USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN : amide:sc= 0.913 K(o=1.7,f=0.9) USER MOD Set 1.2: A 88 SER OG : rot -120:sc= 0.812 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0.0463 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot -123:sc= 1.36 USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0.983 USER MOD Set 4.1: A 1 GLY N :NH3+ 167:sc= 0.595 (180deg=0) USER MOD Set 4.2: A 2 HIS : no HE2:sc= -0.15 K(o=0.44,f=-1.9) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 73:sc= 0.00147 USER MOD Single : A 9 TYR OH : rot -148:sc= 0.0268 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -4:sc= 0.944 USER MOD Single : A 20 HIS : no HD1:sc= -0.982 X(o=-0.98,f=-0.67) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 17:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 29:sc= 0.07 USER MOD Single : A 37 THR OG1 : rot 81:sc= 1 USER MOD Single : A 38 SER OG : rot -174:sc= 0.185 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 44 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 46 THR OG1 : rot 50:sc= 0.00204 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.071) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc=-0.00806 X(o=-0.0081,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00277 USER MOD Single : A 68 TYR OH : rot -130:sc= 0.642 USER MOD Single : A 71 ASN : amide:sc= 0.799 K(o=0.8,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.0332 (180deg=-0.351) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc=-0.00733 K(o=-0.0073,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0198 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.266 2.404 -11.009 1.00 0.00 N ATOM 2 CA GLY A 1 -38.862 1.983 -10.862 1.00 0.00 C ATOM 3 C GLY A 1 -38.302 1.716 -12.243 1.00 0.00 C ATOM 4 O GLY A 1 -38.901 0.933 -12.969 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.734 2.381 -10.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.300 3.371 -11.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.756 1.758 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.283 2.758 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.796 1.087 -10.245 1.00 0.00 H new ATOM 8 N HIS A 2 -37.247 2.433 -12.632 1.00 0.00 N ATOM 9 CA HIS A 2 -36.759 2.596 -14.006 1.00 0.00 C ATOM 10 C HIS A 2 -35.570 3.559 -13.898 1.00 0.00 C ATOM 11 O HIS A 2 -35.615 4.689 -14.378 1.00 0.00 O ATOM 12 CB HIS A 2 -37.876 3.125 -14.944 1.00 0.00 C ATOM 13 CG HIS A 2 -38.807 4.096 -14.258 1.00 0.00 C ATOM 14 ND1 HIS A 2 -38.434 5.282 -13.669 1.00 0.00 N ATOM 15 CD2 HIS A 2 -40.075 3.798 -13.842 1.00 0.00 C ATOM 16 CE1 HIS A 2 -39.448 5.678 -12.880 1.00 0.00 C ATOM 17 NE2 HIS A 2 -40.438 4.764 -12.897 1.00 0.00 N ATOM 0 H HIS A 2 -36.676 2.946 -11.960 1.00 0.00 H new ATOM 0 HA HIS A 2 -36.453 1.649 -14.450 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -37.420 3.613 -15.805 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -38.454 2.282 -15.324 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -37.550 5.771 -13.806 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -40.683 2.972 -14.180 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -39.466 6.597 -12.314 1.00 0.00 H new ATOM 25 N MET A 3 -34.562 3.157 -13.125 1.00 0.00 N ATOM 26 CA MET A 3 -33.305 3.858 -12.904 1.00 0.00 C ATOM 27 C MET A 3 -32.359 2.810 -12.317 1.00 0.00 C ATOM 28 O MET A 3 -32.816 1.893 -11.631 1.00 0.00 O ATOM 29 CB MET A 3 -33.524 5.051 -11.948 1.00 0.00 C ATOM 30 CG MET A 3 -32.259 5.871 -11.654 1.00 0.00 C ATOM 31 SD MET A 3 -31.233 5.286 -10.273 1.00 0.00 S ATOM 32 CE MET A 3 -32.179 5.902 -8.853 1.00 0.00 C ATOM 0 H MET A 3 -34.607 2.280 -12.607 1.00 0.00 H new ATOM 0 HA MET A 3 -32.890 4.282 -13.818 1.00 0.00 H new ATOM 0 HB2 MET A 3 -34.278 5.711 -12.377 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.926 4.677 -11.007 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.645 5.890 -12.554 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.556 6.900 -11.449 1.00 0.00 H new ATOM 0 HE1 MET A 3 -31.673 5.621 -7.929 1.00 0.00 H new ATOM 0 HE2 MET A 3 -32.254 6.988 -8.909 1.00 0.00 H new ATOM 0 HE3 MET A 3 -33.179 5.468 -8.866 1.00 0.00 H new ATOM 42 N GLY A 4 -31.066 2.940 -12.587 1.00 0.00 N ATOM 43 CA GLY A 4 -30.003 2.100 -12.066 1.00 0.00 C ATOM 44 C GLY A 4 -28.718 2.478 -12.792 1.00 0.00 C ATOM 45 O GLY A 4 -28.766 3.184 -13.804 1.00 0.00 O ATOM 0 H GLY A 4 -30.717 3.671 -13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.892 2.245 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.236 1.047 -12.223 1.00 0.00 H new ATOM 49 N SER A 5 -27.572 2.028 -12.295 1.00 0.00 N ATOM 50 CA SER A 5 -26.278 2.284 -12.911 1.00 0.00 C ATOM 51 C SER A 5 -25.277 1.223 -12.440 1.00 0.00 C ATOM 52 O SER A 5 -25.555 0.519 -11.453 1.00 0.00 O ATOM 53 CB SER A 5 -25.818 3.712 -12.560 1.00 0.00 C ATOM 54 OG SER A 5 -25.732 3.917 -11.162 1.00 0.00 O ATOM 0 H SER A 5 -27.516 1.469 -11.444 1.00 0.00 H new ATOM 0 HA SER A 5 -26.349 2.217 -13.997 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.845 3.900 -13.014 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.515 4.432 -12.989 1.00 0.00 H new ATOM 0 HG SER A 5 -24.951 3.441 -10.809 1.00 0.00 H new ATOM 60 N PRO A 6 -24.113 1.095 -13.100 1.00 0.00 N ATOM 61 CA PRO A 6 -22.979 0.390 -12.526 1.00 0.00 C ATOM 62 C PRO A 6 -22.600 0.978 -11.163 1.00 0.00 C ATOM 63 O PRO A 6 -22.992 2.091 -10.795 1.00 0.00 O ATOM 64 CB PRO A 6 -21.854 0.482 -13.562 1.00 0.00 C ATOM 65 CG PRO A 6 -22.232 1.670 -14.440 1.00 0.00 C ATOM 66 CD PRO A 6 -23.755 1.682 -14.385 1.00 0.00 C ATOM 0 HA PRO A 6 -23.206 -0.656 -12.322 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -20.887 0.635 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.779 -0.435 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.809 2.600 -14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.868 1.547 -15.460 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -24.141 2.698 -14.471 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -24.180 1.108 -15.209 1.00 0.00 H new ATOM 74 N VAL A 7 -21.863 0.190 -10.391 1.00 0.00 N ATOM 75 CA VAL A 7 -21.359 0.555 -9.082 1.00 0.00 C ATOM 76 C VAL A 7 -20.190 1.529 -9.259 1.00 0.00 C ATOM 77 O VAL A 7 -19.141 1.179 -9.803 1.00 0.00 O ATOM 78 CB VAL A 7 -21.059 -0.729 -8.292 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.128 -1.722 -9.003 1.00 0.00 C ATOM 80 CG2 VAL A 7 -20.515 -0.385 -6.907 1.00 0.00 C ATOM 0 H VAL A 7 -21.593 -0.752 -10.673 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.089 1.095 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.015 -1.245 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.975 -2.595 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.579 -2.032 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.168 -1.244 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.307 -1.304 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.596 0.192 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.253 0.203 -6.362 1.00 0.00 H new ATOM 90 N SER A 8 -20.382 2.767 -8.814 1.00 0.00 N ATOM 91 CA SER A 8 -19.446 3.861 -9.000 1.00 0.00 C ATOM 92 C SER A 8 -18.371 3.766 -7.913 1.00 0.00 C ATOM 93 O SER A 8 -18.653 4.006 -6.737 1.00 0.00 O ATOM 94 CB SER A 8 -20.274 5.152 -8.978 1.00 0.00 C ATOM 95 OG SER A 8 -19.636 6.254 -9.597 1.00 0.00 O ATOM 0 H SER A 8 -21.219 3.041 -8.299 1.00 0.00 H new ATOM 0 HA SER A 8 -18.909 3.832 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.226 4.970 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.500 5.410 -7.943 1.00 0.00 H new ATOM 0 HG SER A 8 -19.560 6.991 -8.955 1.00 0.00 H new ATOM 101 N TYR A 9 -17.154 3.336 -8.255 1.00 0.00 N ATOM 102 CA TYR A 9 -16.038 3.272 -7.308 1.00 0.00 C ATOM 103 C TYR A 9 -15.261 4.589 -7.308 1.00 0.00 C ATOM 104 O TYR A 9 -15.120 5.228 -8.354 1.00 0.00 O ATOM 105 CB TYR A 9 -15.128 2.081 -7.630 1.00 0.00 C ATOM 106 CG TYR A 9 -15.559 0.770 -6.995 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.822 0.220 -7.260 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.704 0.098 -6.107 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.186 -1.027 -6.720 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.076 -1.131 -5.542 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.325 -1.708 -5.840 1.00 0.00 C ATOM 112 OH TYR A 9 -16.761 -2.858 -5.253 1.00 0.00 O ATOM 0 H TYR A 9 -16.915 3.023 -9.196 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.436 3.122 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.090 1.951 -8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.115 2.314 -7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.521 0.758 -7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.748 0.533 -5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.137 -1.466 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.398 -1.639 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.356 -2.946 -4.365 1.00 0.00 H new ATOM 122 N TYR A 10 -14.727 4.970 -6.146 1.00 0.00 N ATOM 123 CA TYR A 10 -14.004 6.211 -5.906 1.00 0.00 C ATOM 124 C TYR A 10 -12.719 5.895 -5.160 1.00 0.00 C ATOM 125 O TYR A 10 -12.760 5.444 -4.011 1.00 0.00 O ATOM 126 CB TYR A 10 -14.855 7.183 -5.084 1.00 0.00 C ATOM 127 CG TYR A 10 -16.099 7.628 -5.805 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.242 6.812 -5.775 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.077 8.801 -6.578 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.363 7.146 -6.544 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.200 9.145 -7.350 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.338 8.307 -7.349 1.00 0.00 C ATOM 133 OH TYR A 10 -19.384 8.587 -8.165 1.00 0.00 O ATOM 0 H TYR A 10 -14.793 4.390 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.775 6.682 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -15.136 6.707 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.256 8.058 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.256 5.926 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.202 9.435 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.242 6.520 -6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.193 10.048 -7.943 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.208 9.421 -8.648 1.00 0.00 H new ATOM 143 N PHE A 11 -11.579 6.081 -5.819 1.00 0.00 N ATOM 144 CA PHE A 11 -10.269 5.967 -5.218 1.00 0.00 C ATOM 145 C PHE A 11 -9.343 7.006 -5.851 1.00 0.00 C ATOM 146 O PHE A 11 -8.739 6.740 -6.891 1.00 0.00 O ATOM 147 CB PHE A 11 -9.693 4.551 -5.328 1.00 0.00 C ATOM 148 CG PHE A 11 -8.416 4.333 -4.534 1.00 0.00 C ATOM 149 CD1 PHE A 11 -7.886 5.319 -3.672 1.00 0.00 C ATOM 150 CD2 PHE A 11 -7.760 3.097 -4.639 1.00 0.00 C ATOM 151 CE1 PHE A 11 -6.706 5.083 -2.966 1.00 0.00 C ATOM 152 CE2 PHE A 11 -6.584 2.859 -3.907 1.00 0.00 C ATOM 153 CZ PHE A 11 -6.051 3.857 -3.081 1.00 0.00 C ATOM 0 H PHE A 11 -11.548 6.321 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.358 6.163 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.444 3.838 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.497 4.332 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.398 6.263 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.159 2.328 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.298 5.853 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.089 1.902 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.136 3.678 -2.535 1.00 0.00 H new ATOM 163 N SER A 12 -9.252 8.188 -5.244 1.00 0.00 N ATOM 164 CA SER A 12 -8.304 9.227 -5.634 1.00 0.00 C ATOM 165 C SER A 12 -8.235 10.311 -4.547 1.00 0.00 C ATOM 166 O SER A 12 -9.079 10.340 -3.643 1.00 0.00 O ATOM 167 CB SER A 12 -8.699 9.790 -7.015 1.00 0.00 C ATOM 168 OG SER A 12 -10.108 9.783 -7.245 1.00 0.00 O ATOM 0 H SER A 12 -9.844 