A 8 -20.609 -30.413 -24.578 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.470 -28.935 -23.598 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.944 -28.928 -25.298 1.00 0.00 H new ATOM 80 N GLU A 9 -18.502 -28.355 -21.408 1.00 0.00 N ATOM 81 CA GLU A 9 -19.131 -27.624 -20.315 1.00 0.00 C ATOM 82 C GLU A 9 -20.598 -27.341 -20.623 1.00 0.00 C ATOM 83 O GLU A 9 -21.095 -26.243 -20.373 1.00 0.00 O ATOM 84 CB GLU A 9 -18.390 -26.311 -20.057 1.00 0.00 C ATOM 85 CG GLU A 9 -18.466 -25.842 -18.614 1.00 0.00 C ATOM 86 CD GLU A 9 -17.679 -24.568 -18.372 1.00 0.00 C ATOM 87 OE1 GLU A 9 -16.471 -24.547 -18.688 1.00 0.00 O ATOM 88 OE2 GLU A 9 -18.272 -23.593 -17.866 1.00 0.00 O ATOM 0 H GLU A 9 -18.148 -29.277 -21.151 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.079 -28.244 -19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.343 -26.434 -20.336 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.803 -25.537 -20.704 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.509 -25.677 -18.344 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.088 -26.628 -17.960 1.00 0.00 H new ATOM 95 N ARG A 10 -21.286 -28.339 -21.168 1.00 0.00 N ATOM 96 CA ARG A 10 -22.695 -28.198 -21.512 1.00 0.00 C ATOM 97 C ARG A 10 -23.585 -28.670 -20.366 1.00 0.00 C ATOM 98 O ARG A 10 -24.773 -28.929 -20.557 1.00 0.00 O ATOM 99 CB ARG A 10 -23.015 -28.991 -22.780 1.00 0.00 C ATOM 100 CG ARG A 10 -22.802 -30.489 -22.631 1.00 0.00 C ATOM 101 CD ARG A 10 -24.055 -31.181 -22.117 1.00 0.00 C ATOM 102 NE ARG A 10 -24.012 -32.624 -22.337 1.00 0.00 N ATOM 103 CZ ARG A 10 -24.290 -33.198 -23.502 1.00 0.00 C ATOM 104 NH1 ARG A 10 -24.628 -32.456 -24.547 1.00 0.00 N ATOM 105 NH2 ARG A 10 -24.229 -34.518 -23.624 1.00 0.00 N ATOM 0 H ARG A 10 -20.890 -29.254 -21.381 1.00 0.00 H new ATOM 0 HA ARG A 10 -22.894 -27.142 -21.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -24.051 -28.806 -23.062 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -22.392 -28.623 -23.595 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -22.519 -30.915 -23.593 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -21.975 -30.674 -21.945 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -24.169 -30.980 -21.052 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -24.930 -30.764 -22.616 1.00 0.00 H new ATOM 0 HE ARG A 10 -23.754 -33.224 -21.553 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -24.675 -31.441 -24.458 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -24.841 -32.900 -25.440 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -23.968 -35.093 -22.823 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -24.443 -34.958 -24.519 1.00 0.00 H new ATOM 119 N GLU A 11 -23.001 -28.779 -19.177 1.00 0.00 N ATOM 120 CA GLU A 11 -23.742 -29.222 -18.001 1.00 0.00 C ATOM 121 C GLU A 11 -23.760 -28.136 -16.929 1.00 0.00 C ATOM 122 O GLU A 11 -22.721 -27.780 -16.372 1.00 0.00 O ATOM 123 CB GLU A 11 -23.125 -30.503 -17.435 1.00 0.00 C ATOM 124 CG GLU A 11 -23.476 -31.750 -18.228 1.00 0.00 C ATOM 125 CD GLU A 11 -22.620 -32.943 -17.849 1.00 0.00 C ATOM 126 OE1 GLU A 11 -22.374 -33.136 -16.640 1.00 0.00 O ATOM 127 OE2 GLU A 11 -22.196 -33.683 -18.761 1.00 0.00 O ATOM 0 H GLU A 11 -22.019 -28.567 -19.002 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.769 -29.425 -18.305 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.041 -30.393 -17.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -23.458 -30.632 -16.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -24.526 -31.995 -18.067 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.356 -31.545 -19.292 1.00 0.00 H new ATOM 134 N LYS A 12 -24.948 -27.613 -16.645 1.00 0.00 N ATOM 135 CA LYS A 12 -25.104 -26.569 -15.640 1.00 0.00 C ATOM 136 C LYS A 12 -24.916 -27.132 -14.235 1.00 0.00 C ATOM 137 O LYS A 12 -25.661 -28.013 -13.804 1.00 0.00 O ATOM 138 CB LYS A 12 -26.485 -25.919 -15.760 1.00 0.00 C ATOM 139 CG LYS A 12 -26.608 -24.964 -16.934 1.00 0.00 C ATOM 140 CD LYS A 12 -25.934 -23.633 -16.643 1.00 0.00 C ATOM 141 CE LYS A 12 -25.959 -22.718 -17.857 1.00 0.00 C ATOM 142 NZ LYS A 12 -25.073 -23.217 -18.945 1.00 0.00 N ATOM 0 H LYS A 12 -25.817 -27.896 -17.097 1.00 0.00 H new ATOM 0 HA LYS A 12 -24.337 -25.814 -15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -27.238 -26.701 -15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -26.704 -25.379 -14.839 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.159 -25.414 -17.819 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -27.661 -24.798 -17.160 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -26.436 -23.145 -15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.902 -23.806 -16.338 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -26.980 -22.636 -18.229 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.645 -21.716 -17.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.970 -22.482 -19.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.138 -23.449 -18.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -25.491 -24.069 -19.370 1.00 0.00 H new ATOM 156 N PHE A 13 -23.917 -26.619 -13.525 1.00 0.00 N ATOM 157 CA PHE A 13 -23.631 -27.071 -12.169 1.00 0.00 C ATOM 158 C PHE A 13 -24.611 -26.456 -11.173 1.00 0.00 C ATOM 159 O PHE A 13 -24.875 -25.254 -11.209 1.00 0.00 O ATOM 160 CB PHE A 13 -22.196 -26.710 -11.779 1.00 0.00 C ATOM 161 CG PHE A 13 -21.872 -25.256 -11.969 1.00 0.00 C ATOM 162 CD1 PHE A 13 -22.181 -24.329 -10.987 1.00 0.00 C ATOM 163 CD2 PHE A 13 -21.257 -24.816 -13.131 1.00 0.00 C ATOM 164 CE1 PHE A 13 -21.883 -22.991 -11.158 1.00 0.00 C ATOM 165 CE2 PHE A 13 -20.957 -23.478 -13.307 1.00 0.00 C ATOM 166 CZ PHE A 13 -21.271 -22.565 -12.320 1.00 0.00 C ATOM 0 H PHE A 13 -23.291 -25.889 -13.867 1.00 0.00 H new ATOM 0 HA PHE A 13 -23.745 -28.155 -12.143 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -22.034 -26.977 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -21.505 -27.309 -12.372 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -22.661 -24.656 -10.077 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -21.010 -25.526 -13.907 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -22.128 -22.279 -10.384 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -20.477 -23.147 -14.216 1.00 0.00 H new ATOM 0 HZ PHE A 13 -21.038 -21.519 -12.457 1.00 0.00 H new ATOM 176 N ILE A 14 -25.145 -27.289 -10.287 1.00 0.00 N ATOM 177 CA ILE A 14 -26.095 -26.828 -9.282 1.00 0.00 C ATOM 178 C ILE A 14 -25.439 -26.734 -7.908 1.00 0.00 C ATOM 179 O ILE A 14 -24.713 -27.637 -7.492 1.00 0.00 O ATOM 180 CB ILE A 14 -27.317 -27.761 -9.192 1.00 0.00 C ATOM 181 CG1 ILE A 14 -28.047 -27.811 -10.535 1.00 0.00 C ATOM 182 CG2 ILE A 14 -28.257 -27.297 -8.089 1.00 0.00 C ATOM 183 CD1 ILE A 14 -29.369 -28.544 -10.477 1.00 0.00 C ATOM 0 H ILE A 14 -24.936 -28.287 -10.244 1.00 0.00 H new ATOM 0 HA ILE A 14 -26.427 -25.837 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 14 -26.972 -28.766 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -28.220 -26.793 -10.883 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -27.405 -28.295 -11.271 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -29.116 -27.966 -8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -27.731 -27.308 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -28.598 -26.284 -8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -29.831 -28.540 -11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -29.201 -29.573 -10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -30.029 -28.048 -9.766 1.00 0.00 H new ATOM 195 N VAL A 15 -25.701 -25.636 -7.207 1.00 0.00 N ATOM 196 CA VAL A 15 -25.138 -25.425 -5.879 1.00 0.00 C ATOM 197 C VAL A 15 -26.206 -25.572 -4.800 1.00 0.00 C ATOM 198 O VAL A 15 -27.381 -25.270 -5.009 1.00 0.00 O ATOM 199 CB VAL A 15 -24.491 -24.032 -5.758 1.00 0.00 C ATOM 200 CG1 VAL A 15 -23.358 -23.881 -6.761 1.00 0.00 C ATOM 201 CG2 VAL A 15 -25.534 -22.942 -5.951 1.00 0.00 C ATOM 0 H VAL A 15 -26.300 -24.879 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 15 -24.372 -26.187 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 15 -24.073 -23.930 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -22.913 -22.891 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -22.600 -24.641 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -23.748 -24.003 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -25.060 -21.965 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -25.983 -23.039 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -26.308 -23.040 -5.190 1.00 0.00 H new ATOM 211 N PRO A 16 -25.790 -26.048 -3.617 1.00 0.00 N ATOM 212 CA PRO A 16 -26.695 -26.246 -2.481 1.00 0.00 C ATOM 213 C PRO A 16 -27.180 -24.927 -1.890 1.00 0.00 C ATOM 214 O PRO A 16 -26.763 -23.852 -2.322 1.00 0.00 O ATOM 215 CB PRO A 16 -25.831 -27.000 -1.467 1.00 0.00 C ATOM 216 CG PRO A 16 -24.431 -26.622 -1.806 1.00 0.00 C ATOM 217 CD PRO A 16 -24.404 -26.429 -3.297 1.00 0.00 C ATOM 0 HA PRO A 16 -27.601 -26.779 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -26.081 -26.716 -0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -25.980 -28.077 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -24.137 -25.709 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -23.732 -27.400 -1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -23.696 -25.653 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -24.108 -27.341 -3.815 1.00 0.00 H new ATOM 225 N ILE A 17 -28.063 -25.016 -0.901 1.00 0.00 N ATOM 226 CA ILE A 17 -28.603 -23.829 -0.250 1.00 0.00 C ATOM 227 C ILE A 17 -27.498 -23.014 0.413 1.00 0.00 C ATOM 228 O ILE A 17 -27.277 -21.852 0.071 1.00 0.00 O ATOM 229 CB ILE A 17 -29.659 -24.199 0.808 1.00 0.00 C ATOM 230 CG1 ILE A 17 -30.805 -24.982 0.166 1.00 0.00 C ATOM 231 CG2 ILE A 17 -30.184 -22.946 1.492 1.00 0.00 C ATOM 232 CD1 ILE A 17 -31.573 -25.842 1.145 1.00 0.00 C ATOM 0 H ILE A 17 -28.420 -25.898 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 17 -29.075 -23.229 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 17 -29.190 -24.832 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -31.493 -24.281 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -30.403 -25.616 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -30.930 -23.223 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -29.360 -22.425 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -30.639 -22.290 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -32.370 -26.368 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -30.898 -26.567 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -32.005 -25.211 1.922 1.00 0.00 H new ATOM 244 N LYS A 18 -26.804 -23.632 1.363 1.00 0.00 N ATOM 245 CA LYS A 18 -25.719 -22.966 2.073 1.00 0.00 C ATOM 246 C LYS A 18 -24.368 -23.556 1.679 1.00 0.00 C ATOM 247 O LYS A 18 -24.076 -24.714 1.974 1.00 0.00 O ATOM 248 CB LYS A 18 -25.919 -23.090 3.585 1.00 0.00 C ATOM 249 CG LYS A 18 -25.161 -22.047 4.387 1.00 0.00 C ATOM 250 CD LYS A 18 -25.590 -22.044 5.845 1.00 0.00 C ATOM 251 CE LYS A 18 -25.347 -20.690 6.495 1.00 0.00 C ATOM 252 NZ LYS A 18 -25.415 -20.768 7.980 1.00 0.00 N ATOM 0 H LYS A 18 -26.974 -24.593 1.659 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.731 -21.912 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -26.982 -23.007 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.602 -24.083 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.091 -22.244 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.330 -21.061 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.648 -22.298 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.041 -22.813 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.369 -20.314 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.087 -19.976 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.244 -19.826 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.357 -21.103 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.692 -21.430 8.326 1.00 0.00 H new ATOM 266 N ALA A 19 -23.548 -22.751 1.012 1.00 0.00 N ATOM 267 CA ALA A 19 -22.227 -23.192 0.581 1.00 0.00 C ATOM 268 C ALA A 19 -21.302 -22.004 0.344 1.00 0.00 C ATOM 269 O ALA A 19 -21.423 -21.301 -0.660 1.00 0.00 O ATOM 270 CB ALA A 19 -22.339 -24.037 -0.680 1.00 0.00 C ATOM 0 H ALA A 19 -23.775 -21.790 0.758 1.00 0.00 H new ATOM 0 HA ALA A 19 -21.796 -23.801 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -21.345 -24.360 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -22.958 -24.911 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -22.794 -23.446 -1.475 1.00 0.00 H new ATOM 276 N ARG A 20 -20.378 -21.784 1.274 1.00 0.00 N ATOM 277 CA ARG A 20 -19.433 -20.679 1.167 1.00 0.00 C ATOM 278 C ARG A 20 -18.000 -21.196 1.084 1.00 0.00 C ATOM 279 O ARG A 20 -17.528 -21.895 1.980 1.00 0.00 O ATOM 280 CB ARG A 20 -19.579 -19.737 2.363 1.00 0.00 C ATOM 281 CG ARG A 20 -18.963 -18.366 2.137 1.00 0.00 C ATOM 282 CD ARG A 20 -19.397 -17.377 3.208 1.00 0.00 C ATOM 283 NE ARG A 20 -18.734 -17.626 4.485 1.00 0.00 N ATOM 284 CZ ARG A 20 -19.172 -17.151 5.645 1.00 0.00 C ATOM 285 NH1 ARG A 20 -20.269 -16.407 5.690 1.00 0.00 N ATOM 286 NH2 ARG A 20 -18.513 -17.421 6.765 1.00 0.00 N ATOM 0 H ARG A 20 -20.264 -22.357 2.