8.453 -4.457 1.00 0.00 H new ATOM 0 HA SER A 12 -7.301 8.809 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.328 10.811 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.208 9.205 -7.792 1.00 0.00 H new ATOM 0 HG SER A 12 -10.296 10.152 -8.133 1.00 0.00 H new ATOM 174 N TYR A 13 -7.243 11.204 -4.618 1.00 0.00 N ATOM 175 CA TYR A 13 -7.051 12.260 -3.629 1.00 0.00 C ATOM 176 C TYR A 13 -8.121 13.347 -3.788 1.00 0.00 C ATOM 177 O TYR A 13 -8.879 13.357 -4.765 1.00 0.00 O ATOM 178 CB TYR A 13 -5.641 12.858 -3.762 1.00 0.00 C ATOM 179 CG TYR A 13 -4.506 11.970 -3.286 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.230 11.883 -1.908 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.713 11.247 -4.199 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.196 11.062 -1.431 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.682 10.410 -3.729 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.432 10.303 -2.341 1.00 0.00 C ATOM 185 OH TYR A 13 -1.494 9.433 -1.881 1.00 0.00 O ATOM 0 H TYR A 13 -6.550 11.212 -5.367 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.152 11.830 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.469 13.108 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.607 13.792 -3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.822 12.455 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.896 11.335 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.987 11.012 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.081 9.849 -4.430 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.059 8.990 -2.639 1.00 0.00 H new ATOM 195 N ALA A 14 -8.164 14.296 -2.851 1.00 0.00 N ATOM 196 CA ALA A 14 -8.975 15.502 -2.965 1.00 0.00 C ATOM 197 C ALA A 14 -8.298 16.543 -3.866 1.00 0.00 C ATOM 198 O ALA A 14 -8.982 17.391 -4.431 1.00 0.00 O ATOM 199 CB ALA A 14 -9.214 16.078 -1.568 1.00 0.00 C ATOM 0 H ALA A 14 -7.630 14.245 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.930 15.244 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.820 16.981 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.735 15.342 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.257 16.322 -1.106 1.00 0.00 H new ATOM 205 N ASP A 15 -6.975 16.458 -4.038 1.00 0.00 N ATOM 206 CA ASP A 15 -6.130 17.411 -4.771 1.00 0.00 C ATOM 207 C ASP A 15 -6.207 17.214 -6.294 1.00 0.00 C ATOM 208 O ASP A 15 -5.302 17.579 -7.045 1.00 0.00 O ATOM 209 CB ASP A 15 -4.691 17.300 -4.251 1.00 0.00 C ATOM 210 CG ASP A 15 -3.906 18.587 -4.515 1.00 0.00 C ATOM 211 OD1 ASP A 15 -4.061 19.511 -3.685 1.00 0.00 O ATOM 212 OD2 ASP A 15 -3.107 18.671 -5.477 1.00 0.00 O ATOM 0 H ASP A 15 -6.435 15.684 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.502 18.419 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.703 17.091 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.191 16.460 -4.734 1.00 0.00 H new ATOM 217 N GLY A 16 -7.271 16.570 -6.775 1.00 0.00 N ATOM 218 CA GLY A 16 -7.500 16.339 -8.190 1.00 0.00 C ATOM 219 C GLY A 16 -6.410 15.485 -8.831 1.00 0.00 C ATOM 220 O GLY A 16 -5.851 15.877 -9.858 1.00 0.00 O ATOM 0 H GLY A 16 -8.006 16.191 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.465 15.849 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.556 17.297 -8.706 1.00 0.00 H new ATOM 224 N GLY A 17 -6.115 14.321 -8.243 1.00 0.00 N ATOM 225 CA GLY A 17 -5.119 13.414 -8.782 1.00 0.00 C ATOM 226 C GLY A 17 -5.026 12.090 -8.026 1.00 0.00 C ATOM 227 O GLY A 17 -5.855 11.776 -7.166 1.00 0.00 O ATOM 0 H GLY A 17 -6.561 13.991 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.352 13.211 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.145 13.903 -8.762 1.00 0.00 H new ATOM 231 N THR A 18 -4.028 11.291 -8.400 1.00 0.00 N ATOM 232 CA THR A 18 -3.853 9.882 -8.060 1.00 0.00 C ATOM 233 C THR A 18 -2.427 9.586 -7.564 1.00 0.00 C ATOM 234 O THR A 18 -2.002 8.431 -7.566 1.00 0.00 O ATOM 235 CB THR A 18 -4.234 9.020 -9.284 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.645 9.496 -10.489 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.752 9.016 -9.496 1.00 0.00 C ATOM 0 H THR A 18 -3.269 11.635 -8.988 1.00 0.00 H new ATOM 0 HA THR A 18 -4.514 9.629 -7.231 1.00 0.00 H new ATOM 0 HB THR A 18 -3.863 8.018 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.913 8.919 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.997 8.403 -10.363 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.242 8.607 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.099 10.036 -9.663 1.00 0.00 H new ATOM 245 N SER A 19 -1.649 10.594 -7.163 1.00 0.00 N ATOM 246 CA SER A 19 -0.254 10.395 -6.808 1.00 0.00 C ATOM 247 C SER A 19 0.148 11.449 -5.779 1.00 0.00 C ATOM 248 O SER A 19 -0.155 12.628 -5.966 1.00 0.00 O ATOM 249 CB SER A 19 0.574 10.566 -8.090 1.00 0.00 C ATOM 250 OG SER A 19 1.789 9.839 -8.075 1.00 0.00 O ATOM 0 H SER A 19 -1.970 11.559 -7.078 1.00 0.00 H new ATOM 0 HA SER A 19 -0.088 9.406 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.022 10.246 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.794 11.624 -8.234 1.00 0.00 H new ATOM 0 HG SER A 19 1.902 9.410 -7.201 1.00 0.00 H new ATOM 256 N HIS A 20 0.893 11.056 -4.749 1.00 0.00 N ATOM 257 CA HIS A 20 1.506 11.992 -3.817 1.00 0.00 C ATOM 258 C HIS A 20 3.004 11.990 -4.095 1.00 0.00 C ATOM 259 O HIS A 20 3.621 10.926 -4.084 1.00 0.00 O ATOM 260 CB HIS A 20 1.190 11.601 -2.368 1.00 0.00 C ATOM 261 CG HIS A 20 1.846 12.497 -1.345 1.00 0.00 C ATOM 262 ND1 HIS A 20 2.210 13.814 -1.524 1.00 0.00 N ATOM 263 CD2 HIS A 20 2.167 12.157 -0.060 1.00 0.00 C ATOM 264 CE1 HIS A 20 2.751 14.249 -0.379 1.00 0.00 C ATOM 265 NE2 HIS A 20 2.732 13.280 0.552 1.00 0.00 N ATOM 0 H HIS A 20 1.088 10.077 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 20 1.108 12.997 -3.954 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.110 11.625 -2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.512 10.573 -2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.012 11.192 0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.148 15.242 -0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.064 13.350 1.514 1.00 0.00 H new ATOM 273 N THR A 21 3.591 13.154 -4.346 1.00 0.00 N ATOM 274 CA THR A 21 5.017 13.318 -4.549 1.00 0.00 C ATOM 275 C THR A 21 5.451 14.468 -3.650 1.00 0.00 C ATOM 276 O THR A 21 5.304 15.629 -4.035 1.00 0.00 O ATOM 277 CB THR A 21 5.320 13.561 -6.036 1.00 0.00 C ATOM 278 OG1 THR A 21 4.715 12.560 -6.833 1.00 0.00 O ATOM 279 CG2 THR A 21 6.828 13.578 -6.288 1.00 0.00 C ATOM 0 H THR A 21 3.072 14.029 -4.415 1.00 0.00 H new ATOM 0 HA THR A 21 5.578 12.422 -4.283 1.00 0.00 H new ATOM 0 HB THR A 21 4.909 14.533 -6.309 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.915 12.728 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.018 13.751 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.286 14.375 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.257 12.620 -5.995 1.00 0.00 H new ATOM 287 N GLU A 22 5.912 14.158 -2.433 1.00 0.00 N ATOM 288 CA GLU A 22 6.389 15.202 -1.537 1.00 0.00 C ATOM 289 C GLU A 22 7.829 15.560 -1.899 1.00 0.00 C ATOM 290 O GLU A 22 8.639 14.671 -2.208 1.00 0.00 O ATOM 291 CB GLU A 22 6.295 14.758 -0.063 1.00 0.00 C ATOM 292 CG GLU A 22 6.330 15.927 0.943 1.00 0.00 C ATOM 293 CD GLU A 22 5.155 16.889 0.779 1.00 0.00 C ATOM 294 OE1 GLU A 22 5.213 17.737 -0.141 1.00 0.00 O ATOM 295 OE2 GLU A 22 4.161 16.798 1.530 1.00 0.00 O ATOM 0 H GLU A 22 5.962 13.211 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 22 5.756 16.082 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.372 14.196 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.119 14.078 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.327 15.527 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.263 16.477 0.820 1.00 0.00 H new ATOM 302 N TYR A 23 8.150 16.849 -1.772 1.00 0.00 N ATOM 303 CA TYR A 23 9.481 17.399 -1.981 1.00 0.00 C ATOM 304 C TYR A 23 9.971 18.122 -0.713 1.00 0.00 C ATOM 305 O TYR A 23 10.118 19.347 -0.736 1.00 0.00 O ATOM 306 CB TYR A 23 9.471 18.309 -3.220 1.00 0.00 C ATOM 307 CG TYR A 23 9.190 17.613 -4.540 1.00 0.00 C ATOM 308 CD1 TYR A 23 10.250 17.045 -5.266 1.00 0.00 C ATOM 309 CD2 TYR A 23 7.883 17.557 -5.061 1.00 0.00 C ATOM 310 CE1 TYR A 23 10.016 16.437 -6.512 1.00 0.00 C ATOM 311 CE2 TYR A 23 7.644 16.981 -6.320 1.00 0.00 C ATOM 312 CZ TYR A 23 8.710 16.408 -7.047 1.00 0.00 C ATOM 313 OH TYR A 23 8.471 15.813 -8.248 1.00 0.00 O ATOM 0 H TYR A 23 7.464 17.558 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 23 10.191 16.594 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.721 19.086 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.438 18.808 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.252 17.076 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.060 17.959 -4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.834 15.993 -7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.645 16.977 -6.731 1.00 0.00 H new ATOM 0 HH TYR A 23 7.518 15.884 -8.464 1.00 0.00 H new ATOM 323 N PRO A 24 10.207 17.417 0.413 1.00 0.00 N ATOM 324 CA PRO A 24 10.736 18.041 1.619 1.00 0.00 C ATOM 325 C PRO A 24 12.236 18.334 1.457 1.00 0.00 C ATOM 326 O PRO A 24 12.810 18.137 0.381 1.00 0.00 O ATOM 327 CB PRO A 24 10.407 17.061 2.744 1.00 0.00 C ATOM 328 CG PRO A 24 10.481 15.701 2.063 1.00 0.00 C ATOM 329 CD PRO A 24 10.115 15.975 0.601 1.00 0.00 C ATOM 0 HA PRO A 24 10.296 19.014 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.120 17.138 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.418 17.247 3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.479 15.270 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.789 14.993 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.794 15.452 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.109 15.619 0.380 1.00 0.00 H new ATOM 337 N ASP A 25 12.875 18.841 2.510 1.00 0.00 N ATOM 338 CA ASP A 25 14.228 19.389 2.482 1.00 0.00 C ATOM 339 C ASP A 25 14.745 19.444 3.917 1.00 0.00 C ATOM 340 O ASP A 25 13.928 19.357 4.840 1.00 0.00 O ATOM 341 CB ASP A 25 14.203 20.800 1.874 1.00 0.00 C ATOM 342 CG ASP A 25 15.578 21.222 1.367 1.00 0.00 C ATOM 343 OD1 ASP A 25 15.969 20.763 0.269 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.267 22.028 2.028 1.00 0.00 O ATOM 0 H ASP A 25 12.450 18.882 3.436 1.00 0.00 H new ATOM 0 HA ASP A 25 14.881 18.764 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.488 20.829 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.857 21.513 2.623 1.00 0.00 H new ATOM 349 N ASP A 26 16.054 19.632 4.103 1.00 0.00 N ATOM 350 CA ASP A 26 16.773 19.730 5.378 1.00 0.00 C ATOM 351 C ASP A 26 16.611 18.477 6.247 1.00 0.00 C ATOM 352 O ASP A 26 17.516 17.641 6.251 1.00 0.00 O ATOM 353 CB ASP A 26 16.447 21.044 6.095 1.00 0.00 C ATOM 354 CG ASP A 26 17.485 21.360 7.170 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.559 21.903 6.817 1.00 0.00 O ATOM 356 OD2 ASP A 26 17.237 21.085 8.365 1.00 0.00 O ATOM 0 H ASP A 26 16.686 19.727 3.308 1.00 0.00 H new ATOM 0 HA ASP A 26 17.840 19.765 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.411 21.857 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.458 20.978 6.549 1.00 0.00 H new ATOM 361 N SER A 27 15.471 18.306 6.921 1.00 0.00 N ATOM 362 CA SER A 27 14.872 17.020 7.250 1.00 0.00 C ATOM 363 C SER A 27 13.390 17.264 7.555 1.00 0.00 C ATOM 364 O SER A 27 13.077 18.064 8.439 1.00 0.00 O ATOM 365 CB SER A 27 15.573 16.399 8.463 1.00 0.00 C ATOM 366 OG SER A 27 15.030 15.121 8.772 1.00 0.00 O ATOM 0 H SER A 27 14.922 19.094 7.264 1.00 0.00 H new ATOM 0 HA SER A 27 14.979 16.326 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.640 16.305 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.469 17.059 9.324 1.00 0.00 H new ATOM 0 HG SER A 27 14.524 14.786 8.003 1.00 0.00 H new ATOM 372 N SER A 28 12.467 16.589 6.862 1.00 0.00 N ATOM 373 CA SER A 28 11.035 16.611 7.182 1.00 0.00 C ATOM 374 C SER A 28 10.398 15.212 7.124 1.00 0.00 C ATOM 375 O SER A 28 9.237 15.043 6.744 1.00 0.00 O ATOM 376 CB SER A 28 10.351 17.607 6.250 1.00 0.00 C ATOM 377 OG SER A 28 9.367 18.358 6.930 1.00 0.00 O ATOM 0 H SER A 28 12.694 16.007 6.056 1.00 0.00 H new ATOM 0 HA SER A 28 10.900 16.935 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.096 18.280 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.892 17.073 5.418 1.00 0.00 H new ATOM 0 HG SER A 28 8.948 18.988 6.307 1.00 0.00 H new ATOM 383 N ALA A 29 11.181 14.188 7.443 1.00 0.00 N ATOM 384 CA ALA A 29 10.718 12.820 7.653 1.00 0.00 C ATOM 385 C ALA A 29 9.895 12.704 8.943 1.00 0.00 C ATOM 386 O ALA A 29 10.401 13.045 10.018 1.00 0.00 O ATOM 387 CB ALA A 29 11.946 11.919 7.746 1.00 0.00 C ATOM 0 H ALA A 29 12.188 14.290 7.567 1.00 0.00 H new ATOM 0 HA ALA A 29 10.077 12.523 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.630 10.888 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.517 11.986 6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.569 12.239 8.581 1.00 0.00 H new ATOM 393 N GLY A 30 8.671 12.175 8.881 1.00 0.00 N ATOM 394 CA GLY A 30 7.820 11.990 10.042 1.00 0.00 C ATOM 395 C GLY A 30 6.600 11.148 9.688 1.00 0.00 C ATOM 396 O GLY A 30 6.619 10.417 8.692 1.00 0.00 O ATOM 0 H GLY A 30 8.245 11.862 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.384 11.505 10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.500 12.960 10.423 1.00 0.00 H new ATOM 400 N SER A 31 5.553 11.249 10.508 1.00 0.00 N ATOM 401 CA SER A 31 4.302 10.527 10.344 1.00 0.00 C ATOM 402 C SER A 31 3.147 11.527 10.280 1.00 0.00 C ATOM 403 O SER A 31 2.902 12.269 11.234 1.00 0.00 O ATOM 404 CB SER A 31 4.165 9.485 11.462 1.00 0.00 C ATOM 405 OG SER A 31 4.248 10.029 12.769 1.00 0.00 O ATOM 0 H SER A 31 5.558 11.856 11.328 1.00 0.00 H new ATOM 0 HA SER A 31 4.283 9.973 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.209 8.973 11.352 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.945 8.733 11.342 1.00 0.00 H new ATOM 0 HG SER A 31 3.919 10.952 12.761 1.00 0.00 H new ATOM 411 N PHE A 32 2.455 11.575 9.143 1.00 0.00 N ATOM 412 CA PHE A 32 1.336 12.478 8.865 1.00 0.00 C ATOM 413 C PHE A 32 0.135 11.703 8.312 1.00 0.00 C ATOM 414 O PHE A 32 0.147 10.471 8.257 1.00 0.00 O ATOM 415 CB PHE A 32 1.797 13.634 7.959 1.00 0.00 C ATOM 416 CG PHE A 32 2.264 13.239 6.571 1.00 0.00 C ATOM 417 CD1 PHE A 32 3.475 12.537 6.412 1.00 0.00 C ATOM 418 CD2 PHE A 32 1.513 13.594 5.431 1.00 0.00 C ATOM 419 CE1 PHE A 32 3.917 12.161 5.138 1.00 0.00 C ATOM 420 CE2 PHE A 32 1.983 13.249 4.154 1.00 0.00 C ATOM 421 CZ PHE A 32 3.177 12.530 4.003 1.00 0.00 C ATOM 0 H PHE A 32 2.666 10.961 8.357 1.00 0.00 H new ATOM 0 HA PHE A 32 0.993 12.932 9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.974 14.341 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.610 14.161 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.067 12.287 7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.581 14.129 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.826 11.588 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.420 13.540 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.526 12.261 3.017 1.00 0.00 H new ATOM 431 N ILE A 33 -0.948 12.398 7.963 1.00 0.00 N ATOM 432 CA ILE A 33 -2.194 11.813 7.472 1.00 0.00 C ATOM 433 C ILE A 33 -2.621 12.656 6.271 1.00 0.00 C ATOM 434 O ILE A 33 -2.359 13.860 6.242 1.00 0.00 O ATOM 435 CB ILE A 33 -3.259 11.772 8.604 1.00 0.00 C ATOM 436 CG1 ILE A 33 -2.695 11.078 9.869 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.546 11.068 8.127 1.00 0.00 C ATOM 438 CD1 ILE A 33 -3.701 10.820 10.995 1.00 0.00 C ATOM 0 H ILE A 33 -0.982 13.416 8.016 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.069 10.776 7.160 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.511 12.801 8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.258 10.124 9.572 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.885 11.690 10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.274 11.053 8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.962 11.607 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.313 10.046 7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.197 10.331 11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.122 11.768 11.331 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.501 10.177 10.628 1.00 0.00 H new ATOM 450 N LEU A 34 -3.278 12.032 5.291 1.00 0.00 N ATOM 451 CA LEU A 34 -3.711 12.665 4.049 1.00 0.00 C ATOM 452 C LEU A 34 -5.193 12.394 3.828 1.00 0.00 C ATOM 453 O LEU A 34 -5.742 11.439 4.385 1.00 0.00 O ATOM 454 CB LEU A 34 -2.900 12.093 2.875 1.00 0.00 C ATOM 455 CG LEU A 34 -1.445 12.585 2.827 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.623 11.668 1.920 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.365 14.009 2.273 1.00 0.00 C ATOM 0 H LEU A 34 -3.529 11.045 5.344 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.548 13.741 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.904 11.005 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.394 12.359 1.941 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.052 12.573 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.409 12.018 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.648 10.651 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.043 11.680 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.324 14.332 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.774 14.030 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.940 14.680 2.911 1.00 0.00 H new ATOM 469 N ASP A 35 -5.826 13.198 2.977 1.00 0.00 N ATOM 470 CA ASP A 35 -7.218 13.059 2.548 1.00 0.00 C ATOM 471 C ASP A 35 -7.257 12.200 1.283 1.00 0.00 C ATOM 472 O ASP A 35 -6.813 12.655 0.223 1.00 0.00 O ATOM 473 CB ASP A 35 -7.853 14.424 2.234 1.00 0.00 C ATOM 474 CG ASP A 35 -7.820 15.414 3.392 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.508 15.183 4.412 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.065 16.408 3.269 1.00 0.00 O ATOM 0 H ASP A 35 -5.364 14.000 2.548 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.781 12.597 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.337 14.864 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.889 14.269 1.934 1.00 0.00 H new ATOM 481 N ILE A 36 -7.751 10.965 1.381 1.00 0.00 N ATOM 482 CA ILE A 36 -7.952 10.041 0.273 1.00 0.00 C ATOM 483 C ILE A 36 -9.437 9.701 0.208 1.00 0.00 C ATOM 484 O ILE A 36 -10.058 9.435 1.236 1.00 0.00 O ATOM 485 CB ILE A 36 -7.098 8.774 0.503 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.598 9.079 0.342 1.00 0.00 C ATOM 487 CG2 ILE A 36 -7.475 7.639 -0.458 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.904 9.388 1.663 1.00 0.00 C ATOM 0 H ILE A 36 -8.033 10.567 2.277 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.643 10.487 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.302 8.451 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.109 8.226 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.476 9.927 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.848 6.770 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.522 7.372 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.323 7.967 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.849 9.594 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.370 10.259 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.996 8.532 2.331 1.00 0.00 H new ATOM 500 N THR A 37 -9.989 9.643 -1.000 1.00 0.00 N ATOM 501 CA THR A 37 -11.288 9.017 -1.227 1.00 0.00 C ATOM 502 C THR A 37 -11.101 7.498 -1.291 1.00 0.00 C ATOM 503 O THR A 37 -10.266 7.054 -2.078 1.00 0.00 O ATOM 504 CB THR A 37 -11.880 9.519 -2.555 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.627 10.894 -2.770 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.386 9.319 -2.545 1.00 0.00 C ATOM 0 H THR A 37 -9.555 10.024 -1.841 1.00 0.00 H new ATOM 0 HA THR A 37 -11.968 9.273 -0.414 1.00 0.00 H new ATOM 0 HB THR A 37 -11.405 8.948 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.720 11.008 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.807 9.674 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.612 8.259 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.822 9.879 -1.718 1.00 0.00 H new ATOM 514 N SER A 38 -11.867 6.694 -0.546 1.00 0.00 N ATOM 515 CA SER A 38 -11.697 5.240 -0.545 1.00 0.00 C ATOM 516 C SER A 38 -13.033 4.516 -0.312 1.00 0.00 C ATOM 517 O SER A 38 -13.266 3.938 0.755 1.00 0.00 O ATOM 518 CB SER A 38 -10.587 4.869 0.460 1.00 0.00 C ATOM 519 OG SER A 38 -10.617 5.649 1.648 1.00 0.00 O ATOM 0 H SER A 38 -12.612 7.028 0.065 1.00 0.00 H new ATOM 0 HA SER A 38 -11.372 4.895 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.683 3.816 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.616 4.990 -0.021 1.00 0.00 H new ATOM 0 HG SER A 38 -9.836 5.435 2.200 1.00 0.00 H new ATOM 525 N TYR A 39 -13.932 4.529 -1.303 1.00 0.00 N ATOM 526 CA TYR A 39 -15.240 3.878 -1.187 1.00 0.00 C ATOM 527 C TYR A 39 -15.801 3.458 -2.549 1.00 0.00 C ATOM 528 O TYR A 39 -15.300 3.859 -3.599 1.00 0.00 O ATOM 529 CB TYR A 39 -16.224 4.820 -0.455 1.00 0.00 C ATOM 530 CG TYR A 39 -16.603 6.109 -1.173 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.667 6.124 -2.097 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.930 7.309 -0.876 1.00 0.00 C ATOM 533 CE1 TYR A 39 -18.037 7.320 -2.741 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.309 8.508 -1.502 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.342 8.514 -2.462 1.00 0.00 C ATOM 536 OH TYR A 39 -17.679 9.665 -3.103 1.00 0.00 O ATOM 0 H TYR A 39 -13.774 4.987 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.111 2.964 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.139 4.263 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.789 5.083 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.203 5.211 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.118 7.308 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.853 7.323 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.807 9.430 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.101 10.393 -2.793 1.00 0.00 H new ATOM 546 N LYS A 40 -16.899 2.698 -2.533 1.00 0.00 N ATOM 547 CA LYS A 40 -17.744 2.387 -3.686 1.00 0.00 C ATOM 548 C LYS A 40 -19.172 2.806 -3.375 1.00 0.00 C ATOM 549 O LYS A 40 -19.614 2.714 -2.230 1.00 0.00 O ATOM 550 CB LYS A 40 -17.623 0.914 -4.049 1.00 0.00 C ATOM 551 CG LYS A 40 -18.053 -0.125 -3.005 1.00 0.00 C ATOM 552 CD LYS A 40 -19.449 -0.706 -3.286 1.00 0.00 C ATOM 553 CE LYS A 40 -19.399 -2.190 -2.919 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.575 -2.989 -3.322 1.00 0.00 N ATOM 0 H LYS A 40 -17.238 2.263 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.416 2.945 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.211 0.743 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.582 0.718 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.324 -0.935 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.048 0.335 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.207 -0.189 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.716 -0.577 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.511 -2.629 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.278 -2.275 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.441 -3.977 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.428 -2.605 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.685 -2.948 -4.355 1.00 0.00 H new ATOM 568 N LYS A 41 -19.899 3.295 -4.371 