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.656 -20.130 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.638 -19.617 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.113 -20.196 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.876 -18.450 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.254 -17.992 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.175 -16.363 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.477 -17.439 3.342 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.888 -18.196 4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.779 -16.198 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.603 -16.044 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.669 -17.994 6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.850 -17.056 7.656 1.00 0.00 H new ATOM 300 N GLY A 21 -17.312 -20.846 0.001 1.00 0.00 N ATOM 301 CA GLY A 21 -15.940 -21.284 -0.179 1.00 0.00 C ATOM 302 C GLY A 21 -15.056 -20.922 0.998 1.00 0.00 C ATOM 303 O GLY A 21 -15.535 -20.397 2.003 1.00 0.00 O ATOM 0 H GLY A 21 -17.680 -20.267 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.923 -22.364 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.535 -20.835 -1.086 1.00 0.00 H new ATOM 307 N ALA A 22 -13.763 -21.203 0.874 1.00 0.00 N ATOM 308 CA ALA A 22 -12.811 -20.903 1.936 1.00 0.00 C ATOM 309 C ALA A 22 -12.657 -19.398 2.126 1.00 0.00 C ATOM 310 O ALA A 22 -12.408 -18.664 1.170 1.00 0.00 O ATOM 311 CB ALA A 22 -11.463 -21.539 1.632 1.00 0.00 C ATOM 0 H ALA A 22 -13.351 -21.638 0.049 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.197 -21.323 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.762 -21.307 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.580 -22.620 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.080 -21.147 0.690 1.00 0.00 H new ATOM 317 N ARG A 23 -12.808 -18.944 3.366 1.00 0.00 N ATOM 318 CA ARG A 23 -12.687 -17.526 3.681 1.00 0.00 C ATOM 319 C ARG A 23 -11.431 -16.933 3.048 1.00 0.00 C ATOM 320 O ARG A 23 -11.512 -16.131 2.118 1.00 0.00 O ATOM 321 CB ARG A 23 -12.654 -17.319 5.196 1.00 0.00 C ATOM 322 CG ARG A 23 -14.029 -17.126 5.815 1.00 0.00 C ATOM 323 CD ARG A 23 -14.852 -18.403 5.749 1.00 0.00 C ATOM 324 NE ARG A 23 -14.457 -19.363 6.776 1.00 0.00 N ATOM 325 CZ ARG A 23 -15.268 -20.297 7.260 1.00 0.00 C ATOM 326 NH1 ARG A 23 -16.512 -20.396 6.813 1.00 0.00 N ATOM 327 NH2 ARG A 23 -14.834 -21.135 8.193 1.00 0.00 N ATOM 0 H ARG A 23 -13.014 -19.538 4.169 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.557 -17.013 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.173 -18.179 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.038 -16.449 5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.921 -16.814 6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.555 -16.325 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.908 -18.160 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.738 -18.857 4.765 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.506 -19.314 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.849 -19.754 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.132 -21.114 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.877 -21.062 8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.457 -21.852 8.564 1.00 0.00 H new ATOM 341 N ALA A 24 -10.272 -17.334 3.559 1.00 0.00 N ATOM 342 CA ALA A 24 -9.000 -16.844 3.044 1.00 0.00 C ATOM 343 C ALA A 24 -8.833 -15.353 3.318 1.00 0.00 C ATOM 344 O ALA A 24 -8.473 -14.585 2.426 1.00 0.00 O ATOM 345 CB ALA A 24 -8.892 -17.123 1.552 1.00 0.00 C ATOM 0 H ALA A 24 -10.188 -17.997 4.329 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.200 -17.373 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.937 -16.752 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.957 -18.197 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.705 -16.621 1.028 1.00 0.00 H new ATOM 351 N ILE A 25 -9.099 -14.951 4.556 1.00 0.00 N ATOM 352 CA ILE A 25 -8.978 -13.552 4.947 1.00 0.00 C ATOM 353 C ILE A 25 -7.537 -13.204 5.306 1.00 0.00 C ATOM 354 O ILE A 25 -6.796 -14.039 5.825 1.00 0.00 O ATOM 355 CB ILE A 25 -9.888 -13.221 6.144 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.216 -13.972 6.026 1.00 0.00 C ATOM 357 CG2 ILE A 25 -10.127 -11.721 6.230 1.00 0.00 C ATOM 358 CD1 ILE A 25 -11.839 -13.885 4.651 1.00 0.00 C ATOM 0 H ILE A 25 -9.400 -15.574 5.305 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.290 -12.957 4.089 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.390 -13.542 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.055 -15.020 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.916 -13.572 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.772 -11.504 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.174 -11.207 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.606 -11.376 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.777 -14.440 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.032 -12.841 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.157 -14.311 3.915 1.00 0.00 H new ATOM 370 N LEU A 26 -7.147 -11.965 5.028 1.00 0.00 N ATOM 371 CA LEU A 26 -5.795 -11.504 5.323 1.00 0.00 C ATOM 372 C LEU A 26 -5.822 -10.300 6.259 1.00 0.00 C ATOM 373 O LEU A 26 -6.887 -9.762 6.564 1.00 0.00 O ATOM 374 CB LEU A 26 -5.064 -11.142 4.029 1.00 0.00 C ATOM 375 CG LEU A 26 -4.442 -12.309 3.261 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.311 -12.934 4.063 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.499 -13.351 2.925 1.00 0.00 C ATOM 0 H LEU A 26 -7.748 -11.261 4.599 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.262 -12.315 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.766 -10.632 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.275 -10.429 4.268 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.029 -11.925 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.881 -13.763 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.542 -12.185 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.699 -13.303 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.038 -14.174 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.942 -13.730 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.275 -12.896 2.309 1.00 0.00 H new ATOM 389 N ASP A 27 -4.645 -9.881 6.710 1.00 0.00 N ATOM 390 CA ASP A 27 -4.533 -8.738 7.609 1.00 0.00 C ATOM 391 C ASP A 27 -3.755 -7.603 6.950 1.00 0.00 C ATOM 392 O ASP A 27 -2.527 -7.641 6.874 1.00 0.00 O ATOM 393 CB ASP A 27 -3.849 -9.152 8.913 1.00 0.00 C ATOM 394 CG ASP A 27 -3.732 -8.004 9.896 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.806 -6.838 9.456 1.00 0.00 O ATOM 396 OD2 ASP A 27 -3.566 -8.272 11.104 1.00 0.00 O ATOM 0 H ASP A 27 -3.755 -10.316 6.468 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.539 -8.383 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.412 -9.964 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.855 -9.539 8.691 1.00 0.00 H new ATOM 401 N PHE A 28 -4.478 -6.595 6.474 1.00 0.00 N ATOM 402 CA PHE A 28 -3.856 -5.450 5.820 1.00 0.00 C ATOM 403 C PHE A 28 -4.344 -4.141 6.435 1.00 0.00 C ATOM 404 O PHE A 28 -5.512 -3.992 6.794 1.00 0.00 O ATOM 405 CB PHE A 28 -4.159 -5.466 4.320 1.00 0.00 C ATOM 406 CG PHE A 28 -3.295 -6.420 3.545 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.626 -7.763 3.461 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.154 -5.973 2.899 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.833 -8.642 2.748 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.357 -6.848 2.185 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.697 -8.184 2.109 1.00 0.00 C ATOM 0 H PHE A 28 -5.495 -6.548 6.529 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.778 -5.521 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.205 -5.733 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.027 -4.461 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.513 -8.127 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.884 -4.929 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.101 -9.687 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.469 -6.487 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.076 -8.870 1.551 1.00 0.00 H new ATOM 421 N PRO A 29 -3.428 -3.169 6.560 1.00 0.00 N ATOM 422 CA PRO A 29 -3.740 -1.856 7.131 1.00 0.00 C ATOM 423 C PRO A 29 -4.639 -1.026 6.220 1.00 0.00 C ATOM 424 O PRO A 29 -4.714 -1.272 5.016 1.00 0.00 O ATOM 425 CB PRO A 29 -2.367 -1.195 7.273 1.00 0.00 C ATOM 426 CG PRO A 29 -1.517 -1.863 6.247 1.00 0.00 C ATOM 427 CD PRO A 29 -2.017 -3.278 6.153 1.00 0.00 C ATOM 0 HA PRO A 29 -4.287 -1.940 8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.425 -0.120 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.962 -1.335 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.596 -1.357 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.466 -1.839 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.920 -3.672 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.460 -3.946 6.810 1.00 0.00 H new ATOM 435 N ASP A 30 -5.318 -0.044 6.802 1.00 0.00 N ATOM 436 CA ASP A 30 -6.211 0.823 6.041 1.00 0.00 C ATOM 437 C ASP A 30 -5.497 1.406 4.826 1.00 0.00 C ATOM 438 O ASP A 30 -6.054 1.456 3.729 1.00 0.00 O ATOM 439 CB ASP A 30 -6.738 1.951 6.929 1.00 0.00 C ATOM 440 CG ASP A 30 -7.874 1.499 7.826 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.979 0.282 8.082 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.658 2.363 8.271 1.00 0.00 O ATOM 0 H ASP A 30 -5.267 0.172 7.798 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.051 0.223 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.924 2.336 7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.080 2.774 6.301 1.00 0.00 H new ATOM 447 N LYS A 31 -4.260 1.848 5.028 1.00 0.00 N ATOM 448 CA LYS A 31 -3.468 2.428 3.950 1.00 0.00 C ATOM 449 C LYS A 31 -1.981 2.389 4.286 1.00 0.00 C ATOM 450 O LYS A 31 -1.595 2.047 5.405 1.00 0.00 O ATOM 451 CB LYS A 31 -3.905 3.871 3.689 1.00 0.00 C ATOM 452 CG LYS A 31 -3.868 4.752 4.926 1.00 0.00 C ATOM 453 CD LYS A 31 -4.354 6.160 4.623 1.00 0.00 C ATOM 454 CE LYS A 31 -3.801 7.166 5.621 1.00 0.00 C ATOM 455 NZ LYS A 31 -4.573 7.166 6.895 1.00 0.00 N ATOM 0 H LYS A 31 -3.784 1.815 5.930 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.635 1.836 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.259 4.305 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.918 3.868 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.489 4.312 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.850 4.793 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.051 6.442 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.443 6.183 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.757 6.934 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.825 8.163 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.165 7.865 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.564 7.412 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.529 6.221 7.327 1.00 0.00 H new ATOM 469 N LEU A 32 -1.150 2.742 3.311 1.00 0.00 N ATOM 470 CA LEU A 32 0.296 2.748 3.504 1.00 0.00 C ATOM 471 C LEU A 32 0.804 4.163 3.763 1.00 0.00 C ATOM 472 O LEU A 32 0.492 5.092 3.019 1.00 0.00 O ATOM 473 CB LEU A 32 0.996 2.160 2.278 1.00 0.00 C ATOM 474 CG LEU A 32 2.425 1.659 2.497 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.315 2.787 2.996 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.438 0.494 3.475 1.00 0.00 C ATOM 0 H LEU A 32 -1.453 3.028 2.380 1.00 0.00 H new ATOM 0 HA LEU A 32 0.525 2.134 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.395 1.331 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.014 2.919 1.496 1.00 0.00 H new ATOM 0 HG LEU A 32 2.817 1.309 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.327 2.412 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.331 3.591 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.925 3.168 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.463 0.151 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.026 0.817 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.835 -0.322 3.077 1.00 0.00 H new ATOM 488 N ASN A 33 1.591 4.318 4.823 1.00 0.00 N ATOM 489 CA ASN A 33 2.145 5.620 5.180 1.00 0.00 C ATOM 490 C ASN A 33 3.652 5.652 4.947 1.00 0.00 C ATOM 491 O ASN A 33 4.412 4.963 5.628 1.00 0.00 O ATOM 492 CB ASN A 33 1.836 5.944 6.643 1.00 0.00 C ATOM 493 CG ASN A 33 1.979 7.423 6.949 1.00 0.00 C ATOM 494 OD1 ASN A 33 1.908 8.264 6.053 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.182 7.746 8.221 1.00 0.00 N ATOM 0 H ASN A 33 1.859 3.559 5.449 1.00 0.00 H new ATOM 0 HA ASN A 33 1.681 6.373 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.821 5.624 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.506 5.376 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.286 8.725 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.234 7.015 8.931 1.00 0.00 H new ATOM 502 N PHE A 34 4.079 6.458 3.980 1.00 0.00 N ATOM 503 CA PHE A 34 5.495 6.581 3.657 1.00 0.00 C ATOM 504 C PHE A 34 6.055 7.908 4.161 1.00 0.00 C ATOM 505 O PHE A 34 5.776 8.966 3.597 1.00 0.00 O ATOM 506 CB PHE A 34 5.707 6.466 2.146 1.00 0.00 C ATOM 507 CG PHE A 34 6.088 5.084 1.698 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.379 4.614 1.879 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.156 4.255 1.095 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.733 3.343 1.467 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.504 2.983 0.681 1.00 0.00 C ATOM 512 CZ PHE A 34 6.794 2.526 0.868 1.00 0.00 C ATOM 0 H PHE A 34 3.464 7.036 3.407 1.00 0.00 H new ATOM 0 HA PHE A 34 6.027 5.770 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.792 6.766 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.486 7.166 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.117 5.248 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.146 4.607 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.743 2.989 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.768 2.347 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.068 1.532 0.547 1.00 0.00 H new ATOM 522 N SER A 35 6.847 7.843 5.226 1.00 0.00 N ATOM 523 CA SER A 35 7.443 9.039 5.810 1.00 0.00 C ATOM 524 C SER A 35 8.167 9.859 4.746 1.00 0.00 C ATOM 525 O SER A 35 8.281 9.442 3.593 1.00 0.00 O ATOM 526 CB SER A 35 8.417 8.657 6.926 1.00 0.00 C ATOM 527 OG SER A 35 7.751 7.966 7.969 