1.00 0.00 N ATOM 569 CA LYS A 41 -21.215 3.894 -4.232 1.00 0.00 C ATOM 570 C LYS A 41 -22.180 3.033 -5.016 1.00 0.00 C ATOM 571 O LYS A 41 -21.852 2.637 -6.129 1.00 0.00 O ATOM 572 CB LYS A 41 -21.147 5.310 -4.802 1.00 0.00 C ATOM 573 CG LYS A 41 -22.386 6.156 -4.516 1.00 0.00 C ATOM 574 CD LYS A 41 -22.199 7.550 -5.124 1.00 0.00 C ATOM 575 CE LYS A 41 -23.135 8.547 -4.443 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.911 9.909 -4.960 1.00 0.00 N ATOM 0 H LYS A 41 -19.572 3.283 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.543 3.952 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.273 5.814 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.002 5.250 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.271 5.679 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.547 6.234 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.164 7.871 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.403 7.519 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.171 8.254 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.971 8.530 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.557 10.571 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.927 10.193 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.091 9.925 -5.984 1.00 0.00 H new ATOM 590 N THR A 42 -23.318 2.721 -4.406 1.00 0.00 N ATOM 591 CA THR A 42 -24.393 1.875 -4.908 1.00 0.00 C ATOM 592 C THR A 42 -25.404 1.750 -3.754 1.00 0.00 C ATOM 593 O THR A 42 -25.289 2.465 -2.750 1.00 0.00 O ATOM 594 CB THR A 42 -23.851 0.536 -5.462 1.00 0.00 C ATOM 595 OG1 THR A 42 -24.889 -0.268 -5.957 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.039 -0.271 -4.437 1.00 0.00 C ATOM 0 H THR A 42 -23.528 3.081 -3.475 1.00 0.00 H new ATOM 0 HA THR A 42 -24.899 2.305 -5.772 1.00 0.00 H new ATOM 0 HB THR A 42 -23.176 0.816 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.517 -1.107 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.691 -1.197 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.181 0.316 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.668 -0.506 -3.578 1.00 0.00 H new ATOM 604 N GLY A 43 -26.411 0.885 -3.880 1.00 0.00 N ATOM 605 CA GLY A 43 -27.528 0.797 -2.954 1.00 0.00 C ATOM 606 C GLY A 43 -28.169 2.169 -2.853 1.00 0.00 C ATOM 607 O GLY A 43 -28.743 2.639 -3.835 1.00 0.00 O ATOM 0 H GLY A 43 -26.469 0.214 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.254 0.063 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -27.184 0.465 -1.974 1.00 0.00 H new ATOM 611 N ASN A 44 -27.987 2.852 -1.725 1.00 0.00 N ATOM 612 CA ASN A 44 -28.297 4.270 -1.566 1.00 0.00 C ATOM 613 C ASN A 44 -27.249 4.940 -0.662 1.00 0.00 C ATOM 614 O ASN A 44 -27.557 5.890 0.055 1.00 0.00 O ATOM 615 CB ASN A 44 -29.740 4.417 -1.048 1.00 0.00 C ATOM 616 CG ASN A 44 -30.253 5.843 -1.208 1.00 0.00 C ATOM 617 OD1 ASN A 44 -30.354 6.338 -2.327 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.633 6.510 -0.131 1.00 0.00 N ATOM 0 H ASN A 44 -27.612 2.425 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.246 4.787 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.393 3.732 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.780 4.131 0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.017 7.451 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.542 6.084 0.791 1.00 0.00 H new ATOM 625 N SER A 45 -26.027 4.397 -0.603 1.00 0.00 N ATOM 626 CA SER A 45 -24.953 4.842 0.285 1.00 0.00 C ATOM 627 C SER A 45 -23.582 4.562 -0.350 1.00 0.00 C ATOM 628 O SER A 45 -23.468 4.314 -1.556 1.00 0.00 O ATOM 629 CB SER A 45 -25.087 4.149 1.653 1.00 0.00 C ATOM 630 OG SER A 45 -26.401 4.220 2.189 1.00 0.00 O ATOM 0 H SER A 45 -25.753 3.611 -1.192 1.00 0.00 H new ATOM 0 HA SER A 45 -25.035 5.918 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.798 3.103 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.390 4.607 2.355 1.00 0.00 H new ATOM 0 HG SER A 45 -26.426 3.763 3.056 1.00 0.00 H new ATOM 636 N THR A 46 -22.534 4.627 0.467 1.00 0.00 N ATOM 637 CA THR A 46 -21.134 4.551 0.099 1.00 0.00 C ATOM 638 C THR A 46 -20.463 3.516 1.012 1.00 0.00 C ATOM 639 O THR A 46 -20.186 3.804 2.176 1.00 0.00 O ATOM 640 CB THR A 46 -20.533 5.966 0.234 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.077 6.624 1.368 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.885 6.817 -0.991 1.00 0.00 C ATOM 0 H THR A 46 -22.656 4.742 1.473 1.00 0.00 H new ATOM 0 HA THR A 46 -20.981 4.227 -0.930 1.00 0.00 H new ATOM 0 HB THR A 46 -19.453 5.856 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.013 6.036 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.453 7.812 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.484 6.346 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.968 6.899 -1.078 1.00 0.00 H new ATOM 650 N LYS A 47 -20.271 2.280 0.538 1.00 0.00 N ATOM 651 CA LYS A 47 -19.533 1.261 1.287 1.00 0.00 C ATOM 652 C LYS A 47 -18.053 1.639 1.231 1.00 0.00 C ATOM 653 O LYS A 47 -17.523 1.831 0.134 1.00 0.00 O ATOM 654 CB LYS A 47 -19.829 -0.153 0.744 1.00 0.00 C ATOM 655 CG LYS A 47 -18.864 -1.216 1.302 1.00 0.00 C ATOM 656 CD LYS A 47 -19.335 -2.667 1.136 1.00 0.00 C ATOM 657 CE LYS A 47 -20.446 -3.021 2.131 1.00 0.00 C ATOM 658 NZ LYS A 47 -20.729 -4.470 2.170 1.00 0.00 N ATOM 0 H LYS A 47 -20.619 1.962 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.849 1.230 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.853 -0.428 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.762 -0.142 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.899 -1.104 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.705 -1.020 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.696 -2.818 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.491 -3.342 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.159 -2.683 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.355 -2.483 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.487 -4.657 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.029 -4.791 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.870 -4.984 2.453 1.00 0.00 H new ATOM 672 N ALA A 48 -17.421 1.804 2.392 1.00 0.00 N ATOM 673 CA ALA A 48 -15.985 2.017 2.506 1.00 0.00 C ATOM 674 C ALA A 48 -15.231 0.793 1.987 1.00 0.00 C ATOM 675 O ALA A 48 -15.792 -0.299 1.917 1.00 0.00 O ATOM 676 CB ALA A 48 -15.625 2.250 3.976 1.00 0.00 C ATOM 0 H ALA A 48 -17.902 1.793 3.291 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.703 2.887 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.551 2.410 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.155 3.128 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.913 1.378 4.564 1.00 0.00 H new ATOM 682 N LEU A 49 -13.950 0.977 1.667 1.00 0.00 N ATOM 683 CA LEU A 49 -13.014 -0.104 1.371 1.00 0.00 C ATOM 684 C LEU A 49 -11.677 0.203 2.042 1.00 0.00 C ATOM 685 O LEU A 49 -11.336 1.379 2.201 1.00 0.00 O ATOM 686 CB LEU A 49 -12.820 -0.237 -0.146 1.00 0.00 C ATOM 687 CG LEU A 49 -14.085 -0.655 -0.909 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.881 -0.477 -2.406 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.525 -2.095 -0.618 1.00 0.00 C ATOM 0 H LEU A 49 -13.526 1.903 1.605 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.411 -1.045 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.470 0.717 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.035 -0.969 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.883 -0.002 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.786 -0.777 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.665 0.569 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.046 -1.095 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.424 -2.323 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.729 -2.783 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.735 -2.203 0.446 1.00 0.00 H new ATOM 701 N SER A 50 -10.906 -0.840 2.355 1.00 0.00 N ATOM 702 CA SER A 50 -9.609 -0.759 3.031 1.00 0.00 C ATOM 703 C SER A 50 -8.500 -1.248 2.089 1.00 0.00 C ATOM 704 O SER A 50 -8.786 -1.874 1.061 1.00 0.00 O ATOM 705 CB SER A 50 -9.672 -1.581 4.325 1.00 0.00 C ATOM 706 OG SER A 50 -10.771 -1.158 5.115 1.00 0.00 O ATOM 0 H SER A 50 -11.177 -1.799 2.137 1.00 0.00 H new ATOM 0 HA SER A 50 -9.377 0.273 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.770 -2.640 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.744 -1.464 4.885 1.00 0.00 H new ATOM 0 HG SER A 50 -10.805 -1.688 5.938 1.00 0.00 H new ATOM 712 N TRP A 51 -7.229 -0.973 2.396 1.00 0.00 N ATOM 713 CA TRP A 51 -6.126 -1.173 1.456 1.00 0.00 C ATOM 714 C TRP A 51 -4.801 -1.608 2.075 1.00 0.00 C ATOM 715 O TRP A 51 -4.574 -1.441 3.275 1.00 0.00 O ATOM 716 CB TRP A 51 -5.884 0.123 0.691 1.00 0.00 C ATOM 717 CG TRP A 51 -5.407 1.327 1.438 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.119 1.738 1.503 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.198 2.369 2.082 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.065 2.989 2.085 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.328 3.453 2.400 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.576 2.557 2.330 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.819 4.684 2.866 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.064 3.763 2.865 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.192 4.835 3.118 1.00 0.00 C ATOM 0 H TRP A 51 -6.938 -0.606 3.302 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.446 -1.995 0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.156 -0.088 -0.092 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.817 0.392 0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.266 1.175 1.154 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.203 3.505 2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.268 1.759 2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.143 5.511 3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.117 3.866 3.083 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.575 5.768 3.503 1.00 0.00 H new ATOM 736 N ASN A 52 -3.902 -2.072 1.203 1.00 0.00 N ATOM 737 CA ASN A 52 -2.532 -2.488 1.479 1.00 0.00 C ATOM 738 C ASN A 52 -1.571 -1.655 0.631 1.00 0.00 C ATOM 739 O ASN A 52 -1.941 -1.181 -0.446 1.00 0.00 O ATOM 740 CB ASN A 52 -2.359 -3.988 1.163 1.00 0.00 C ATOM 741 CG ASN A 52 -2.929 -4.381 -0.200 1.00 0.00 C ATOM 742 OD1 ASN A 52 -4.122 -4.656 -0.299 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.151 -4.390 -1.270 1.00 0.00 N ATOM 0 H ASN A 52 -4.134 -2.172 0.215 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.311 -2.330 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.299 -4.240 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.849 -4.576 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.541 -4.626 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.161 -4.161 -1.183 1.00 0.00 H new ATOM 750 N ALA A 53 -0.331 -1.499 1.104 1.00 0.00 N ATOM 751 CA ALA A 53 0.804 -0.939 0.371 1.00 0.00 C ATOM 752 C ALA A 53 2.074 -1.634 0.857 1.00 0.00 C ATOM 753 O ALA A 53 2.157 -1.985 2.038 1.00 0.00 O ATOM 754 CB ALA A 53 0.932 0.570 0.616 1.00 0.00 C ATOM 0 H ALA A 53 -0.081 -1.774 2.054 1.00 0.00 H new ATOM 0 HA ALA A 53 0.652 -1.098 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.784 0.958 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.023 1.071 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.080 0.755 1.680 1.00 0.00 H new ATOM 760 N SER A 54 3.067 -1.795 -0.018 1.00 0.00 N ATOM 761 CA SER A 54 4.415 -2.216 0.365 1.00 0.00 C ATOM 762 C SER A 54 5.405 -2.004 -0.782 1.00 0.00 C ATOM 763 O SER A 54 5.003 -2.030 -1.955 1.00 0.00 O ATOM 764 CB SER A 54 4.428 -3.682 0.831 1.00 0.00 C ATOM 765 OG SER A 54 3.522 -4.512 0.121 1.00 0.00 O ATOM 0 H SER A 54 2.958 -1.636 -1.020 1.00 0.00 H new ATOM 0 HA SER A 54 4.729 -1.593 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.436 -4.081 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.186 -3.719 1.893 1.00 0.00 H new ATOM 0 HG SER A 54 3.581 -5.428 0.464 1.00 0.00 H new ATOM 771 N GLY A 55 6.693 -1.836 -0.465 1.00 0.00 N ATOM 772 CA GLY A 55 7.750 -1.792 -1.465 1.00 0.00 C ATOM 773 C GLY A 55 9.140 -1.652 -0.860 1.00 0.00 C ATOM 774 O GLY A 55 9.960 -2.566 -0.924 1.00 0.00 O ATOM 0 H GLY A 55 7.026 -1.727 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.712 -2.701 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.568 -0.956 -2.140 1.00 0.00 H new ATOM 778 N ASP A 56 9.392 -0.480 -0.294 1.00 0.00 N ATOM 779 CA ASP A 56 10.641 -0.074 0.353 1.00 0.00 C ATOM 780 C ASP A 56 10.749 -0.742 1.741 1.00 0.00 C ATOM 781 O ASP A 56 9.846 -1.488 2.151 1.00 0.00 O ATOM 782 CB ASP A 56 10.657 1.473 0.437 1.00 0.00 C ATOM 783 CG ASP A 56 11.395 2.141 -0.728 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.651 2.123 -0.715 1.00 0.00 O ATOM 785 OD2 ASP A 56 10.742 2.716 -1.623 1.00 0.00 O ATOM 0 H ASP A 56 8.691 0.260 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 56 11.509 -0.398 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.630 1.838 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.126 1.773 1.374 1.00 0.00 H new ATOM 790 N SER A 57 11.755 -0.386 2.548 1.00 0.00 N ATOM 791 CA SER A 57 11.871 -0.733 3.971 1.00 0.00 C ATOM 792 C SER A 57 11.912 0.496 4.909 1.00 0.00 C ATOM 793 O SER A 57 12.381 0.363 6.046 1.00 0.00 O ATOM 794 CB SER A 57 13.056 -1.702 4.160 1.00 0.00 C ATOM 795 OG SER A 57 12.595 -3.039 4.168 1.00 0.00 O ATOM 0 H SER A 57 12.541 0.173 2.216 1.00 0.00 H new ATOM 0 HA SER A 57 10.959 -1.246 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.780 -1.564 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.571 -1.481 5.095 1.00 0.00 H new ATOM 0 HG SER A 57 13.355 -3.646 4.287 1.00 0.00 H new ATOM 801 N TRP A 58 11.389 1.659 4.486 1.00 0.00 N ATOM 802 CA TRP A 58 11.315 2.877 5.309 1.00 0.00 C ATOM 803 C TRP A 58 9.969 3.622 5.249 1.00 0.00 C ATOM 804 O TRP A 58 9.816 4.611 5.971 1.00 0.00 O ATOM 805 CB TRP A 58 12.479 3.832 4.967 1.00 0.00 C ATOM 806 CG TRP A 58 12.643 4.233 3.521 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.054 3.388 2.552 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.463 5.530 2.851 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.081 4.032 1.339 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.832 5.377 1.479 1.00 0.00 C ATOM 811 CE3 TRP A 58 12.050 6.824 3.243 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.865 6.447 0.574 1.00 0.00 C ATOM 813 CZ3 TRP A 58 12.030 7.900 2.327 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.463 7.720 1.003 1.00 0.00 C ATOM 0 H TRP A 58 11.001 1.781 3.551 1.00 0.00 H new ATOM 0 HA TRP A 58 11.403 2.532 6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.355 4.740 5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.407 3.364 5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.323 2.354 2.708 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.263 3.571 0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.743 6.994 4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.196 6.293 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.679 8.869 2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.486 8.556 0.320 1.00 0.00 H new ATOM 825 N ILE A 59 9.004 3.183 4.438 1.00 0.00 N ATOM 826 CA ILE A 59 7.783 3.894 4.060 1.00 0.00 C ATOM 827 C ILE A 59 6.583 3.058 4.531 1.00 0.00 C ATOM 828 O ILE A 59 6.445 1.892 4.153 1.00 0.00 O ATOM 829 CB ILE A 59 7.768 4.122 2.525 1.00 0.00 C ATOM 830 CG1 ILE A 59 9.073 4.786 2.016 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.536 4.955 2.126 1.00 0.00 C ATOM 832 CD1 ILE A 59 9.142 4.996 0.499 1.00 0.00 C ATOM 0 H ILE A 59 9.059 2.263 4.001 1.00 0.00 H new ATOM 0 HA ILE A 59 7.734 4.876 4.531 1.00 0.00 H new ATOM 0 HB ILE A 59 7.707 3.144 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.187 5.752 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.919 4.171 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.535 5.109 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.629 4.426 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.571 5.921 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.091 5.466 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.064 4.033 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.320 5.639 0.183 1.00 0.00 H new ATOM 844 N HIS A 60 5.705 3.629 5.353 1.00 0.00 N ATOM 845 CA HIS A 60 4.651 2.894 6.046 1.00 0.00 C ATOM 846 C HIS A 60 3.275 3.478 5.725 1.00 0.00 C ATOM 847 O HIS A 60 3.153 4.584 5.184 1.00 0.00 O ATOM 848 CB HIS A 60 4.947 2.886 7.553 1.00 0.00 C ATOM 849 CG HIS A 60 6.186 2.101 7.912 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.208 0.812 8.394 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.485 2.520 7.790 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.491 0.460 8.561 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.311 1.452 8.169 1.00 0.00 N ATOM 0 H HIS A 60 5.706 4.628 5.559 1.00 0.00 H new ATOM 0 HA HIS A 60 4.634 1.861 5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.062 3.913 7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.092 2.465 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.813 3.495 7.462 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.821 -0.490 8.956 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.331 1.431 8.151 1.00 0.00 H new ATOM 861 N VAL A 61 2.226 2.721 6.052 1.00 0.00 N ATOM 862 CA VAL A 61 0.844 3.102 5.824 1.00 0.00 C ATOM 863 C VAL A 61 -0.012 2.528 6.954 1.00 0.00 C ATOM 864 O VAL A 61 0.182 1.387 7.389 1.00 0.00 O ATOM 865 CB VAL A 61 0.411 2.639 4.414 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.338 1.110 4.263 1.00 0.00 C ATOM 867 CG2 VAL A 61 -0.921 3.271 3.991 1.00 0.00 C ATOM 0 H VAL A 61 2.323 1.806 6.492 1.00 0.00 H new ATOM 0 HA VAL A 61 0.714 4.184 5.843 1.00 0.00 H new ATOM 0 HB VAL A 61 1.199 2.989 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.028 0.859 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.319 0.678 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.385 0.708 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.190 2.920 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.700 2.986 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.821 4.356 3.979 1.00 0.00 H new ATOM 877 N ASN A 62 -0.993 3.300 7.417 1.00 0.00 N ATOM 878 CA ASN A 62 -1.936 2.896 8.443 1.00 0.00 C ATOM 879 C ASN A 62 -3.328 3.337 8.000 1.00 0.00 C ATOM 880 O ASN A 62 -3.943 4.237 8.579 1.00 0.00 O ATOM 881 CB ASN A 62 -1.482 3.422 9.819 1.00 0.00 C ATOM 882 CG ASN A 62 -1.026 2.264 10.688 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.844 1.633 11.360 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.251 1.933 10.663 1.00 0.00 N ATOM 0 H ASN A 62 -1.153 4.248 7.076 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.974 1.814 8.568 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.669 4.137 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.302 3.952 10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.582 1.137 11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.907 2.473 10.098 1.00 0.00 H new ATOM 891 N GLY A 63 -3.826 2.723 6.923 1.00 0.00 N ATOM 892 CA GLY A 63 -4.978 3.241 6.204 1.00 0.00 C ATOM 893 C GLY A 63 -4.643 4.653 5.735 1.00 0.00 C ATOM 894 O GLY A 63 -3.672 4.837 5.002 1.00 0.00 O ATOM 0 H GLY A 63 -3.442 1.862 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.215 2.603 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.857 3.252 6.849 1.00 0.00 H new ATOM 898 N SER A 64 -5.412 5.640 6.193 1.00 0.00 N ATOM 899 CA SER A 64 -5.277 7.056 5.870 1.00 0.00 C ATOM 900 C SER A 64 -3.900 7.647 6.192 1.00 0.00 C ATOM 901 O SER A 64 -3.509 8.665 5.612 1.00 0.00 O ATOM 902 CB SER A 64 -6.363 7.807 6.654 1.00 0.00 C ATOM 903 OG SER A 64 -6.576 7.271 7.961 1.00 0.00 O ATOM 0 H SER A 64 -6.186 5.462 6.833 1.00 0.00 H new ATOM 0 HA SER A 64 -5.390 7.166 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.083 8.857 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.298 7.771 6.095 1.00 0.00 H new ATOM 0 HG SER A 64 -7.275 7.786 8.416 1.00 0.00 H new ATOM 909 N SER A 65 -3.189 7.051 7.142 1.00 0.00 N ATOM 910 CA SER A 65 -2.000 7.615 7.753 1.00 0.00 C ATOM 911 C SER A 65 -0.759 7.114 7.007 1.00 0.00 C ATOM 912 O SER A 65 -0.752 5.982 6.518 1.00 0.00 O ATOM 913 CB SER A 65 -2.032 7.208 9.229 1.00 0.00 C ATOM 914 OG SER A 65 -3.336 7.425 9.753 1.00 0.00 O ATOM 0 H SER A 65 -3.435 6.135 7.517 1.00 0.00 H new ATOM 0 HA SER A 65 -1.966 8.703 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.756 6.159 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.301 7.787 9.793 1.00 0.00 H new ATOM 0 HG SER A 65 -3.357 7.163 10.697 1.00 0.00 H new ATOM 920 N VAL A 66 0.290 7.929 6.905 1.00 0.00 N ATOM 921 CA VAL A 66 1.480 7.651 6.109 1.00 0.00 C ATOM 922 C VAL A 66 2.712 8.163 6.852 1.00 0.00 C ATOM 923 O VAL A 66 2.669 9.221 7.486 1.00 0.00 O ATOM 924 CB VAL A 66 1.321 8.288 4.709 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.927 9.775 4.754 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.574 8.131 3.832 1.00 0.00 C ATOM 0 H VAL A 66 0.335 8.826 7.389 1.00 0.00 H new ATOM 0 HA VAL A 66 1.608 6.578 5.964 1.00 0.00 H new ATOM 0 HB VAL A 66 0.502 7.728 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.833 10.157 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.026 9.883 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.695 10.339 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.400 8.598 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.422 8.612 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.789 7.072 3.691 1.00 0.00 H new ATOM 936 N SER A 67 3.825 7.445 6.716 1.00 0.00 N ATOM 937 CA SER A 67 5.103 7.848 7.278 1.00 0.00 C ATOM 938 C SER A 67 6.209 7.458 6.311 1.00 0.00 C ATOM 939 O SER A 67 6.054 6.493 5.554 1.00 0.00 O ATOM 940 CB SER A 67 5.327 7.159 8.629 1.00 0.00 C ATOM 941 OG SER A 67 4.144 7.179 9.403 1.00 0.00 O ATOM 0 H SER A 67 3.861 6.561 6.208 1.00 0.00 H new ATOM 0 HA SER A 67 5.109 8.927 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.645 6.129 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.130 7.660 9.170 1.00 0.00 H new ATOM 0 HG SER A 67 4.307 6.733 10.261 1.00 0.00 H new ATOM 947 N TYR A 68 7.333 8.164 6.364 1.00 0.00 N ATOM 948 CA TYR A 68 8.557 7.765 5.695 1.00 0.00 C ATOM 949 C TYR A 68 9.726 8.336 6.478 1.00 0.00 C ATOM 950 O TYR A 68 9.778 9.536 6.742 1.00 0.00 O ATOM 951 CB TYR A 68 8.577 8.186 4.221 1.00 0.00 C ATOM 952 CG TYR A 68 7.919 9.505 3.870 1.00 0.00 C ATOM 953 CD1 TYR A 68 8.603 10.723 4.048 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.631 9.497 3.301 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.007 11.936 3.655 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.047 10.697 2.870 1.00 0.00 C ATOM 957 CZ TYR A 68 6.728 11.920 3.053 1.00 0.00 C ATOM 958 OH TYR A 68 6.123 13.068 2.663 1.00 0.00 O ATOM 0 H TYR A 68 7.416 9.040 6.880 1.00 0.00 H new ATOM 0 HA TYR A 68 8.628 6.677 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.616 8.230 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.094 7.402 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.589 10.726 4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.093 8.567 3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.523 12.872 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.076 10.685 2.398 1.00 0.00 H new ATOM 0 HH TYR A 68 5.209 13.092 3.015 1.00 0.00 H new ATOM 968 N ASP A 69 10.653 7.465 6.868 1.00 0.00 N ATOM 