1.00 0.00 O ATOM 0 H SER A 35 7.091 6.975 5.702 1.00 0.00 H new ATOM 0 HA SER A 35 6.641 9.647 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.212 8.031 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.889 9.555 7.324 1.00 0.00 H new ATOM 0 HG SER A 35 8.395 7.731 8.669 1.00 0.00 H new ATOM 533 N THR A 36 8.656 11.030 5.142 1.00 0.00 N ATOM 534 CA THR A 36 9.368 11.911 4.225 1.00 0.00 C ATOM 535 C THR A 36 10.489 11.167 3.508 1.00 0.00 C ATOM 536 O THR A 36 11.527 10.869 4.100 1.00 0.00 O ATOM 537 CB THR A 36 9.963 13.126 4.961 1.00 0.00 C ATOM 538 OG1 THR A 36 8.987 13.690 5.844 1.00 0.00 O ATOM 539 CG2 THR A 36 10.428 14.184 3.971 1.00 0.00 C ATOM 0 H THR A 36 8.572 11.390 6.093 1.00 0.00 H new ATOM 0 HA THR A 36 8.640 12.260 3.493 1.00 0.00 H new ATOM 0 HB THR A 36 10.823 12.787 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.374 14.461 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.844 15.032 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.191 13.761 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.582 14.518 3.371 1.00 0.00 H new ATOM 547 N CYS A 37 10.274 10.870 2.231 1.00 0.00 N ATOM 548 CA CYS A 37 11.267 10.160 1.433 1.00 0.00 C ATOM 549 C CYS A 37 11.656 10.973 0.202 1.00 0.00 C ATOM 550 O CYS A 37 10.944 11.883 -0.222 1.00 0.00 O ATOM 551 CB CYS A 37 10.728 8.794 1.008 1.00 0.00 C ATOM 552 SG CYS A 37 11.009 7.480 2.218 1.00 0.00 S ATOM 0 H CYS A 37 9.421 11.110 1.726 1.00 0.00 H new ATOM 0 HA CYS A 37 12.156 10.016 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.657 8.880 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.193 8.510 0.064 1.00 0.00 H new ATOM 0 HG CYS A 37 10.183 6.501 1.995 1.00 0.00 H new ATOM 558 N PRO A 38 12.815 10.638 -0.386 1.00 0.00 N ATOM 559 CA PRO A 38 13.326 11.325 -1.576 1.00 0.00 C ATOM 560 C PRO A 38 12.496 11.026 -2.819 1.00 0.00 C ATOM 561 O PRO A 38 12.098 9.884 -3.052 1.00 0.00 O ATOM 562 CB PRO A 38 14.741 10.763 -1.729 1.00 0.00 C ATOM 563 CG PRO A 38 14.692 9.428 -1.068 1.00 0.00 C ATOM 564 CD PRO A 38 13.714 9.564 0.066 1.00 0.00 C ATOM 0 HA PRO A 38 13.293 12.409 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.021 10.675 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.478 11.412 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.372 8.657 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.677 9.137 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.173 8.635 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.214 9.824 0.999 1.00 0.00 H new ATOM 572 N VAL A 39 12.238 12.058 -3.616 1.00 0.00 N ATOM 573 CA VAL A 39 11.456 11.905 -4.837 1.00 0.00 C ATOM 574 C VAL A 39 12.239 11.140 -5.898 1.00 0.00 C ATOM 575 O VAL A 39 11.730 10.194 -6.499 1.00 0.00 O ATOM 576 CB VAL A 39 11.036 13.272 -5.410 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.195 14.255 -5.348 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.532 13.119 -6.836 1.00 0.00 C ATOM 0 H VAL A 39 12.559 13.010 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 39 10.562 11.341 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 39 10.222 13.667 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.880 15.215 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.506 14.386 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.031 13.869 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.240 14.094 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.323 12.702 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.671 12.451 -6.848 1.00 0.00 H new ATOM 588 N LYS A 40 13.480 11.555 -6.124 1.00 0.00 N ATOM 589 CA LYS A 40 14.336 10.909 -7.111 1.00 0.00 C ATOM 590 C LYS A 40 14.761 9.522 -6.639 1.00 0.00 C ATOM 591 O LYS A 40 14.432 8.515 -7.265 1.00 0.00 O ATOM 592 CB LYS A 40 15.573 11.768 -7.384 1.00 0.00 C ATOM 593 CG LYS A 40 15.386 12.761 -8.517 1.00 0.00 C ATOM 594 CD LYS A 40 14.415 13.866 -8.135 1.00 0.00 C ATOM 595 CE LYS A 40 15.122 15.004 -7.413 1.00 0.00 C ATOM 596 NZ LYS A 40 15.470 14.640 -6.012 1.00 0.00 N ATOM 0 H LYS A 40 13.916 12.337 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 40 13.766 10.800 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.836 12.311 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.414 11.115 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.349 13.197 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.017 12.241 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.927 14.249 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.632 13.459 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.029 15.270 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.482 15.886 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.190 15.411 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.968 13.769 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.496 14.485 -5.938 1.00 0.00 H new ATOM 610 N TYR A 41 15.492 9.479 -5.530 1.00 0.00 N ATOM 611 CA TYR A 41 15.963 8.215 -4.975 1.00 0.00 C ATOM 612 C TYR A 41 14.808 7.233 -4.800 1.00 0.00 C ATOM 613 O TYR A 41 13.666 7.634 -4.577 1.00 0.00 O ATOM 614 CB TYR A 41 16.654 8.451 -3.631 1.00 0.00 C ATOM 615 CG TYR A 41 17.909 9.289 -3.734 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.986 8.869 -4.504 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.017 10.499 -3.061 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.135 9.631 -4.601 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.161 11.268 -3.153 1.00 0.00 C ATOM 620 CZ TYR A 41 20.217 10.829 -3.924 1.00 0.00 C ATOM 621 OH TYR A 41 21.359 11.592 -4.017 1.00 0.00 O ATOM 0 H TYR A 41 15.771 10.304 -4.998 1.00 0.00 H new ATOM 0 HA TYR A 41 16.680 7.784 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.955 8.941 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.906 7.488 -3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.925 7.931 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.192 10.845 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.964 9.290 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.228 12.207 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 41 21.253 12.406 -3.481 1.00 0.00 H new ATOM 631 N SER A 42 15.116 5.944 -4.902 1.00 0.00 N ATOM 632 CA SER A 42 14.105 4.903 -4.759 1.00 0.00 C ATOM 633 C SER A 42 13.819 4.623 -3.286 1.00 0.00 C ATOM 634 O SER A 42 14.705 4.727 -2.438 1.00 0.00 O ATOM 635 CB SER A 42 14.562 3.620 -5.454 1.00 0.00 C ATOM 636 OG SER A 42 15.882 3.274 -5.071 1.00 0.00 O ATOM 0 H SER A 42 16.057 5.596 -5.083 1.00 0.00 H new ATOM 0 HA SER A 42 13.187 5.255 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.882 2.805 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.517 3.752 -6.535 1.00 0.00 H new ATOM 0 HG SER A 42 16.150 2.449 -5.528 1.00 0.00 H new ATOM 642 N THR A 43 12.573 4.267 -2.990 1.00 0.00 N ATOM 643 CA THR A 43 12.167 3.973 -1.621 1.00 0.00 C ATOM 644 C THR A 43 11.776 2.507 -1.466 1.00 0.00 C ATOM 645 O THR A 43 11.216 1.906 -2.382 1.00 0.00 O ATOM 646 CB THR A 43 10.984 4.857 -1.183 1.00 0.00 C ATOM 647 OG1 THR A 43 11.402 6.223 -1.090 1.00 0.00 O ATOM 648 CG2 THR A 43 10.432 4.397 0.158 1.00 0.00 C ATOM 0 H THR A 43 11.827 4.175 -3.680 1.00 0.00 H new ATOM 0 HA THR A 43 13.026 4.187 -0.984 1.00 0.00 H new ATOM 0 HB THR A 43 10.196 4.769 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.433 6.492 -0.148 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.598 5.036 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.088 3.366 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.215 4.459 0.914 1.00 0.00 H new ATOM 656 N GLN A 44 12.075 1.940 -0.302 1.00 0.00 N ATOM 657 CA GLN A 44 11.754 0.544 -0.029 1.00 0.00 C ATOM 658 C GLN A 44 11.135 0.389 1.356 1.00 0.00 C ATOM 659 O GLN A 44 11.547 1.050 2.310 1.00 0.00 O ATOM 660 CB GLN A 44 13.011 -0.321 -0.138 1.00 0.00 C ATOM 661 CG GLN A 44 13.445 -0.585 -1.571 1.00 0.00 C ATOM 662 CD GLN A 44 14.033 0.643 -2.239 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.462 1.582 -1.568 1.00 0.00 O ATOM 664 NE2 GLN A 44 14.056 0.641 -3.566 1.00 0.00 N ATOM 0 H GLN A 44 12.538 2.425 0.466 1.00 0.00 H new ATOM 0 HA GLN A 44 11.028 0.213 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.826 0.168 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.831 -1.274 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.183 -1.388 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.588 -0.932 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.689 -0.159 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.440 1.440 -4.071 1.00 0.00 H new ATOM 673 N LYS A 45 10.143 -0.489 1.461 1.00 0.00 N ATOM 674 CA LYS A 45 9.467 -0.732 2.729 1.00 0.00 C ATOM 675 C LYS A 45 8.901 -2.148 2.781 1.00 0.00 C ATOM 676 O LYS A 45 8.645 -2.762 1.745 1.00 0.00 O ATOM 677 CB LYS A 45 8.343 0.286 2.935 1.00 0.00 C ATOM 678 CG LYS A 45 8.193 0.744 4.375 1.00 0.00 C ATOM 679 CD LYS A 45 7.599 2.140 4.458 1.00 0.00 C ATOM 680 CE LYS A 45 6.103 2.127 4.183 1.00 0.00 C ATOM 681 NZ LYS A 45 5.350 1.407 5.248 1.00 0.00 N ATOM 0 H LYS A 45 9.789 -1.044 0.682 1.00 0.00 H new ATOM 0 HA LYS A 45 10.199 -0.622 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.531 1.155 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.402 -0.152 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.556 0.044 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.167 0.732 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.784 2.557 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.096 2.791 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.738 3.152 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.915 1.652 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.351 1.696 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.418 0.382 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.755 1.640 6.177 1.00 0.00 H new ATOM 695 N ILE A 46 8.707 -2.658 3.992 1.00 0.00 N ATOM 696 CA ILE A 46 8.168 -4.000 4.177 1.00 0.00 C ATOM 697 C ILE A 46 6.848 -3.963 4.939 1.00 0.00 C ATOM 698 O ILE A 46 6.666 -3.153 5.849 1.00 0.00 O ATOM 699 CB ILE A 46 9.159 -4.905 4.934 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.476 -5.014 4.163 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.554 -6.282 5.158 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.493 -5.914 4.828 1.00 0.00 C ATOM 0 H ILE A 46 8.915 -2.163 4.859 1.00 0.00 H new ATOM 0 HA ILE A 46 7.999 -4.411 3.182 1.00 0.00 H new ATOM 0 HB ILE A 46 9.366 -4.458 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.271 -5.390 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.904 -4.018 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.266 -6.910 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.641 -6.187 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.321 -6.738 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.401 -5.944 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.727 -5.527 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.084 -6.920 4.918 1.00 0.00 H new ATOM 714 N LEU A 47 5.929 -4.845 4.562 1.00 0.00 N ATOM 715 CA LEU A 47 4.624 -4.914 5.211 1.00 0.00 C ATOM 716 C LEU A 47 4.329 -6.332 5.689 1.00 0.00 C ATOM 717 O LEU A 47 4.100 -7.236 4.884 1.00 0.00 O ATOM 718 CB LEU A 47 3.529 -4.450 4.249 1.00 0.00 C ATOM 719 CG LEU A 47 2.136 -5.035 4.485 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.454 -4.334 5.650 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.290 -4.924 3.225 1.00 0.00 C ATOM 0 H LEU A 47 6.063 -5.522 3.811 1.00 0.00 H new ATOM 0 HA LEU A 47 4.641 -4.254 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.459 -3.364 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.837 -4.697 3.233 1.00 0.00 H new ATOM 0 HG LEU A 47 2.244 -6.091 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.464 -4.763 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.050 -4.465 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.358 -3.271 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.302 -5.345 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.190 -3.875 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.771 -5.472 2.415 1.00 0.00 H new ATOM 733 N LEU A 48 4.333 -6.520 7.004 1.00 0.00 N ATOM 734 CA LEU A 48 4.064 -7.828 7.592 1.00 0.00 C ATOM 735 C LEU A 48 2.582 -8.174 7.493 1.00 0.00 C ATOM 736 O LEU A 48 1.730 -7.459 8.020 1.00 0.00 O ATOM 737 CB LEU A 48 4.509 -7.853 9.055 1.00 0.00 C ATOM 738 CG LEU A 48 4.746 -9.237 9.660 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.428 -9.972 9.847 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.690 -10.048 8.784 1.00 0.00 C ATOM 0 H LEU A 48 4.520 -5.783 7.684 1.00 0.00 H new ATOM 0 HA LEU A 48 4.631 -8.574 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.430 -7.277 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.754 -7.342 9.652 1.00 0.00 H new ATOM 0 HG LEU A 48 5.209 -9.109 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.618 -10.955 10.279 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.784 -9.400 10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.936 -10.089 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.847 -11.030 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.255 -10.166 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.645 -9.530 8.702 1.00 0.00 H new ATOM 752 N VAL A 49 2.281 -9.277 6.815 1.00 0.00 N ATOM 753 CA VAL A 49 0.902 -9.721 6.650 1.00 0.00 C ATOM 754 C VAL A 49 0.662 -11.047 7.362 1.00 0.00 C ATOM 755 O VAL A 49 1.470 -11.971 7.264 1.00 0.00 O ATOM 756 CB VAL A 49 0.537 -9.876 5.161 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.943 -10.193 5.004 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.907 -8.620 4.388 1.00 0.00 C ATOM 0 H VAL A 49 2.974 -9.880 6.371 1.00 0.00 H new ATOM 0 HA VAL A 49 0.267 -8.954 7.094 1.00 0.00 H new ATOM 0 HB VAL A 49 1.108 -10.709 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.182 -10.299 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.173 -11.124 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.536 -9.384 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.642 -8.747 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.365 -7.768 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.979 -8.443 4.473 1.00 0.00 H new ATOM 768 N ARG A 50 -0.454 -11.135 8.078 1.00 0.00 N ATOM 769 CA ARG A 50 -0.800 -12.349 8.807 1.00 0.00 C ATOM 770 C ARG A 50 -2.133 -12.912 8.324 1.00 0.00 C ATOM 771 O ARG A 50 -3.147 -12.216 8.319 1.00 0.00 O ATOM 772 CB ARG A 50 -0.869 -12.065 10.309 1.00 0.00 C ATOM 773 CG ARG A 50 -1.187 -13.292 11.147 1.00 0.00 C ATOM 774 CD ARG A 50 -1.898 -12.917 12.438 1.00 0.00 C ATOM 775 NE ARG A 50 -1.669 -13.898 13.495 1.00 0.00 N ATOM 776 CZ ARG A 50 -2.461 -14.038 14.552 1.00 0.00 C ATOM 777 NH1 ARG A 50 -3.528 -13.263 14.693 1.00 0.00 N ATOM 778 NH2 ARG A 50 -2.186 -14.954 15.472 1.00 0.00 N ATOM 0 H ARG A 50 -1.134 -10.380 8.169 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.023 -13.090 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.084 -11.650 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.628 -11.304 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.812 -13.975 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.264 -13.824 11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.552 -11.938 12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.968 -12.830 12.250 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.856 -14.509 13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.742 -12.557 13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.134 -13.373 15.506 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.366 -15.551 15.368 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.795 -15.061 16.283 1.00 0.00 H new ATOM 792 N ASN A 51 -2.123 -14.178 7.918 1.00 0.00 N ATOM 793 CA ASN A 51 -3.330 -14.834 7.431 1.00 0.00 C ATOM 794 C ASN A 51 -4.249 -15.210 8.589 1.00 0.00 C ATOM 795 O ASN A 51 -3.885 -16.013 9.449 1.00 0.00 O ATOM 796 CB ASN A 51 -2.967 -16.084 6.627 1.00 0.00 C ATOM 797 CG ASN A 51 -4.183 -16.925 6.284 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.070 -17.121 7.115 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.228 -17.425 5.055 1.00 0.00 N ATOM 0 H ASN A 51 -1.292 -14.769 7.917 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.858 -14.134 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.463 -15.787 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.261 -16.687 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.021 -17.998 4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.470 -17.236 4.400 1.00 0.00 H new ATOM 806 N ILE A 52 -5.442 -14.625 8.605 1.00 0.00 N ATOM 807 CA ILE A 52 -6.414 -14.900 9.656 1.00 0.00 C ATOM 808 C ILE A 52 -7.579 -15.729 9.125 1.00 0.00 C ATOM 809 O ILE A 52 -8.611 -15.860 9.781 1.00 0.00 O ATOM 810 CB ILE A 52 -6.962 -13.599 10.270 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.439 -12.650 9.168 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.900 -12.930 11.129 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.039 -11.366 9.694 1.00 0.00 C ATOM 0 H ILE A 52 -5.759 -13.957 7.902 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.892 -15.465 10.428 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.813 -13.845 10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.598 -12.409 8.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.179 -13.163 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.303 -12.012 11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.604 -13.604 11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.031 -12.694 10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.355 -10.743 8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.901 -11.597 10.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.295 -10.831 10.284 1.00 0.00 H new ATOM 825 N GLY A 53 -7.405 -16.288 7.931 1.00 0.00 N ATOM 826 CA GLY A 53 -8.449 -17.099 7.332 1.00 0.00 C ATOM 827 C GLY A 53 -8.675 -18.398 8.080 1.00 0.00 C ATOM 828 O GLY A 53 -8.276 -18.533 9.236 1.00 0.00 O ATOM 0 H GLY A 53 -6.560 -16.194 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.379 -16.530 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.185 -17.320 6.298 1.00 0.00 H new ATOM 832 N ASN A 54 -9.319 -19.355 7.420 1.00 0.00 N ATOM 833 CA ASN A 54 -9.600 -20.649 8.031 1.00 0.00 C ATOM 834 C ASN A 54 -8.562 -21.686 7.611 1.00 0.00 C ATOM 835 O ASN A 54 -7.792 -22.180 8.435 1.00 0.00 O ATOM 836 CB ASN A 54 -11.000 -21.126 7.642 1.00 0.00 C ATOM 837 CG ASN A 54 -11.277 -20.962 6.160 1.00 0.00 C ATOM 838 OD1 ASN A 54 -10.904 -19.956 5.556 1.00 0.00 O ATOM 839 ND2 ASN A 54 -11.934 -21.952 5.568 1.00 0.00 N ATOM 0 H ASN A 54 -9.656 -19.259 6.462 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.551 -20.530 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.112 -22.175 7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.742 -20.567 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.149 -21.898 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.224 -22.767 6.109 1.00 0.00 H new ATOM 846 N LYS A 55 -8.547 -22.011 6.322 1.00 0.00 N ATOM 847 CA LYS A 55 -7.604 -22.987 5.790 1.00 0.00 C ATOM 848 C LYS A 55 -6.398 -22.293 5.164 1.00 0.00 C ATOM 849 O LYS A 55 -5.286 -22.370 5.685 1.00 0.00 O ATOM 850 CB LYS A 55 -8.290 -23.876 4.751 1.00 0.00 C ATOM 851 CG LYS A 55 -7.745 -25.293 4.709 1.00 0.00 C ATOM 852 CD LYS A 55 -7.875 -25.899 3.321 1.00 0.00 C ATOM 853 CE LYS A 55 -9.204 -26.619 3.149 1.00 0.00 C ATOM 854 NZ LYS A 55 -9.297 -27.304 1.830 1.00 0.00 N ATOM 0 H LYS A 55 -9.178 -21.612 5.627 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.256 -23.607 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.358 -23.913 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.177 -23.423 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.697 -25.290 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.281 -25.912 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.786 -25.114 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.056 -26.598 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.327 -27.351 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.020 -25.903 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.217 -27.783 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.205 -26.603 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.534 -28.006 1.749 1.00 0.00 H new ATOM 868 N ASN A 56 -6.627 -21.615 4.044 1.00 0.00 N ATOM 869 CA ASN A 56 -5.559 -20.907 3.347 1.00 0.00 C ATOM 870 C ASN A 56 -6.089 -19.637 2.688 1.00 0.00 C ATOM 871 O ASN A 56 -7.297 -19.414 2.628 1.00 0.00 O ATOM 872 CB ASN A 56 -4.921 -21.814 2.293 1.00 0.00 C ATOM 873 CG ASN A 56 -3.521 -21.366 1.917 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.651 -21.224 2.776 1.00 0.00 O ATOM 875 ND2 ASN A 56 -3.299 -21.141 0.627 1.00 0.00 N ATOM 0 H ASN A 56 -7.542 -21.541 3.600 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.803 -20.626 4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.884 -22.836 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.547 -21.827 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.377 -20.837 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.050 -21.272 -0.050 1.00 0.00 H new ATOM 882 N ALA A 57 -5.175 -18.808 2.194 1.00 0.00 N ATOM 883 CA ALA A 57 -5.549 -17.562 1.537 1.00 0.00 C ATOM 884 C ALA A 57 -4.705 -17.324 0.290 1.00 0.00 C ATOM 885 O ALA A 57 -3.496 -17.559 0.292 1.00 0.00 O ATOM 886 CB ALA A 57 -5.410 -16.394 2.502 1.00 0.00 C ATOM 0 H ALA A 57 -4.170 -18.977 2.237 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.591 -17.642 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.693 -15.470 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.062 -16.552 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.376 -16.322 2.839 1.00 0.00 H new ATOM 892 N VAL A 58 -5.349 -16.857 -0.775 1.00 0.00 N ATOM 893 CA VAL A 58 -4.657 -16.587 -2.030 1.00 0.00 C ATOM 894 C VAL A 58 -4.992 -15.195 -2.554 1.00 0.00 C ATOM 895 O VAL A 58 -6.091 -14.957 -3.056 1.00 0.00 O ATOM 896 CB VAL A 58 -5.018 -17.629 -3.105 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.344 -17.288 -4.426 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.630 -19.026 -2.644 1.00 0.00 C ATOM 0 H VAL A 58 -6.349 -16.658 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.589 -16.646 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.097 -17.609 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.610 -18.035 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.676 -16.305 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.262 -17.279 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.892 -19.750 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.556 -19.064 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.163 -19.267 -1.724 1.00 0.00 H new ATOM 908 N PHE A 59 -4.038 -14.278 -2.434 1.00 0.00 N ATOM 909 CA PHE A 59 -4.232 -12.908 -2.895 1.00 0.00 C ATOM 910 C PHE A 59 -3.275 -12.578 -4.037 1.00 0.00 C ATOM 911 O PHE A 59 -2.138 -13.052 -4.066 1.00 0.00 O ATOM 912 CB PHE A 59 -4.025 -11.925 -1.741 1.00 0.00 C ATOM 913 CG PHE A 59 -2.648 -11.983 -1.143 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.274 -13.043 -0.333 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.728 -10.977 -1.392 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.007 -13.099 0.218 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.460 -11.028 -0.844 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.100 -12.090 -0.037 1.00 0.00 C ATOM 0 H PHE A 59 -3.123 -14.459 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.254 -12.816 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.215 -10.913 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.759 -12.131 -0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.980 -13.835 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.005 -10.144 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.727 -13.931 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.249 -10.238 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.890 -12.131 0.394 1.00 0.00 H new ATOM 928 N HIS A 60 -3.742 -11.763 -4.976 1.00 0.00 N ATOM 929 CA HIS A 60 -2.929 -11.369 -6.121 1.00 0.00 C ATOM 930 C HIS A 60 -2.973 -9.857 -6.324 1.00 0.00 C ATOM 931 O HIS A 60 -3.947 -9.320 -6.851 1.00 0.00 O ATOM 932 CB HIS A 60 -3.412 -12.079 -7.386 1.00 0.00 C ATOM 933 CG HIS A 60 -2.574 -11.790 -8.592 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.480 -12.649 -9.667 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.789 -10.728 -8.892 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.673 -12.129 -10.574 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.241 -10.963 -10.128 1.00 0.00 N ATOM 0 H HIS A 60 -4.680 -11.362 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.898 -11.662 -5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.420 -13.154 -7.209 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.441 -11.782 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.625 -9.858 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.411 -12.580 -11.520 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.604 -10.339 -10.622 1.00 0.00 H new ATOM 946 N ILE A 61 -1.912 -9.177 -5.902 1.00 0.00 N ATOM 947 CA ILE A 61 -1.830 -7.728 -6.038 1.00 0.00 C ATOM 948 C ILE A 61 -1.317 -7.334 -7.418 1.00 0.00 C ATOM 949 O ILE A 61 -0.443 -7.994 -7.981 1.00 0.00 O ATOM 950 CB ILE A 61 -0.910 -7.114 -4.966 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.279 -7.647 -3.580 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.002 -5.595 -4.997 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.117 -7.668 -2.612 1.00 0.00 C ATOM 0 H ILE A 61 -1.097 -9.606 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.840 -7.340 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 61 0.119 -7.401 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.077 -7.032 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.675 -8.657 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.347 -5.175 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.696 -5.232 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.030 -5.289 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.452 -8.057 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.674 -8.306 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.265 -6.656 -2.481 1.00 0.00 H new ATOM 965 N LYS A 62 -1.865 -6.252 -7.960 1.00 0.00 N ATOM 966 CA LYS A 62 -1.462 -5.765 -9.274 1.00 0.00 C ATOM 967 C LYS A 62 -1.428 -4.241 -9.303 1.00 0.00 C ATOM 968 O LYS A 62 -2.454 -3.582 -9.131 1.00 0.00 O ATOM 969 CB LYS A 62 -2.420 -6.285 -10.349 1.00 0.00 C ATOM 970 CG LYS A 62 -1.777 -6.429 -11.718 1.00 0.00 C ATOM 971 CD LYS A 62 -1.543 -5.077 -12.369 1.00 0.00 C ATOM 972 CE LYS A 62 -1.022 -5.225 -13.790 1.00 0.00 C ATOM 973 NZ LYS A 62 -2.127 -5.422 -14.769 1.00 0.00 N ATOM 0 H LYS A 62 -2.591 -5.695 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.458 -6.137 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.812 -7.253 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.270 -5.607 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.828 -6.956 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.416 -7.037 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.474 -4.511 -12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.829 -4.505 -11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.450 -4.337 -14.