969 CA ASP A 69 11.777 7.832 7.717 1.00 0.00 C ATOM 970 C ASP A 69 13.021 7.872 6.845 1.00 0.00 C ATOM 971 O ASP A 69 13.438 6.863 6.273 1.00 0.00 O ATOM 972 CB ASP A 69 11.951 6.849 8.862 1.00 0.00 C ATOM 973 CG ASP A 69 10.793 6.896 9.854 1.00 0.00 C ATOM 974 OD1 ASP A 69 10.769 7.809 10.708 1.00 0.00 O ATOM 975 OD2 ASP A 69 9.871 6.045 9.751 1.00 0.00 O ATOM 0 H ASP A 69 10.643 6.481 6.601 1.00 0.00 H new ATOM 0 HA ASP A 69 11.597 8.808 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.040 5.840 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.882 7.067 9.385 1.00 0.00 H new ATOM 980 N GLU A 70 13.590 9.058 6.692 1.00 0.00 N ATOM 981 CA GLU A 70 14.592 9.310 5.668 1.00 0.00 C ATOM 982 C GLU A 70 15.956 8.718 6.012 1.00 0.00 C ATOM 983 O GLU A 70 16.218 8.290 7.142 1.00 0.00 O ATOM 984 CB GLU A 70 14.569 10.763 5.227 1.00 0.00 C ATOM 985 CG GLU A 70 15.327 11.606 6.219 1.00 0.00 C ATOM 986 CD GLU A 70 15.258 13.077 5.834 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.782 13.443 4.766 1.00 0.00 O ATOM 988 OE2 GLU A 70 14.576 13.850 6.556 1.00 0.00 O ATOM 0 H GLU A 70 13.372 9.869 7.271 1.00 0.00 H new ATOM 0 HA GLU A 70 14.325 8.754 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.015 10.860 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.540 11.113 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.911 11.466 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.367 11.283 6.259 1.00 0.00 H new ATOM 995 N ASN A 71 16.821 8.654 5.002 1.00 0.00 N ATOM 996 CA ASN A 71 18.100 7.987 5.157 1.00 0.00 C ATOM 997 C ASN A 71 18.990 8.788 6.120 1.00 0.00 C ATOM 998 O ASN A 71 18.869 10.009 6.215 1.00 0.00 O ATOM 999 CB ASN A 71 18.738 7.721 3.785 1.00 0.00 C ATOM 1000 CG ASN A 71 19.741 8.784 3.375 1.00 0.00 C ATOM 1001 OD1 ASN A 71 20.935 8.619 3.616 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.306 9.830 2.703 1.00 0.00 N ATOM 0 H ASN A 71 16.657 9.054 4.078 1.00 0.00 H new ATOM 0 HA ASN A 71 17.963 7.005 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.234 6.751 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.952 7.662 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.966 10.531 2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.309 9.939 2.519 1.00 0.00 H new ATOM 1009 N PRO A 72 19.882 8.116 6.859 1.00 0.00 N ATOM 1010 CA PRO A 72 20.622 8.724 7.962 1.00 0.00 C ATOM 1011 C PRO A 72 21.740 9.656 7.492 1.00 0.00 C ATOM 1012 O PRO A 72 22.356 10.329 8.318 1.00 0.00 O ATOM 1013 CB PRO A 72 21.201 7.544 8.744 1.00 0.00 C ATOM 1014 CG PRO A 72 21.383 6.488 7.661 1.00 0.00 C ATOM 1015 CD PRO A 72 20.171 6.696 6.771 1.00 0.00 C ATOM 0 HA PRO A 72 19.965 9.354 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.146 7.800 9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.525 7.207 9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.315 6.629 7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.408 5.482 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.380 6.398 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.325 6.099 7.110 1.00 0.00 H new ATOM 1023 N ALA A 73 22.052 9.670 6.196 1.00 0.00 N ATOM 1024 CA ALA A 73 23.086 10.501 5.608 1.00 0.00 C ATOM 1025 C ALA A 73 22.494 11.442 4.566 1.00 0.00 C ATOM 1026 O ALA A 73 21.301 11.455 4.291 1.00 0.00 O ATOM 1027 CB ALA A 73 24.174 9.613 5.000 1.00 0.00 C ATOM 0 H ALA A 73 21.574 9.084 5.512 1.00 0.00 H new ATOM 0 HA ALA A 73 23.535 11.118 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.950 10.239 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.611 8.988 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.737 8.979 4.229 1.00 0.00 H new ATOM 1033 N LYS A 74 23.370 12.226 3.950 1.00 0.00 N ATOM 1034 CA LYS A 74 23.056 13.334 3.064 1.00 0.00 C ATOM 1035 C LYS A 74 23.038 12.911 1.597 1.00 0.00 C ATOM 1036 O LYS A 74 23.102 13.764 0.714 1.00 0.00 O ATOM 1037 CB LYS A 74 23.983 14.524 3.358 1.00 0.00 C ATOM 1038 CG LYS A 74 25.472 14.160 3.322 1.00 0.00 C ATOM 1039 CD LYS A 74 26.029 13.621 4.659 1.00 0.00 C ATOM 1040 CE LYS A 74 27.000 12.457 4.473 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.382 12.926 4.277 1.00 0.00 N ATOM 0 H LYS A 74 24.375 12.096 4.064 1.00 0.00 H new ATOM 0 HA LYS A 74 22.038 13.668 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.792 15.312 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.740 14.931 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.632 13.410 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.043 15.043 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.535 14.429 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 74 25.200 13.299 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 74 26.957 11.805 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 74 26.693 11.861 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.012 12.108 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.427 13.528 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.684 13.474 5.108 1.00 0.00 H new ATOM 1055 N GLU A 75 23.017 11.611 1.313 1.00 0.00 N ATOM 1056 CA GLU A 75 22.839 11.141 -0.054 1.00 0.00 C ATOM 1057 C GLU A 75 21.340 11.212 -0.377 1.00 0.00 C ATOM 1058 O GLU A 75 20.505 11.163 0.526 1.00 0.00 O ATOM 1059 CB GLU A 75 23.462 9.744 -0.217 1.00 0.00 C ATOM 1060 CG GLU A 75 24.998 9.863 -0.099 1.00 0.00 C ATOM 1061 CD GLU A 75 25.786 8.548 -0.024 1.00 0.00 C ATOM 1062 OE1 GLU A 75 25.439 7.544 -0.692 1.00 0.00 O ATOM 1063 OE2 GLU A 75 26.809 8.527 0.705 1.00 0.00 O ATOM 0 H GLU A 75 23.120 10.871 2.007 1.00 0.00 H new ATOM 0 HA GLU A 75 23.361 11.768 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.077 9.068 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.190 9.321 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.362 10.430 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.227 10.448 0.792 1.00 0.00 H new ATOM 1070 N ARG A 76 20.995 11.380 -1.653 1.00 0.00 N ATOM 1071 CA ARG A 76 19.616 11.521 -2.135 1.00 0.00 C ATOM 1072 C ARG A 76 19.022 10.117 -2.282 1.00 0.00 C ATOM 1073 O ARG A 76 19.707 9.238 -2.807 1.00 0.00 O ATOM 1074 CB ARG A 76 19.646 12.253 -3.497 1.00 0.00 C ATOM 1075 CG ARG A 76 18.341 12.976 -3.852 1.00 0.00 C ATOM 1076 CD ARG A 76 18.076 13.136 -5.359 1.00 0.00 C ATOM 1077 NE ARG A 76 19.171 13.775 -6.120 1.00 0.00 N ATOM 1078 CZ ARG A 76 19.225 15.050 -6.535 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.343 15.942 -6.100 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.173 15.436 -7.384 1.00 0.00 N ATOM 0 H ARG A 76 21.684 11.423 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 76 19.005 12.098 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.459 12.979 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.872 11.530 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.508 12.430 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.355 13.965 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.883 12.152 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.169 13.725 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 76 19.969 13.185 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.615 15.661 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.394 16.908 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.861 14.762 -7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.212 16.406 -7.698 1.00 0.00 H new ATOM 1094 N ARG A 77 17.762 9.873 -1.893 1.00 0.00 N ATOM 1095 CA ARG A 77 17.132 8.556 -2.084 1.00 0.00 C ATOM 1096 C ARG A 77 15.652 8.693 -2.418 1.00 0.00 C ATOM 1097 O ARG A 77 14.809 8.720 -1.527 1.00 0.00 O ATOM 1098 CB ARG A 77 17.363 7.628 -0.863 1.00 0.00 C ATOM 1099 CG ARG A 77 18.489 6.611 -1.104 1.00 0.00 C ATOM 1100 CD ARG A 77 18.110 5.545 -2.150 1.00 0.00 C ATOM 1101 NE ARG A 77 19.313 5.028 -2.808 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.510 3.883 -3.463 1.00 0.00 C ATOM 1103 NH1 ARG A 77 18.558 2.961 -3.566 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.696 3.668 -4.012 1.00 0.00 N ATOM 0 H ARG A 77 17.161 10.566 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 77 17.616 8.083 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.606 8.234 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.439 7.096 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.384 7.137 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.737 6.120 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.571 4.729 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.438 5.976 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 77 20.128 5.640 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.646 3.119 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.739 2.095 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.432 4.370 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.874 2.801 -4.519 1.00 0.00 H new ATOM 1118 N THR A 78 15.323 8.736 -3.706 1.00 0.00 N ATOM 1119 CA THR A 78 13.935 8.720 -4.148 1.00 0.00 C ATOM 1120 C THR A 78 13.296 7.347 -3.870 1.00 0.00 C ATOM 1121 O THR A 78 13.719 6.349 -4.463 1.00 0.00 O ATOM 1122 CB THR A 78 13.874 9.103 -5.631 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.520 10.348 -5.838 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.427 9.213 -6.116 1.00 0.00 C ATOM 0 H THR A 78 16.004 8.782 -4.464 1.00 0.00 H new ATOM 0 HA THR A 78 13.356 9.453 -3.586 1.00 0.00 H new ATOM 0 HB THR A 78 14.378 8.319 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.478 10.584 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.417 9.486 -7.171 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.925 8.254 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.907 9.977 -5.539 1.00 0.00 H new ATOM 1132 N GLY A 79 12.284 7.272 -2.998 1.00 0.00 N ATOM 1133 CA GLY A 79 11.571 6.029 -2.665 1.00 0.00 C ATOM 1134 C GLY A 79 10.362 5.775 -3.569 1.00 0.00 C ATOM 1135 O GLY A 79 9.878 6.708 -4.220 1.00 0.00 O ATOM 0 H GLY A 79 11.930 8.085 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.260 5.188 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.240 6.073 -1.628 1.00 0.00 H new ATOM 1139 N LEU A 80 9.860 4.532 -3.602 1.00 0.00 N ATOM 1140 CA LEU A 80 8.661 4.134 -4.342 1.00 0.00 C ATOM 1141 C LEU A 80 8.121 2.786 -3.843 1.00 0.00 C ATOM 1142 O LEU A 80 8.749 1.739 -4.056 1.00 0.00 O ATOM 1143 CB LEU A 80 8.974 4.000 -5.841 1.00 0.00 C ATOM 1144 CG LEU A 80 7.743 3.670 -6.713 1.00 0.00 C ATOM 1145 CD1 LEU A 80 6.660 4.751 -6.668 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.182 3.504 -8.170 1.00 0.00 C ATOM 0 H LEU A 80 10.292 3.756 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 80 7.911 4.909 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.417 4.931 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.722 3.219 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 80 7.317 2.752 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.824 4.455 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.311 4.874 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.072 5.694 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.314 3.271 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.638 4.430 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.906 2.693 -8.242 1.00 0.00 H new ATOM 1158 N VAL A 81 6.921 2.795 -3.265 1.00 0.00 N ATOM 1159 CA VAL A 81 6.113 1.602 -3.024 1.00 0.00 C ATOM 1160 C VAL A 81 4.984 1.519 -4.062 1.00 0.00 C ATOM 1161 O VAL A 81 4.818 2.441 -4.862 1.00 0.00 O ATOM 1162 CB VAL A 81 5.604 1.576 -1.559 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.721 1.929 -0.567 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.386 2.467 -1.262 1.00 0.00 C ATOM 0 H VAL A 81 6.473 3.653 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 81 6.724 0.708 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 