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.338 -6.072 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.730 -5.519 -15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.657 -6.283 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.766 -4.602 -14.741 1.00 0.00 H new ATOM 987 N THR A 63 -0.241 -3.684 -9.524 1.00 0.00 N ATOM 988 CA THR A 63 -0.073 -2.237 -9.576 1.00 0.00 C ATOM 989 C THR A 63 0.994 -1.843 -10.591 1.00 0.00 C ATOM 990 O THR A 63 1.828 -2.662 -10.978 1.00 0.00 O ATOM 991 CB THR A 63 0.311 -1.666 -8.198 1.00 0.00 C ATOM 992 OG1 THR A 63 0.274 -0.235 -8.233 1.00 0.00 O ATOM 993 CG2 THR A 63 1.699 -2.133 -7.786 1.00 0.00 C ATOM 0 H THR A 63 0.618 -4.214 -9.670 1.00 0.00 H new ATOM 0 HA THR A 63 -1.032 -1.819 -9.880 1.00 0.00 H new ATOM 0 HB THR A 63 -0.409 -2.030 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.174 0.111 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.948 -1.717 -6.810 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.715 -3.222 -7.731 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.430 -1.796 -8.521 1.00 0.00 H new ATOM 1001 N CYS A 64 0.962 -0.586 -11.018 1.00 0.00 N ATOM 1002 CA CYS A 64 1.927 -0.084 -11.990 1.00 0.00 C ATOM 1003 C CYS A 64 2.701 1.102 -11.424 1.00 0.00 C ATOM 1004 O CYS A 64 2.201 1.830 -10.566 1.00 0.00 O ATOM 1005 CB CYS A 64 1.216 0.324 -13.281 1.00 0.00 C ATOM 1006 SG CYS A 64 -0.079 1.564 -13.051 1.00 0.00 S ATOM 0 H CYS A 64 0.279 0.104 -10.707 1.00 0.00 H new ATOM 0 HA CYS A 64 2.634 -0.884 -12.211 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.954 0.712 -13.983 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.777 -0.563 -13.737 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.619 1.845 -14.199 1.00 0.00 H new ATOM 1012 N ARG A 65 3.923 1.290 -11.910 1.00 0.00 N ATOM 1013 CA ARG A 65 4.767 2.387 -11.450 1.00 0.00 C ATOM 1014 C ARG A 65 4.026 3.717 -11.538 1.00 0.00 C ATOM 1015 O ARG A 65 3.026 3.854 -12.242 1.00 0.00 O ATOM 1016 CB ARG A 65 6.052 2.451 -12.278 1.00 0.00 C ATOM 1017 CG ARG A 65 7.202 1.656 -11.682 1.00 0.00 C ATOM 1018 CD ARG A 65 8.427 1.686 -12.583 1.00 0.00 C ATOM 1019 NE ARG A 65 9.279 0.517 -12.386 1.00 0.00 N ATOM 1020 CZ ARG A 65 9.088 -0.644 -13.003 1.00 0.00 C ATOM 1021 NH1 ARG A 65 8.078 -0.790 -13.850 1.00 0.00 N ATOM 1022 NH2 ARG A 65 9.907 -1.662 -12.772 1.00 0.00 N ATOM 0 H ARG A 65 4.351 0.698 -12.622 1.00 0.00 H new ATOM 0 HA ARG A 65 5.023 2.202 -10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.846 2.079 -13.282 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.356 3.493 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.459 2.063 -10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.889 0.624 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.110 1.732 -13.625 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.001 2.591 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 65 10.064 0.596 -11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.446 -0.010 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.934 -1.682 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.684 -1.554 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.760 -2.553 -13.246 1.00 0.00 H new ATOM 1036 N PRO A 66 4.526 4.723 -10.805 1.00 0.00 N ATOM 1037 CA PRO A 66 5.716 4.573 -9.962 1.00 0.00 C ATOM 1038 C PRO A 66 5.458 3.686 -8.748 1.00 0.00 C ATOM 1039 O PRO A 66 6.358 3.440 -7.945 1.00 0.00 O ATOM 1040 CB PRO A 66 6.023 6.006 -9.522 1.00 0.00 C ATOM 1041 CG PRO A 66 4.714 6.714 -9.598 1.00 0.00 C ATOM 1042 CD PRO A 66 3.969 6.085 -10.742 1.00 0.00 C ATOM 0 HA PRO A 66 6.536 4.092 -10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.429 6.031 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.763 6.470 -10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.159 6.609 -8.666 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.857 7.782 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.894 6.071 -10.562 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.130 6.628 -11.673 1.00 0.00 H new ATOM 1050 N PHE A 67 4.225 3.209 -8.621 1.00 0.00 N ATOM 1051 CA PHE A 67 3.848 2.350 -7.504 1.00 0.00 C ATOM 1052 C PHE A 67 3.942 0.878 -7.895 1.00 0.00 C ATOM 1053 O PHE A 67 3.245 0.419 -8.800 1.00 0.00 O ATOM 1054 CB PHE A 67 2.428 2.676 -7.038 1.00 0.00 C ATOM 1055 CG PHE A 67 2.375 3.727 -5.967 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.116 3.588 -4.804 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.585 4.855 -6.122 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.070 4.554 -3.816 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.535 5.824 -5.138 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.278 5.673 -3.983 1.00 0.00 C ATOM 0 H PHE A 67 3.469 3.402 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 67 4.543 2.536 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.841 3.011 -7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.958 1.765 -6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.737 2.715 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.002 4.978 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.653 4.434 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.916 6.699 -5.272 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.240 6.429 -3.212 1.00 0.00 H new ATOM 1070 N SER A 68 4.809 0.143 -7.206 1.00 0.00 N ATOM 1071 CA SER A 68 4.998 -1.276 -7.483 1.00 0.00 C ATOM 1072 C SER A 68 5.441 -2.021 -6.227 1.00 0.00 C ATOM 1073 O SER A 68 5.971 -1.421 -5.292 1.00 0.00 O ATOM 1074 CB SER A 68 6.033 -1.467 -8.594 1.00 0.00 C ATOM 1075 OG SER A 68 5.602 -0.863 -9.801 1.00 0.00 O ATOM 0 H SER A 68 5.392 0.507 -6.452 1.00 0.00 H new ATOM 0 HA SER A 68 4.043 -1.687 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.985 -1.034 -8.287 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.204 -2.531 -8.757 1.00 0.00 H new ATOM 0 HG SER A 68 6.094 -1.251 -10.555 1.00 0.00 H new ATOM 1081 N ILE A 69 5.218 -3.330 -6.214 1.00 0.00 N ATOM 1082 CA ILE A 69 5.595 -4.157 -5.075 1.00 0.00 C ATOM 1083 C ILE A 69 5.937 -5.577 -5.515 1.00 0.00 C ATOM 1084 O ILE A 69 5.611 -5.987 -6.628 1.00 0.00 O ATOM 1085 CB ILE A 69 4.469 -4.215 -4.025 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.514 -5.370 -4.333 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.715 -2.894 -3.983 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.814 -5.236 -5.667 1.00 0.00 C ATOM 0 H ILE A 69 4.778 -3.841 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 69 6.476 -3.696 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 69 4.914 -4.388 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.072 -6.306 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.765 -5.432 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.923 -2.951 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.403 -2.090 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.278 -2.693 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.153 -6.090 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.228 -4.317 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.555 -5.205 -6.465 1.00 0.00 H new ATOM 1100 N GLU A 70 6.596 -6.321 -4.632 1.00 0.00 N ATOM 1101 CA GLU A 70 6.982 -7.696 -4.930 1.00 0.00 C ATOM 1102 C GLU A 70 7.215 -8.486 -3.645 1.00 0.00 C ATOM 1103 O GLU A 70 7.777 -7.984 -2.671 1.00 0.00 O ATOM 1104 CB GLU A 70 8.245 -7.719 -5.792 1.00 0.00 C ATOM 1105 CG GLU A 70 9.160 -8.897 -5.501 1.00 0.00 C ATOM 1106 CD GLU A 70 10.074 -9.228 -6.665 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.843 -8.693 -7.769 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.018 -10.021 -6.471 1.00 0.00 O ATOM 0 H GLU A 70 6.873 -5.996 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 70 6.166 -8.164 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.957 -7.745 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.798 -6.793 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.764 -8.674 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.555 -9.771 -5.259 1.00 0.00 H new ATOM 1115 N PRO A 71 6.772 -9.752 -3.642 1.00 0.00 N ATOM 1116 CA PRO A 71 6.102 -10.360 -4.795 1.00 0.00 C ATOM 1117 C PRO A 71 4.715 -9.773 -5.034 1.00 0.00 C ATOM 1118 O PRO A 71 4.049 -9.329 -4.100 1.00 0.00 O ATOM 1119 CB PRO A 71 5.997 -11.837 -4.407 1.00 0.00 C ATOM 1120 CG PRO A 71 6.014 -11.839 -2.917 1.00 0.00 C ATOM 1121 CD PRO A 71 6.892 -10.688 -2.511 1.00 0.00 C ATOM 0 HA PRO A 71 6.649 -10.187 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.081 -12.284 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.828 -12.413 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.007 -11.723 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.404 -12.782 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.556 -10.236 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.924 -11.004 -2.359 1.00 0.00 H new ATOM 1129 N ALA A 72 4.286 -9.774 -6.292 1.00 0.00 N ATOM 1130 CA ALA A 72 2.977 -9.244 -6.654 1.00 0.00 C ATOM 1131 C ALA A 72 1.863 -10.190 -6.220 1.00 0.00 C ATOM 1132 O ALA A 72 0.725 -9.768 -6.008 1.00 0.00 O ATOM 1133 CB ALA A 72 2.905 -8.992 -8.153 1.00 0.00 C ATOM 0 H ALA A 72 4.826 -10.136 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 72 2.838 -8.298 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.922 -8.596 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.671 -8.271 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.070 -9.928 -8.688 1.00 0.00 H new ATOM 1139 N ILE A 73 2.196 -11.469 -6.091 1.00 0.00 N ATOM 1140 CA ILE A 73 1.223 -12.475 -5.682 1.00 0.00 C ATOM 1141 C ILE A 73 1.867 -13.537 -4.798 1.00 0.00 C ATOM 1142 O ILE A 73 3.023 -13.907 -4.997 1.00 0.00 O ATOM 1143 CB ILE A 73 0.576 -13.160 -6.900 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.303 -14.328 -6.449 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.647 -13.640 -7.869 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.140 -14.920 -7.561 1.00 0.00 C ATOM 0 H ILE A 73 3.133 -11.834 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 73 0.451 -11.954 -5.115 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.053 -12.434 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.331 -15.108 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.963 -13.988 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.174 -14.122 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.236 -12.789 -8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.300 -14.353 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.737 -15.743 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.800 -14.154 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.486 -15.291 -8.351 1.00 0.00 H new ATOM 1158 N GLY A 74 1.109 -14.025 -3.821 1.00 0.00 N ATOM 1159 CA GLY A 74 1.623 -15.042 -2.921 1.00 0.00 C ATOM 1160 C GLY A 74 0.532 -15.681 -2.086 1.00 0.00 C ATOM 1161 O GLY A 74 -0.587 -15.172 -2.016 1.00 0.00 O ATOM 0 H GLY A 74 0.149 -13.735 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.131 -15.813 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.367 -14.596 -2.261 1.00 0.00 H new ATOM 1165 N THR A 75 0.856 -16.803 -1.450 1.00 0.00 N ATOM 1166 CA THR A 75 -0.105 -17.515 -0.617 1.00 0.00 C ATOM 1167 C THR A 75 0.367 -17.584 0.831 1.00 0.00 C ATOM 1168 O THR A 75 1.524 -17.908 1.103 1.00 0.00 O ATOM 1169 CB THR A 75 -0.346 -18.945 -1.136 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.906 -19.604 -1.357 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.149 -18.924 -2.428 1.00 0.00 C ATOM 0 H THR A 75 1.777 -17.238 -1.496 1.00 0.00 H new ATOM 0 HA THR A 75 -1.040 -16.957 -0.665 1.00 0.00 H new ATOM 0 HB THR A 75 -0.915 -19.490 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.551 -19.317 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.306 -19.945 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.113 -18.449 -2.249 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.603 -18.363 -3.187 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.535 -17.280 1.757 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.212 -17.308 3.179 1.00 0.00 C ATOM 1181 C LEU A 76 -1.060 -18.344 3.910 1.00 0.00 C ATOM 1182 O LEU A 76 -2.235 -18.531 3.597 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.427 -15.927 3.799 1.00 0.00 C ATOM 1184 CG LEU A 76 0.273 -15.674 5.135 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.760 -15.974 5.024 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.049 -14.240 5.592 1.00 0.00 C ATOM 0 H LEU A 76 -1.497 -17.011 1.549 1.00 0.00 H new ATOM 0 HA LEU A 76 0.837 -17.586 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.089 -15.174 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.497 -15.776 3.938 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.157 -16.343 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.241 -15.788 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.901 -17.018 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.205 -15.331 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.554 -14.078 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.451 -13.554 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.019 -14.059 5.713 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.456 -19.013 4.887 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.157 -20.029 5.664 1.00 0.00 C ATOM 1200 C ASN A 77 -1.722 -19.436 6.951 1.00 0.00 C ATOM 1201 O ASN A 77 -1.107 -18.567 7.569 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.214 -21.188 5.994 1.00 0.00 C ATOM 1203 CG ASN A 77 0.519 -21.704 4.771 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.066 -22.371 3.918 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.808 -21.396 4.681 1.00 0.00 N ATOM 0 H ASN A 77 0.517 -18.870 5.159 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.986 -20.403 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.512 -20.861 6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.785 -22.001 6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.354 -21.715 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.252 -20.840 5.412 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.898 -19.911 7.349 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.546 -19.430 8.563 1.00 0.00 C ATOM 1214 C VAL A 78 -2.599 -19.498 9.756 1.00 0.00 C ATOM 1215 O VAL A 78 -1.970 -20.526 10.004 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.815 -20.242 8.882 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.439 -19.768 10.185 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.812 -20.144 7.737 1.00 0.00 C ATOM 0 H VAL A 78 -3.421 -20.629 6.848 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.824 -18.392 8.382 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.535 -21.289 9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.334 -20.353 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.724 -19.895 10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.706 -18.715 10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.703 -20.724 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.089 -19.101 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.360 -20.537 6.826 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.502 -18.395 10.492 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.630 -18.351 11.650 1.00 0.00 C ATOM 1230 C GLY A 79 -0.249 -17.822 11.317 1.00 0.00 C ATOM 1231 O GLY A 79 0.358 -17.107 12.114 1.00 0.00 O ATOM 0 H GLY A 79 -3.012 -17.531 10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.081 -17.722 12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.540 -19.352 12.071 1.00 0.00 H new ATOM 1235 N GLU A 80 0.250 -18.176 10.136 1.00 0.00 N ATOM 1236 CA GLU A 80 1.569 -17.733 9.701 1.00 0.00 C ATOM 1237 C GLU A 80 1.510 -16.314 9.143 1.00 0.00 C ATOM 1238 O GLU A 80 0.435 -15.728 9.019 1.00 0.00 O ATOM 1239 CB GLU A 80 2.128 -18.686 8.643 1.00 0.00 C ATOM 1240 CG GLU A 80 2.081 -20.148 9.055 1.00 0.00 C ATOM 1241 CD GLU A 80 3.164 -20.976 8.391 1.00 0.00 C ATOM 1242 OE1 GLU A 80 3.414 -20.771 7.185 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.762 -21.830 9.079 1.00 0.00 O ATOM 0 H GLU A 80 -0.239 -18.768 9.464 1.00 0.00 H new ATOM 0 HA GLU A 80 2.229 -17.737 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.565 -18.560 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.160 -18.411 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.186 -20.220 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.105 -20.562 8.801 1.00 0.00 H new ATOM 1250 N SER A 81 2.675 -15.767 8.808 1.00 0.00 N ATOM 1251 CA SER A 81 2.757 -14.416 8.267 1.00 0.00 C ATOM 1252 C SER A 81 3.805 -14.336 7.161 1.00 0.00 C ATOM 1253 O SER A 81 4.538 -15.293 6.916 1.00 0.00 O ATOM 1254 CB SER A 81 3.096 -13.419 9.378 1.00 0.00 C ATOM 1255 OG SER A 81 2.342 -13.685 10.548 1.00 0.00 O ATOM 0 H SER A 81 3.574 -16.239 8.902 1.00 0.00 H new ATOM 0 HA SER A 81 1.786 -14.162 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.160 -13.473 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.895 -12.404 9.034 1.00 0.00 H new ATOM 0 HG SER A 81 2.577 -13.036 11.243 1.00 0.00 H new ATOM 1261 N MET A 82 3.867 -13.188 6.495 1.00 0.00 N ATOM 1262 CA MET A 82 4.825 -12.982 5.415 1.00 0.00 C ATOM 1263 C MET A 82 5.189 -11.506 5.285 1.00 0.00 C ATOM 1264 O MET A 82 4.494 -10.638 5.812 1.00 0.00 O ATOM 1265 CB MET A 82 4.254 -13.497 4.093 1.00 0.00 C ATOM 1266 CG MET A 82 3.057 -12.703 3.598 1.00 0.00 C ATOM 1267 SD MET A 82 2.099 -13.592 2.356 1.00 0.00 S ATOM 1268 CE MET A 82 3.124 -13.359 0.906 1.00 0.00 C ATOM 0 H MET A 82 3.265 -12.386 6.684 1.00 0.00 H new ATOM 0 HA MET A 82 5.730 -13.541 5.654 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.036 -13.471 3.334 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.963 -14.540 4.214 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.413 -12.460 4.443 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.401 -11.758 3.178 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.490 -13.207 0.033 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.761 -12.486 1.047 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.746 -14.241 0.754 1.00 0.00 H new ATOM 1278 N GLN A 83 6.281 -11.230 4.580 1.00 0.00 N ATOM 1279 CA GLN A 83 6.736 -9.859 4.382 1.00 0.00 C ATOM 1280 C GLN A 83 6.611 -9.450 2.918 1.00 0.00 C ATOM 1281 O GLN A 83 6.989 -10.201 2.018 1.00 0.00 O ATOM 1282 CB GLN A 83 8.187 -9.709 4.843 1.00 0.00 C ATOM 1283 CG GLN A 83 8.331 -9.520 6.345 1.00 0.00 C ATOM 1284 CD GLN A 83 9.749 -9.756 6.829 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.272 -10.867 6.737 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.379 -8.709 7.348 1.00 0.00 N ATOM 0 H GLN A 83 6.867 -11.937 4.136 1.00 0.00 H new ATOM 0 HA GLN A 83 6.103 -9.203 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.749 -10.593 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.635 -8.856 4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.024 -8.509 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.657 -10.204 6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.907 -7.806 7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.335 -8.807 7.690 1.00 0.00 H new ATOM 1295 N LEU A 84 6.078 -8.256 2.686 1.00 0.00 N ATOM 1296 CA LEU A 84 5.902 -7.746 1.331 1.00 0.00 C ATOM 1297 C LEU A 84 6.678 -6.448 1.132 1.00 0.00 C ATOM 1298 O LEU A 84 6.435 -5.457 1.820 1.00 0.00 O ATOM 1299 CB LEU A 84 4.418 -7.516 1.040 1.00 0.00 C ATOM 1300 CG LEU A 84 3.522 -8.753 1.104 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.055 -8.353 1.072 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.842 -9.703 -0.042 1.00 0.00 C ATOM 0 H LEU A 84 5.760 -7.622 3.419 1.00 0.00 H new ATOM 0 HA LEU A 84 6.291 -8.490 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.039 -6.780 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.327 -7.077 0.046 1.00 0.00 H new ATOM 0 HG LEU A 84 3.716 -9.270 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.433 -9.247 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.834 -7.712 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.845 -7.813 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.195 -10.578 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.677 -9.195 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.884 -10.017 0.026 1.00 0.00 H new ATOM 1314 N GLU A 85 7.611 -6.461 0.186 1.00 0.00 N ATOM 1315 CA GLU A 85 8.422 -5.284 -0.104 1.00 0.00 C ATOM 1316 C GLU A 85 7.744 -4.400 -1.147 1.00 0.00 C ATOM 1317 O GLU A 85 7.513 -4.824 -2.280 1.00 0.00 O ATOM 1318 CB GLU A 85 9.809 -5.701 -0.596 1.00 0.00 C ATOM 1319 CG GLU A 85 10.769 -6.063 0.525 1.00 0.00 C ATOM 1320 CD GLU A 85 11.949 -6.883 0.040 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.299 -6.772 -1.154 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.523 -7.635 0.855 1.00 0.00 O ATOM 0 H GLU A 85 7.824 -7.273 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 85 8.529 -4.712 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.706 -6.555 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.237 -4.887 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.134 -5.150 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.233 -6.623 1.291 1.00 0.00 H new ATOM 1329 N VAL A 86 7.428 -3.170 -0.757 1.00 0.00 N ATOM 1330 CA VAL A 86 6.778 -2.225 -1.657 1.00 0.00 C ATOM 1331 C VAL A 86 7.751 -1.147 -2.119 1.00 0.00 C ATOM 1332 O VAL A 86 8.434 -0.524 -1.306 1.00 0.00 O ATOM 1333 CB VAL A 86 5.565 -1.554 -0.985 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.996 -0.463 -1.879 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.502 -2.588 -0.649 1.00 0.00 C ATOM 0 H VAL A 86 7.612 -2.804 0.177 1.00 0.00 H new ATOM 0 HA VAL A 86 6.436 -2.795 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 86 5.896 -1.093 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.140 -0.000 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.760 0.292 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.679 -0.898 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.653 -2.096 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.172 -3.081 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.918 -3.330 0.033 1.00 0.00 H new ATOM 1345 N GLU A 87 7.809 -0.931 -3.429 1.00 0.00 N ATOM 1346 CA GLU A 87 8.699 0.073 -3.999 1.00 0.00 C ATOM 1347 C GLU A 87 7.903 1.220 -4.615 1.00 0.00 C ATOM 1348 O GLU A 87 6.931 0.999 -5.336 1.00 0.00 O ATOM 1349 CB GLU A 87 9.606 -0.559 -5.058 1.00 0.00 C ATOM 1350 CG GLU A 87 10.873 0.236 -5.327 1.00 0.00 C ATOM 1351 CD GLU A 87 11.621 -0.256 -6.551 1.00 0.00 C ATOM 1352 OE1 GLU A 87 12.323 -1.284 -6.443 1.00 0.00 O ATOM 1353 OE2 GLU A 87 11.504 0.385 -7.616 1.00 0.00 O ATOM 0 H GLU A 87 7.250 -1.438 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 87 9.316 0.473 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.879 -1.564 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.047 -0.662 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.617 1.287 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.527 0.175 -4.457 1.00 0.00 H new ATOM 1360 N PHE A 88 8.323 2.447 -4.324 1.00 0.00 N ATOM 1361 CA PHE A 88 7.649 3.630 -4.847 1.00 0.00 C ATOM 1362 C PHE A 88 8.599 4.824 -4.887 1.00 0.00 C ATOM 1363 O PHE A 88 9.185 5.198 -3.871 1.00 0.00 O ATOM 1364 CB PHE A 88 6.426 3.966 -3.992 1.00 0.00 C ATOM 1365 CG PHE A 88 5.998 5.402 -4.095 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.389 5.876 -5.245 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.206 6.278 -3.041 1.00 0.00 C ATOM 1368 CE1 PHE A 88 4.994 7.197 -5.343 1.00 0.00 C ATOM 1369 CE2 PHE A 88 5.813 7.599 -3.133 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.208 8.060 -4.286 1.00 0.00 C ATOM 0 H PHE A 88 9.127 2.648 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 88 7.324 3.412 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.596 3.326 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.647 3.735 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.221 5.206 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.681 5.924 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.519 7.554 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.979 8.271 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.903 9.093 -4.361 1.00 0.00 H new ATOM 1380 N GLU A 89 8.746 5.416 -6.068 1.00 0.00 N ATOM 1381 CA GLU A 89 9.625 6.566 -6.241 1.00 0.00 C ATOM 1382 C GLU A 89 9.143 7.453 -7.385 1.00 0.00 C ATOM 1383 O GLU A 89 9.344 7.154 -8.562 1.00 0.00 O ATOM 1384 CB GLU A 89 11.059 6.104 -6.508 1.00 0.00 C ATOM 1385 CG GLU A 89 11.182 5.152 -7.686 1.00 0.00 C ATOM 1386 CD GLU A 89 10.351 3.896 -7.510 1.00 0.00 C ATOM 1387 OE1 GLU A 89 10.484 3.241 -6.454 1.00 0.00 O ATOM 1388 OE2 GLU A 89 9.570 3.567 -8.426 1.00 0.00 O ATOM 0 H GLU A 89 8.268 5.118 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 89 9.604 7.148 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.685 6.977 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.447 5.615 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.871 5.664 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.228 4.876 -7.817 1.00 0.00 H new ATOM 1395 N PRO A 90 8.490 8.570 -7.033 1.00 0.00 N ATOM 1396 CA PRO A 90 7.965 9.523 -8.015 1.00 0.00 C ATOM 1397 C PRO A 90 9.074 10.282 -8.736 1.00 0.00 C ATOM 1398 O PRO A 90 10.257 10.003 -8.542 1.00 0.00 O ATOM 1399 CB PRO A 90 7.127 10.482 -7.166 1.00 0.00 C ATOM 1400 CG PRO A 90 7.724 10.402 -5.803 1.00 0.00 C ATOM 1401 CD PRO A 90 8.214 8.989 -5.648 1.00 0.00 C ATOM 0 HA PRO A 90 7.401 9.026 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.170 11.498 -7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.077 10.188 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.543 11.113 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.986 10.645 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.109 8.940 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.464 8.353 -5.178 1.00 0.00 H new ATOM 1409 N GLN A 91 8.683 11.241 -9.569 1.00 0.00 N ATOM 1410 CA GLN A 91 9.645 12.040 -10.319 1.00 0.00 C ATOM 1411 C GLN A 91 9.588 13.503 -9.894 1.00 0.00 C ATOM 1412 O GLN A 91 10.609 14.190 -9.859 1.00 0.00 O ATOM 1413 CB GLN A 91 9.377 11.921 -11.821 1.00 0.00 C ATOM 1414 CG GLN A 91 10.075 10.738 -12.472 1.00 0.00 C ATOM 1415 CD GLN A 91 11.564 10.711 -12.191 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.363 11.237 -12.966 1.00 0.00 O ATOM 1417 NE2 GLN A 91 11.946 10.097 -11.077 1.00 0.00 N ATOM 0 H GLN A 91 7.707 11.483 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 91 10.643 11.658 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.303 11.833 -11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.700 12.838 -12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.625 9.813 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.913 10.774 -13.549 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.250 9.674 -10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.936 10.048 -10.835 1.00 0.00 H new ATOM 1426 N SER A 92 8.387 13.974 -9.573 1.00 0.00 N ATOM 1427 CA SER A 92 8.196 15.358 -9.154 1.00 0.00 C ATOM 1428 C SER A 92 7.960 15.442 -7.649 1.00 0.00 C ATOM 1429 O SER A 92 7.388 14.534 -7.046 1.00 0.00 O ATOM 1430 CB SER A 92 7.015 15.980 -9.902 1.00 0.00 C ATOM 1431 OG SER A 92 5.808 15.299 -9.607 1.00 0.00 O ATOM 0 H SER A 92 7.532 13.418 -9.595 1.00 0.00 H new ATOM 0 HA SER A 92 9.103 15.913 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.920 17.031 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.202 15.946 -10.975 1.00 0.00 H new ATOM 0 HG SER A 92 5.069 15.717 -10.096 1.00 0.00 H new ATOM 1437 N VAL A 93 8.407 16.540 -7.047 1.00 0.00 N ATOM 1438 CA VAL A 93 8.245 16.746 -5.613 1.00 0.00 C ATOM 1439 C VAL A 93 6.788 17.019 -5.258 1.00 0.00 C ATOM 1440 O VAL A 93 6.047 17.609 -6.043 1.00 0.00 O ATOM 1441 CB VAL A 93 9.112 17.916 -5.112 1.00 0.00 C ATOM 1442 