81 5.275 0.545 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.328 1.901 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.533 1.208 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.097 2.929 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.114 2.373 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.633 3.506 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.546 2.154 -1.883 1.00 0.00 H new ATOM 1174 N THR A 82 4.145 0.481 -4.009 1.00 0.00 N ATOM 1175 CA THR A 82 2.852 0.464 -4.701 1.00 0.00 C ATOM 1176 C THR A 82 1.766 0.054 -3.695 1.00 0.00 C ATOM 1177 O THR A 82 2.082 -0.487 -2.628 1.00 0.00 O ATOM 1178 CB THR A 82 2.909 -0.478 -5.923 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.146 -0.391 -6.611 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.779 -0.203 -6.923 1.00 0.00 C ATOM 0 H THR A 82 4.342 -0.372 -3.485 1.00 0.00 H new ATOM 0 HA THR A 82 2.610 1.455 -5.085 1.00 0.00 H new ATOM 0 HB THR A 82 2.793 -1.482 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.139 -1.004 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.862 -0.891 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.816 -0.345 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.854 0.823 -7.284 1.00 0.00 H new ATOM 1188 N LEU A 83 0.494 0.315 -4.025 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.680 0.009 -3.211 1.00 0.00 C ATOM 1190 C LEU A 83 -1.877 -0.415 -4.054 1.00 0.00 C ATOM 1191 O LEU A 83 -1.936 -0.029 -5.222 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.067 1.222 -2.382 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.177 2.553 -3.129 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.624 2.998 -3.124 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.241 3.501 -2.380 1.00 0.00 C ATOM 0 H LEU A 83 0.249 0.765 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.409 -0.826 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.026 1.018 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.333 1.338 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.887 2.505 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.715 3.946 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.238 2.245 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.963 3.123 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.261 4.482 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.568 3.592 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.775 3.106 -2.407 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.855 -1.122 -3.470 1.00 0.00 N ATOM 1208 CA LYS A 84 -4.164 -1.395 -4.081 1.00 0.00 C ATOM 1209 C LYS A 84 -5.225 -1.539 -2.980 1.00 0.00 C ATOM 1210 O LYS A 84 -4.874 -1.727 -1.811 1.00 0.00 O ATOM 1211 CB LYS A 84 -4.074 -2.662 -4.953 1.00 0.00 C ATOM 1212 CG LYS A 84 -5.100 -2.658 -6.102 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.783 -3.703 -7.173 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.817 -3.607 -8.301 1.00 0.00 C ATOM 1215 NZ LYS A 84 -5.490 -4.435 -9.474 1.00 0.00 N ATOM 0 H LYS A 84 -2.756 -1.529 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.457 -0.565 -4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.069 -2.744 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.235 -3.541 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.094 -2.847 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.124 -1.669 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.781 -3.541 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.796 -4.702 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.791 -3.907 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.905 -2.567 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.230 -4.322 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.575 -4.135 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.434 -5.434 -9.189 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.502 -1.379 -3.332 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.641 -1.404 -2.414 1.00 0.00 C ATOM 1231 C GLN A 85 -8.387 -2.736 -2.531 1.00 0.00 C ATOM 1232 O GLN A 85 -8.246 -3.431 -3.533 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.582 -0.242 -2.773 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.431 0.321 -1.616 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.504 1.847 -1.672 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.841 2.536 -0.912 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.273 2.415 -2.585 1.00 0.00 N ATOM 0 H GLN A 85 -6.781 -1.223 -4.301 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.290 -1.298 -1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.984 0.570 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.255 -0.576 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.437 -0.095 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.003 0.010 -0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.825 1.837 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.314 3.432 -2.656 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.245 -3.034 -1.550 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.934 -4.317 -1.406 1.00 0.00 C ATOM 1248 C ASP A 86 -10.722 -4.724 -2.650 1.00 0.00 C ATOM 1249 O ASP A 86 -10.484 -5.792 -3.214 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.869 -4.278 -0.193 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.570 -5.621 0.037 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.920 -6.679 -0.134 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.763 -5.573 0.417 1.00 0.00 O ATOM 0 H ASP A 86 -9.485 -2.369 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.158 -5.069 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.298 -4.011 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.617 -3.499 -0.337 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.655 -3.876 -3.090 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.496 -4.144 -4.256 1.00 0.00 C ATOM 1260 C GLU A 87 -12.301 -3.109 -5.369 1.00 0.00 C ATOM 1261 O GLU A 87 -12.914 -3.235 -6.434 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.975 -4.173 -3.850 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.377 -5.224 -2.814 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.831 -5.650 -3.045 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.749 -4.794 -3.033 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.060 -6.824 -3.419 1.00 0.00 O ATOM 0 H GLU A 87 -11.848 -2.979 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.193 -5.116 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.241 -3.190 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.572 -4.333 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.719 -6.090 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.262 -4.819 -1.808 1.00 0.00 H new ATOM 1273 N SER A 88 -11.531 -2.050 -5.114 1.00 0.00 N ATOM 1274 CA SER A 88 -11.148 -1.055 -6.115 1.00 0.00 C ATOM 1275 C SER A 88 -9.981 -1.593 -6.954 1.00 0.00 C ATOM 1276 O SER A 88 -9.805 -2.803 -7.098 1.00 0.00 O ATOM 1277 CB SER A 88 -10.831 0.309 -5.484 1.00 0.00 C ATOM 1278 OG SER A 88 -11.629 0.598 -4.358 1.00 0.00 O ATOM 0 H SER A 88 -11.149 -1.857 -4.188 1.00 0.00 H new ATOM 0 HA SER A 88 -11.997 -0.883 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.781 0.332 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.972 1.090 -6.231 1.00 0.00 H new ATOM 0 HG SER A 88 -12.141 1.417 -4.522 1.00 0.00 H new ATOM 1284 N GLY A 89 -9.178 -0.697 -7.530 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.975 -1.134 -8.207 1.00 0.00 C ATOM 1286 C GLY A 89 -7.063 -0.023 -8.704 1.00 0.00 C ATOM 1287 O GLY A 89 -6.000 -0.338 -9.226 1.00 0.00 O ATOM 0 H GLY A 89 -9.340 0.310 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.407 -1.770 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.262 -1.753 -9.057 1.00 0.00 H new ATOM 1291 N LYS A 90 -7.409 1.259 -8.525 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.497 2.362 -8.802 1.00 0.00 C ATOM 1293 C LYS A 90 -5.342 2.225 -7.835 1.00 0.00 C ATOM 1294 O LYS A 90 -5.522 2.425 -6.638 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.158 3.742 -8.621 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.824 4.248 -9.908 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.998 5.775 -9.901 1.00 0.00 C ATOM 1298 CE LYS A 90 -8.064 6.376 -11.309 1.00 0.00 C ATOM 1299 NZ LYS A 90 -6.794 6.224 -12.055 1.00 0.00 N ATOM 0 H LYS A 90 -8.325 1.553 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.177 2.309 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.904 3.683 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.406 4.462 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.222 3.955 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.798 3.772 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.910 6.029 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.169 6.227 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.868 5.896 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.314 7.435 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.778 6.891 -12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.993 6.423 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.717 5.251 -12.415 1.00 0.00 H new ATOM 1313 N THR A 91 -4.180 1.821 -8.311 1.00 0.00 N ATOM 1314 CA THR A 91 -2.970 2.038 -7.551 1.00 0.00 C ATOM 1315 C THR A 91 -2.773 3.556 -7.422 1.00 0.00 C ATOM 1316 O THR A 91 -3.266 4.329 -8.257 1.00 0.00 O ATOM 1317 CB THR A 91 -1.827 1.300 -8.261 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.636 1.832 -9.554 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.130 -0.201 -8.444 1.00 0.00 C ATOM 0 H THR A 91 -4.051 1.349 -9.206 1.00 0.00 H new ATOM 0 HA THR A 91 -3.010 1.638 -6.538 1.00 0.00 H new ATOM 0 HB THR A 91 -0.944 1.426 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.904 1.356 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.293 -0.682 -8.951 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.278 -0.664 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.033 -0.320 -9.042 1.00 0.00 H new ATOM 1327 N LEU A 92 -2.059 4.009 -6.392 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.559 5.385 -6.383 1.00 0.00 C ATOM 1329 C LEU A 92 -0.081 5.308 -6.759 1.00 0.00 C ATOM 1330 O LEU A 92 0.392 4.283 -7.265 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.838 6.055 -5.028 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.339 6.244 -4.679 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.427 6.670 -3.209 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -4.084 7.268 -5.549 1.00 0.00 C ATOM 0 H LEU A 92 -1.817 3.458 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.070 6.022 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.372 5.459 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.354 7.031 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.831 5.291 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.472 6.811 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.986 5.897 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.885 7.605 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.124 7.329 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.614 8.246 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.043 6.957 -6.593 1.00 0.00 H new ATOM 1346 N SER A 93 0.654 6.390 -6.544 1.00 0.00 N ATOM 1347 CA SER A 93 2.097 6.359 -6.463 1.00 0.00 C ATOM 1348 C SER A 93 2.470 7.427 -5.448 1.00 0.00 C ATOM 1349 O SER A 93 2.253 8.620 -5.680 1.00 0.00 O ATOM 1350 CB SER A 93 2.711 6.570 -7.845 1.00 0.00 C ATOM 1351 OG SER A 93 4.122 6.492 -7.834 1.00 0.00 O ATOM 0 H SER A 93 0.256 7.321 -6.420 1.00 0.00 H new ATOM 0 HA SER A 93 2.489 5.396 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.315 5.822 