CG1 VAL A 93 8.933 18.111 -3.614 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.575 17.679 -5.456 1.00 0.00 C ATOM 0 H VAL A 93 8.884 17.301 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 93 8.569 15.828 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 93 8.787 18.827 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.553 18.942 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.887 18.329 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.230 17.202 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.174 18.515 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.915 16.758 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.685 17.594 -6.537 1.00 0.00 H new ATOM 1453 N GLY A 94 6.383 16.586 -4.068 1.00 0.00 N ATOM 1454 CA GLY A 94 5.015 16.794 -3.629 1.00 0.00 C ATOM 1455 C GLY A 94 4.427 15.566 -2.963 1.00 0.00 C ATOM 1456 O GLY A 94 5.159 14.668 -2.544 1.00 0.00 O ATOM 0 H GLY A 94 6.977 16.095 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.984 17.632 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.400 17.069 -4.486 1.00 0.00 H new ATOM 1460 N ASP A 95 3.103 15.526 -2.862 1.00 0.00 N ATOM 1461 CA ASP A 95 2.417 14.399 -2.241 1.00 0.00 C ATOM 1462 C ASP A 95 1.678 13.570 -3.287 1.00 0.00 C ATOM 1463 O ASP A 95 0.830 14.084 -4.017 1.00 0.00 O ATOM 1464 CB ASP A 95 1.435 14.895 -1.178 1.00 0.00 C ATOM 1465 CG ASP A 95 2.133 15.588 -0.024 1.00 0.00 C ATOM 1466 OD1 ASP A 95 2.710 16.673 -0.245 1.00 0.00 O ATOM 1467 OD2 ASP A 95 2.102 15.044 1.100 1.00 0.00 O ATOM 0 H ASP A 95 2.483 16.261 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 95 3.166 13.766 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.725 15.584 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.860 14.051 -0.797 1.00 0.00 H new ATOM 1472 N HIS A 96 2.006 12.284 -3.354 1.00 0.00 N ATOM 1473 CA HIS A 96 1.374 11.383 -4.312 1.00 0.00 C ATOM 1474 C HIS A 96 0.738 10.193 -3.599 1.00 0.00 C ATOM 1475 O HIS A 96 1.403 9.478 -2.849 1.00 0.00 O ATOM 1476 CB HIS A 96 2.398 10.891 -5.335 1.00 0.00 C ATOM 1477 CG HIS A 96 3.008 11.992 -6.147 1.00 0.00 C ATOM 1478 ND1 HIS A 96 2.504 12.397 -7.365 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.086 12.774 -5.909 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.246 13.380 -7.842 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.213 13.629 -6.977 1.00 0.00 N ATOM 0 H HIS A 96 2.705 11.842 -2.757 1.00 0.00 H new ATOM 0 HA HIS A 96 0.591 11.936 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.190 10.353 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.917 10.179 -6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.727 12.734 -5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.089 13.893 -8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.936 14.340 -7.085 1.00 0.00 H new ATOM 1490 N SER A 97 -0.553 9.987 -3.838 1.00 0.00 N ATOM 1491 CA SER A 97 -1.280 8.886 -3.215 1.00 0.00 C ATOM 1492 C SER A 97 -1.750 7.883 -4.265 1.00 0.00 C ATOM 1493 O SER A 97 -1.728 8.165 -5.462 1.00 0.00 O ATOM 1494 CB SER A 97 -2.479 9.419 -2.430 1.00 0.00 C ATOM 1495 OG SER A 97 -3.471 9.935 -3.301 1.00 0.00 O ATOM 0 H SER A 97 -1.117 10.568 -4.458 1.00 0.00 H new ATOM 0 HA SER A 97 -0.603 8.377 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.904 8.620 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.151 10.200 -1.745 1.00 0.00 H new ATOM 0 HG SER A 97 -4.228 10.268 -2.774 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.174 6.710 -3.805 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.643 5.682 -4.715 1.00 0.00 C ATOM 1503 C GLY A 98 -3.518 4.653 -4.027 1.00 0.00 C ATOM 1504 O GLY A 98 -4.104 4.928 -2.980 1.00 0.00 O ATOM 0 H GLY A 98 -2.201 6.453 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.204 6.147 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.786 5.182 -5.166 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.608 3.466 -4.617 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.420 2.393 -4.055 1.00 0.00 C ATOM 1510 C ARG A 99 -3.954 1.033 -4.566 1.00 0.00 C ATOM 1511 O ARG A 99 -3.591 0.888 -5.734 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.894 2.604 -4.406 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.628 1.318 -4.750 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.006 1.600 -5.327 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.931 2.197 -6.658 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.881 2.971 -7.170 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -9.972 3.242 -6.467 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -8.739 3.478 -8.389 1.00 0.00 N ATOM 0 H ARG A 99 -3.129 3.223 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.304 2.413 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.394 3.084 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.963 3.289 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.042 0.744 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.726 0.703 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.575 0.671 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.548 2.270 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.104 2.009 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.084 2.856 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.700 3.837 -6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.900 3.273 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.469 4.072 -8.782 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.966 0.040 -3.684 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.543 -1.309 -4.044 1.00 0.00 C ATOM 1534 C LEU A 100 -4.745 -2.238 -4.179 1.00 0.00 C ATOM 1535 O LEU A 100 -5.444 -2.510 -3.202 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.574 -1.858 -2.996 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.245 -1.115 -2.856 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.490 -1.599 -1.628 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.399 -1.293 -4.108 1.00 0.00 C ATOM 0 H LEU A 100 -4.264 0.143 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.035 -1.259 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.075 -1.851 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.361 -2.900 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.456 -0.053 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.453 -1.059 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.091 -1.419 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.290 -2.666 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.543 -0.757 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.197 -2.353 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.936 -0.897 -4.970 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.978 -2.724 -5.394 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.093 -3.625 -5.655 1.00 0.00 C ATOM 1553 C ILE A 101 -5.685 -5.080 -5.445 1.00 0.00 C ATOM 1554 O ILE A 101 -4.994 -5.668 -6.276 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.630 -3.456 -7.088 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -6.949 -1.986 -7.366 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.864 -4.321 -7.297 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.331 -1.571 -6.911 1.00 0.00 C ATOM 0 H ILE A 101 -4.409 -2.509 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.881 -3.365 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.861 -3.780 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.208 -1.361 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.856 -1.798 -8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.232 -4.190 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.606 -5.368 -7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.639 -4.025 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.488 -0.517 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.080 -2.170 -7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.422 -1.726 -5.836 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.119 -5.655 -4.327 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.801 -7.042 -4.009 1.00 0.00 C ATOM 1572 C VAL A 102 -6.977 -7.961 -4.323 1.00 0.00 C ATOM 1573 O VAL A 102 -7.951 -8.018 -3.572 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.420 -7.204 -2.525 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.996 -8.636 -2.236 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.317 -6.226 -2.150 1.00 0.00 C ATOM 0 H VAL A 102 -6.691 -5.182 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.949 -7.322 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.296 -6.980 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.731 -8.731 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.819 -9.313 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.134 -8.892 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.060 -6.354 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.437 -6.417 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.663 -5.206 -2.318 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.878 -8.678 -5.437 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.934 -9.595 -5.852 1.00 0.00 C ATOM 1588 C CYS A 103 -7.746 -10.966 -5.210 1.00 0.00 C ATOM 1589 O CYS A 103 -6.631 -11.482 -5.138 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.951 -9.730 -7.375 1.00 0.00 C ATOM 1591 SG CYS A 103 -9.528 -10.305 -8.047 1.00 0.00 S ATOM 0 H CYS A 103 -6.078 -8.642 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.888 -9.186 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.710 -8.763 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.165 -10.423 -7.677 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.445 -10.385 -9.342 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.844 -11.549 -4.742 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.801 -12.858 -4.102 1.00 0.00 C ATOM 1599 C TYR A 104 -9.256 -13.951 -5.064 1.00 0.00 C ATOM 1600 O TYR A 104 -9.981 -13.686 -6.024 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.680 -12.866 -2.850 1.00 0.00 C ATOM 1602 CG TYR A 104 -9.023 -12.235 -1.644 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.217 -12.984 -0.796 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -9.208 -10.889 -1.352 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.614 -12.412 0.308 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.609 -10.308 -0.251 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.813 -11.074 0.576 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.215 -10.499 1.674 1.00 0.00 O ATOM 0 H TYR A 104 -9.775 -11.135 -4.794 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.769 -13.060 -3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.609 -12.338 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.947 -13.895 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.059 -14.032 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.831 -10.287 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.991 -13.009 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.763 -9.260 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.456 -9.550 1.718 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.826 -15.180 -4.800 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.190 -16.314 -5.640 1.00 0.00 C ATOM 1620 C ASP A 105 -10.704 -16.500 -5.676 1.00 0.00 C ATOM 1621 O ASP A 105 -11.268 -16.891 -6.699 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.519 -17.590 -5.129 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.644 -18.742 -6.108 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.744 -18.479 -7.325 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -8.642 -19.906 -5.656 1.00 0.00 O ATOM 0 H ASP A 105 -8.225 -15.416 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.843 -16.111 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.464 -17.391 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.966 -17.876 -4.177 1.00 0.00 H new ATOM 1630 N THR A 106 -11.357 -16.219 -4.553 1.00 0.00 N ATOM 1631 CA THR A 106 -12.804 -16.357 -4.455 1.00 0.00 C ATOM 1632 C THR A 106 -13.515 -15.300 -5.292 1.00 0.00 C ATOM 1633 O THR A 106 -14.406 -15.614 -6.081 1.00 0.00 O ATOM 1634 CB THR A 106 -13.282 -16.246 -2.995 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.701 -16.427 -2.929 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.909 -14.895 -2.405 1.00 0.00 C ATOM 0 H THR A 106 -10.906 -15.894 -3.698 1.00 0.00 H new ATOM 0 HA THR A 106 -13.053 -17.347 -4.837 1.00 0.00 H new ATOM 0 HB THR A 106 -12.790 -17.026 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.997 -16.357 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.257 -14.840 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.826 -14.774 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.376 -14.102 -2.988 1.00 0.00 H new ATOM 1644 N GLY A 107 -13.115 -14.044 -5.116 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.725 -12.960 -5.863 1.00 0.00 C ATOM 1646 C GLY A 107 -13.886 -11.702 -5.032 1.00 0.00 C ATOM 1647 O GLY A 107 -14.920 -11.039 -5.093 1.00 0.00 O ATOM 0 H GLY A 107 -12.380 -13.758 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.115 -12.738 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.702 -13.278 -6.227 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.860 -11.375 -4.252 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.894 -10.189 -3.404 1.00 0.00 C ATOM 1653 C GLU A 108 -11.879 -9.153 -3.876 1.00 0.00 C ATOM 1654 O GLU A 108 -11.114 -9.395 -4.810 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.614 -10.569 -1.948 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.721 -11.390 -1.309 1.00 0.00 C ATOM 1657 CD GLU A 108 -15.095 -10.789 -1.532 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -15.248 -9.567 -1.328 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -16.018 -11.542 -1.909 1.00 0.00 O ATOM 0 H GLU A 108 -11.996 -11.914 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.890 -9.752 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.682 -11.133 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.466 -9.659 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.700 -12.401 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.534 -11.474 -0.238 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.877 -7.995 -3.223 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.956 -6.920 -3.573 1.00 0.00 C ATOM 1668 C LYS A 109 -10.689 -6.019 -2.372 1.00 0.00 C ATOM 1669 O LYS A 109 -11.617 -5.603 -1.677 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.521 -6.093 -4.729 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.453 -5.474 -5.614 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.040 -4.950 -6.914 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.502 -3.507 -6.776 1.00 0.00 C ATOM 1674 NZ LYS A 109 -11.888 -2.921 -8.090 1.00 0.00 N ATOM 0 H LYS A 109 -12.504 -7.777 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.013 -7.370 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.163 -6.728 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.150 -5.300 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.964 -4.659 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.686 -6.217 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.294 -5.020 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.881 -5.575 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.351 -3.461 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.704 -2.911 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.197 -1.937 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.071 -2.942 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.666 -3.474 -8.502 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.416 -5.720 -2.133 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.029 -4.865 -1.017 1.00 0.00 C ATOM 1690 C VAL A 110 -8.569 -3.497 -1.507 1.00 0.00 C ATOM 1691 O VAL A 110 -8.039 -3.366 -2.610 1.00 0.00 O ATOM 1692 CB VAL A 110 -7.902 -5.506 -0.185 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.631 -4.687 1.068 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.254 -6.942 0.172 1.00 0.00 C ATOM 0 H VAL A 110 -8.636 -6.057 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.912 -4.744 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.992 -5.518 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.832 -5.155 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.331 -3.678 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.535 -4.640 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.447 -7.379 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.176 -6.957 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.392 -7.521 -0.741 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.775 -2.478 -0.678 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.381 -1.118 -1.027 1.00 0.00 C ATOM 1706 C PHE A 111 -7.442 -0.537 0.026 1.00 0.00 C ATOM 1707 O PHE A 111 -7.821 -0.361 1.184 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.618 -0.228 -1.170 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.473 -0.576 -2.355 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.926 -0.638 -3.626 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.824 -0.842 -2.196 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.711 -0.958 -4.718 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.614 -1.163 -3.284 1.00 0.00 C ATOM 1714 CZ PHE A 111 -12.056 -1.222 -4.547 1.00 0.00 C ATOM 0 H PHE A 111 -9.212 -2.569 0.239 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.853 -1.152 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.218 -0.306 -0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.300 0.811 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.875 -0.434 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.264 -0.798 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.273 -1.002 -5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.666 -1.367 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.670 -1.474 -5.399 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.213 -0.241 -0.385 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.218 0.321 0.520 1.00 0.00 C ATOM 1726 C VAL A 112 -4.593 1.583 -0.064 1.00 0.00 C ATOM 1727 O VAL A 112 -3.726 1.512 -0.935 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.103 -0.696 0.829 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.066 -0.085 1.760 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.690 -1.964 1.430 1.00 0.00 C ATOM 0 H VAL A 112 -5.883 -0.381 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.737 0.572 1.445 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.607 -0.960 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.286 -0.818 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.624 0.792 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.544 0.210 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.888 -2.671 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.213 -1.720 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.391 -2.411 0.724 1.00 0.00 H new ATOM 1740 N SER A 113 -5.039 2.737 0.422 1.00 0.00 N ATOM 1741 CA SER A 113 -4.525 4.016 -0.054 1.00 0.00 C ATOM 1742 C SER A 113 -3.005 4.069 0.064 1.00 0.00 C ATOM 1743 O SER A 113 -2.429 3.588 1.041 1.00 0.00 O ATOM 1744 CB SER A 113 -5.150 5.167 0.737 1.00 0.00 C ATOM 1745 OG SER A 113 -6.566 5.108 0.690 1.00 0.00 O ATOM 0 H SER A 113 -5.755 2.813 1.145 1.00 0.00 H new ATOM 0 HA SER A 113 -4.794 4.119 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.815 5.124 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.809 6.119 0.331 1.00 0.00 H new ATOM 0 HG SER A 113 -6.942 5.853 1.204 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.361 4.657 -0.937 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.907 4.775 -0.948 1.00 0.00 C ATOM 1753 C LEU A 114 -0.472 6.191 -0.586 1.00 0.00 C ATOM 1754 O LEU A 114 -1.222 7.149 -0.777 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.354 4.395 -2.322 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.580 2.947 -2.760 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.087 2.736 -4.183 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.115 1.987 -1.805 1.00 0.00 C ATOM 0 H LEU A 114 -2.823 5.060 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.507 4.090 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.802 5.053 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.718 4.592 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.650 2.743 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.256 1.700 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.630 3.398 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.979 2.959 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.056 0.961 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.186 2.192 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.286 2.119 -0.800 1.00 0.00 H new ATOM 1770 N TYR A 115 0.743 6.317 -0.065 1.00 0.00 N ATOM 1771 CA TYR A 115 1.278 7.617 0.323 1.00 0.00 C ATOM 1772 C TYR A 115 2.797 7.643 0.191 1.00 0.00 C ATOM 1773 O TYR A 115 3.430 6.612 -0.036 1.00 0.00 O ATOM 1774 CB TYR A 115 0.875 7.949 1.761 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.305 8.890 1.857 1.00 0.00 C ATOM 1776 CD1 TYR A 115 -0.184 10.225 1.493 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.539 8.443 2.312 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.259 11.089 1.580 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.620 9.300 2.401 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.475 10.621 2.034 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.548 11.478 2.121 1.00 0.00 O ATOM 0 H TYR A 115 1.377 5.535 0.099 1.00 0.00 H new ATOM 0 HA TYR A 115 0.860 8.368 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.635 7.024 2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.727 8.394 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.766 10.594 1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.656 7.409 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.148 12.125 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.573 8.937 2.756 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.329 10.991 2.457 1.00 0.00 H new ATOM 1791 N GLY A 116 3.378 8.830 0.334 1.00 0.00 N ATOM 1792 CA GLY A 116 4.818 8.970 0.228 1.00 0.00 C ATOM 1793 C GLY A 116 5.239 10.380 -0.137 1.00 0.00 C ATOM 1794 O GLY A 116 5.804 10.609 -1.206 1.00 0.00 O ATOM 0 H GLY A 116 2.876 9.698 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.278 8.691 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.193 8.276 -0.524 1.00 0.00 H new ATOM 1798 N ALA A 117 4.960 11.328 0.752 1.00 0.00 N ATOM 1799 CA ALA A 117 5.314 12.722 0.517 1.00 0.00 C ATOM 1800 C ALA A 117 6.787 12.861 0.147 1.00 0.00 C ATOM 1801 O ALA A 117 7.666 12.718 0.996 1.00 0.00 O ATOM 1802 CB ALA A 117 4.995 13.561 1.746 1.00 0.00 C ATOM 0 H ALA A 117 4.490 11.156 1.641 1.00 0.00 H new ATOM 0 HA ALA A 117 4.721 13.085 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.264 14.600 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.929 13.496 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.563 13.188 2.598 1.00 0.00 H new ATOM 1808 N ALA A 118 7.049 13.139 -1.126 1.00 0.00 N ATOM 1809 CA ALA A 118 8.415 13.297 -1.607 1.00 0.00 C ATOM 1810 C ALA A 118 8.945 14.695 -1.304 1.00 0.00 C ATOM 1811 O ALA A 118 8.177 15.606 -0.994 1.00 0.00 O ATOM 1812 CB ALA A 118 8.484 13.018 -3.101 1.00 0.00 C ATOM 0 H ALA A 118 6.333 13.259 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 118 9.044 12.576 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.510 13.140 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.154 11.998 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.837 13.716 -3.632 1.00 0.00 H new ATOM 1818 N ILE A 119 10.261 14.856 -1.395 1.00 0.00 N ATOM 1819 CA ILE A 119 10.893 16.142 -1.130 1.00 0.00 C ATOM 1820 C ILE A 119 12.150 16.322 -1.974 1.00 0.00 C ATOM 1821 O ILE A 119 12.879 15.364 -2.232 1.00 0.00 O ATOM 1822 CB ILE A 119 11.261 16.293 0.358 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.091 15.095 0.824 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.005 16.435 1.203 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.584 15.324 0.738 1.00 0.00 C ATOM 0 H ILE A 119 10.910 14.112 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 119 10.167 16.910 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 119 11.860 17.196 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.827 14.859 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.830 14.226 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.282 16.541 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.449 17.317 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.382 15.549 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.109 14.434 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.862 15.530 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.858 16.173 1.364 1.00 0.00 H new ATOM 1837 N ASP A 120 12.398 17.555 -2.401 1.00 0.00 N ATOM 1838 CA ASP A 120 13.569 17.861 -3.214 1.00 0.00 C ATOM 1839 C ASP A 120 14.855 17.620 -2.429 1.00 0.00 C ATOM 1840 O ASP A 120 15.045 18.173 -1.346 1.00 0.00 O ATOM 1841 CB ASP A 120 13.516 19.312 -3.696 1.00 0.00 C ATOM 1842 CG ASP A 120 14.877 19.833 -4.115 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.262 19.617 -5.283 1.00 0.00 O ATOM 1844 OD2 ASP A 120 15.557 20.457 -3.274 1.00 0.00 O ATOM 0 H ASP A 120 11.804 18.359 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 120 13.563 17.198 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.827 19.387 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.118 19.942 -2.900 1.00 0.00 H new ATOM 1849 N MET A 121 15.732 16.789 -2.981 1.00 0.00 N ATOM 1850 CA MET A 121 17.000 16.474 -2.332 1.00 0.00 C ATOM 1851 C MET A 121 18.154 17.206 -3.010 1.00 0.00 C ATOM 1852 O MET A 121 19.085 17.663 -2.348 1.00 0.00 O ATOM 1853 CB MET A 121 17.251 14.966 -2.360 1.00 0.00 C ATOM 1854 CG MET A 121 16.265 14.170 -1.521 1.00 0.00 C ATOM 1855 SD MET A 121 16.665 14.201 0.237 1.00 0.00 S ATOM 1856 CE MET A 121 16.865 12.452 0.570 1.00 0.00 C ATOM 0 H MET A 121 15.589 16.321 -3.876 1.00 0.00 H new ATOM 0 HA MET A 121 16.941 16.806 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 121 17.202 14.617 -3.391 1.00 0.00 H new ATOM 0 HB3 MET A 121 18.262 14.768 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.262 14.571 -1.669 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.250 13.137 -1.868 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.518 12.318 1.432 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.892 12.008 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 121 17.307 11.964 -0.299 1.00 0.00 H new ATOM 1866 N ASN A 122 18.086 17.313 -4.333 1.00 0.00 N ATOM 1867 CA ASN A 122 19.126 17.989 -5.099 1.00 0.00 C ATOM 1868 C ASN A 122 19.053 19.500 -4.902 1.00 0.00 C ATOM 1869 O ASN A 122 19.995 20.224 -5.221 1.00 0.00 O ATOM 1870 CB ASN A 122 18.995 17.651 -6.586 1.00 0.00 C ATOM 1871 CG ASN A 122 19.536 16.273 -6.915 1.00 0.00 C ATOM 1872 OD1 ASN A 122 20.548 15.842 -6.361 1.00 0.00 O ATOM 1873 ND2 ASN A 122 18.862 15.574 -7.821 1.00 0.00 N ATOM 0 H ASN A 122 17.322 16.940 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 122 20.093 17.640 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 122 17.946 17.706 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 122 19.528 18.398 -7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 122 19.178 14.640 -8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 122 18.028 15.971 -8.255 1.00 0.00 H new TER 1880 ASN A 122