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.408 7.545 -8.227 1.00 0.00 H new ATOM 0 HG SER A 93 4.464 6.632 -8.741 1.00 0.00 H new ATOM 1357 N LEU A 94 2.974 6.971 -4.313 1.00 0.00 N ATOM 1358 CA LEU A 94 3.694 7.772 -3.339 1.00 0.00 C ATOM 1359 C LEU A 94 5.138 7.837 -3.816 1.00 0.00 C ATOM 1360 O LEU A 94 5.776 6.792 -3.949 1.00 0.00 O ATOM 1361 CB LEU A 94 3.601 7.135 -1.942 1.00 0.00 C ATOM 1362 CG LEU A 94 4.506 7.791 -0.875 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.286 9.298 -0.698 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.261 7.088 0.465 1.00 0.00 C ATOM 0 H LEU A 94 2.889 5.993 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 94 3.269 8.772 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.566 7.185 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.860 6.079 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 94 5.533 7.676 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.961 9.677 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.485 9.808 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.255 9.482 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.892 7.537 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.214 7.197 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.503 6.030 0.370 1.00 0.00 H new ATOM 1376 N LYS A 95 5.675 9.029 -4.037 1.00 0.00 N ATOM 1377 CA LYS A 95 7.104 9.255 -4.168 1.00 0.00 C ATOM 1378 C LYS A 95 7.520 10.238 -3.089 1.00 0.00 C ATOM 1379 O LYS A 95 6.731 11.072 -2.646 1.00 0.00 O ATOM 1380 CB LYS A 95 7.439 9.802 -5.564 1.00 0.00 C ATOM 1381 CG LYS A 95 8.276 8.813 -6.377 1.00 0.00 C ATOM 1382 CD LYS A 95 8.577 9.407 -7.756 1.00 0.00 C ATOM 1383 CE LYS A 95 9.720 8.689 -8.477 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.443 7.259 -8.726 1.00 0.00 N ATOM 0 H LYS A 95 5.119 9.879 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 95 7.647 8.318 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.515 10.022 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.982 10.742 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.206 8.592 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.740 7.870 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.678 9.358 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.830 10.461 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.911 9.187 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.629 8.778 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.253 6.829 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.288 6.772 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.592 7.168 -9.317 1.00 0.00 H new ATOM 1398 N ILE A 96 8.787 10.160 -2.711 1.00 0.00 N ATOM 1399 CA ILE A 96 9.441 11.093 -1.811 1.00 0.00 C ATOM 1400 C ILE A 96 10.733 11.445 -2.533 1.00 0.00 C ATOM 1401 O ILE A 96 11.479 10.524 -2.876 1.00 0.00 O ATOM 1402 CB ILE A 96 9.651 10.436 -0.423 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.310 10.043 0.233 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.423 11.369 0.513 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.067 8.533 0.173 1.00 0.00 C ATOM 0 H ILE A 96 9.408 9.419 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 96 8.865 11.993 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 96 10.233 9.529 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.304 10.371 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.494 10.562 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.557 10.885 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.398 11.592 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.864 12.295 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.113 8.299 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.046 8.209 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.869 8.014 0.698 1.00 0.00 H new ATOM 1417 N VAL A 97 10.969 12.724 -2.828 1.00 0.00 N ATOM 1418 CA VAL A 97 12.174 13.203 -3.501 1.00 0.00 C ATOM 1419 C VAL A 97 12.736 14.320 -2.626 1.00 0.00 C ATOM 1420 O VAL A 97 12.156 15.397 -2.572 1.00 0.00 O ATOM 1421 CB VAL A 97 11.850 13.706 -4.926 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.134 14.126 -5.662 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.123 12.680 -5.807 1.00 0.00 C ATOM 0 H VAL A 97 10.313 13.471 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 97 12.904 12.403 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 97 11.180 14.552 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.882 14.476 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.624 14.928 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.807 13.272 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.934 13.113 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.743 11.790 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.176 12.407 -5.342 1.00 0.00 H new ATOM 1433 N GLN A 98 13.825 14.060 -1.908 1.00 0.00 N ATOM 1434 CA GLN A 98 14.434 14.997 -0.973 1.00 0.00 C ATOM 1435 C GLN A 98 15.954 14.884 -0.993 1.00 0.00 C ATOM 1436 O GLN A 98 16.492 13.974 -1.631 1.00 0.00 O ATOM 1437 CB GLN A 98 13.835 14.861 0.438 1.00 0.00 C ATOM 1438 CG GLN A 98 13.182 13.532 0.820 1.00 0.00 C ATOM 1439 CD GLN A 98 14.057 12.283 0.920 1.00 0.00 C ATOM 1440 OE1 GLN A 98 14.939 12.007 0.109 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.784 11.455 1.914 1.00 0.00 N ATOM 0 H GLN A 98 14.319 13.170 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 98 14.195 16.008 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.629 15.061 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.089 15.646 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.693 13.670 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.398 13.328 0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.052 11.687 2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.306 10.584 2.010 1.00 0.00 H new ATOM 1450 N PRO A 99 16.675 15.857 -0.417 1.00 0.00 N ATOM 1451 CA PRO A 99 18.030 15.644 0.067 1.00 0.00 C ATOM 1452 C PRO A 99 18.048 14.621 1.203 1.00 0.00 C ATOM 1453 O PRO A 99 17.024 14.041 1.565 1.00 0.00 O ATOM 1454 CB PRO A 99 18.505 17.031 0.508 1.00 0.00 C ATOM 1455 CG PRO A 99 17.221 17.711 0.968 1.00 0.00 C ATOM 1456 CD PRO A 99 16.193 17.178 -0.022 1.00 0.00 C ATOM 0 HA PRO A 99 18.692 15.228 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.238 16.968 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.977 17.574 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.969 17.449 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.300 18.797 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.205 17.114 0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.103 17.837 -0.886 1.00 0.00 H new ATOM 1464 N GLY A 100 19.238 14.384 1.747 1.00 0.00 N ATOM 1465 CA GLY A 100 19.408 13.541 2.913 1.00 0.00 C ATOM 1466 C GLY A 100 19.788 14.363 4.148 1.00 0.00 C ATOM 1467 O GLY A 100 20.056 15.568 4.048 1.00 0.00 O ATOM 0 H GLY A 100 20.109 14.774 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.484 12.996 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.181 12.798 2.717 1.00 0.00 H new ATOM 1471 N LYS A 101 19.870 13.696 5.300 1.00 0.00 N ATOM 1472 CA LYS A 101 20.078 14.312 6.610 1.00 0.00 C ATOM 1473 C LYS A 101 21.523 14.748 6.814 1.00 0.00 C ATOM 1474 O LYS A 101 22.456 13.987 6.536 1.00 0.00 O ATOM 1475 CB LYS A 101 19.665 13.342 7.734 1.00 0.00 C ATOM 1476 CG LYS A 101 18.155 13.422 7.974 1.00 0.00 C ATOM 1477 CD LYS A 101 17.702 12.667 9.231 1.00 0.00 C ATOM 1478 CE LYS A 101 17.553 11.154 9.034 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.374 10.471 10.335 1.00 0.00 N ATOM 0 H LYS A 101 19.791 12.680 5.348 1.00 0.00 H new ATOM 0 HA LYS A 101 19.451 15.203 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 101 19.944 12.323 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.200 13.588 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 101 17.862 14.468 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 101 17.634 13.017 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.421 12.849 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.747 13.075 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.698 10.949 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.435 10.760 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.275 9.448 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.202 10.651 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.519 10.834 10.803 1.00 0.00 H new ATOM 1493 N THR A 102 21.688 15.948 7.369 1.00 0.00 N ATOM 1494 CA THR A 102 22.957 16.568 7.772 1.00 0.00 C ATOM 1495 C THR A 102 22.774 17.702 8.779 1.00 0.00 C ATOM 1496 O THR A 102 23.697 18.473 9.041 1.00 0.00 O ATOM 1497 CB THR A 102 23.714 17.117 6.539 1.00 0.00 C ATOM 1498 OG1 THR A 102 22.943 17.110 5.349 1.00 0.00 O ATOM 1499 CG2 THR A 102 24.986 16.304 6.340 1.00 0.00 C ATOM 0 H THR A 102 20.891 16.554 7.563 1.00 0.00 H new ATOM 0 HA THR A 102 23.535 15.779 8.253 1.00 0.00 H new ATOM 0 HB THR A 102 23.945 18.163 6.742 1.00 0.00 H new ATOM 0 HG1 THR A 102 23.478 17.470 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 102 25.528 16.682 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.615 16.389 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 102 24.727 15.258 6.178 1.00 0.00 H new ATOM 1507 N SER A 103 21.554 17.852 9.263 1.00 0.00 N ATOM 1508 CA SER A 103 21.082 19.045 9.926 1.00 0.00 C ATOM 1509 C SER A 103 21.439 19.000 11.414 1.00 0.00 C ATOM 1510 O SER A 103 22.128 18.080 11.870 1.00 0.00 O ATOM 1511 CB SER A 103 19.588 19.150 9.604 1.00 0.00 C ATOM 1512 OG SER A 103 18.891 17.931 9.840 1.00 0.00 O ATOM 0 H SER A 103 20.845 17.121 9.201 1.00 0.00 H new ATOM 0 HA SER A 103 21.564 19.958 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.144 19.941 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.464 19.439 8.560 1.00 0.00 H new ATOM 0 HG SER A 103 17.943 18.049 9.622 1.00 0.00 H new ATOM 1518 N ILE A 104 20.947 19.965 12.197 1.00 0.00 N ATOM 1519 CA ILE A 104 20.887 19.825 13.644 1.00 0.00 C ATOM 1520 C ILE A 104 19.732 18.849 13.901 1.00 0.00 C ATOM 1521 O ILE A 104 18.628 19.258 14.267 1.00 0.00 O ATOM 1522 CB ILE A 104 20.726 21.189 14.369 1.00 0.00 C ATOM 1523 CG1 ILE A 104 21.685 22.293 13.861 1.00 0.00 C ATOM 1524 CG2 ILE A 104 20.977 20.974 15.872 1.00 0.00 C ATOM 1525 CD1 ILE A 104 21.069 23.160 12.756 1.00 0.00 C ATOM 0 H ILE A 104 20.585 20.852 11.846 1.00 0.00 H new ATOM 0 HA ILE A 104 21.819 19.438 14.056 1.00 0.00 H new ATOM 0 HB ILE A 104 19.714 21.537 14.162 1.00 0.00 H new ATOM 0 HG12 ILE A 104 21.972 22.930 14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 104 22.597 21.830 13.485 1.00 0.00 H new ATOM 0 HG21 ILE A 104 20.868 21.922 16.398 1.00 0.00 H new ATOM 0 HG22 ILE A 104 20.255 20.257 16.263 1.00 0.00 H new ATOM 0 HG23 ILE A 104 21.986 20.590 16.021 1.00 0.00 H new ATOM 0 HD11 ILE A 104 21.790 23.915 12.442 1.00 0.00 H new ATOM 0 HD12 ILE A 104 20.807 22.532 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 104 20.172 23.650 13.135 1.00 0.00 H new ATOM 1537 N ASP A 105 19.963 17.571 13.604 1.00 0.00 N ATOM 1538 CA ASP A 105 19.084 16.448 13.889 1.00 0.00 C ATOM 1539 C ASP A 105 19.755 15.629 14.973 1.00 0.00 C ATOM 1540 O ASP A 105 19.118 15.388 16.017 1.00 0.00 O ATOM 1541 CB ASP A 105 18.724 15.649 12.619 1.00 0.00 C ATOM 1542 CG ASP A 105 19.595 14.427 12.319 1.00 0.00 C ATOM 1543 OD1 ASP A 105 20.747 14.568 11.841 1.00 0.00 O ATOM 1544 OD2 ASP A 105 19.093 13.288 12.466 1.00 0.00 O ATOM 0 H ASP A 105 20.819 17.280 13.131 1.00 0.00 H new ATOM 0 HA ASP A 105 18.114 16.789 14.251 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.689 15.319 12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.774 16.324 11.764 1.00 0.00 H new TER 1549 ASP A 105