USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -124:sc= 0 (180deg=-0.0115) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0111) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0822 F(o=-1.6,f=-0.082) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= -0.0666 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 13:sc= 0.00903 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.207 K(o=-0.21,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.128 (180deg=-0.597) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.7!) USER MOD Single : A 40 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-5.5!) USER MOD Single : A 42 ASN : amide:sc= -0.0081 X(o=-0.0081,f=-0.31) USER MOD Single : A 46 SER OG : rot 180:sc= -0.165 USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.869) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -108:sc= -1.4 (180deg=-5.21!) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= -9.43! (180deg=-15.7!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 72 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 74 CYS SG : rot 160:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.45) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.89 F(o=-4!,f=-1.9) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 166:sc= -0.0204 (180deg=-0.0521) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -59:sc= -0.299 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -7.659 6.760 -19.326 1.00 0.00 N ATOM 2 CA GLY A -6 -6.680 7.045 -18.293 1.00 0.00 C ATOM 3 C GLY A -6 -5.995 8.381 -18.498 1.00 0.00 C ATOM 4 O GLY A -6 -4.781 8.440 -18.695 1.00 0.00 O ATOM 0 H1 GLY A -6 -8.100 5.836 -19.141 1.00 0.00 H new ATOM 0 H2 GLY A -6 -8.391 7.499 -19.324 1.00 0.00 H new ATOM 0 H3 GLY A -6 -7.189 6.740 -20.254 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -7.170 7.037 -17.320 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -5.930 6.254 -18.279 1.00 0.00 H new ATOM 8 N SER A -5 -6.774 9.457 -18.450 1.00 0.00 N ATOM 9 CA SER A -5 -6.235 10.799 -18.636 1.00 0.00 C ATOM 10 C SER A -5 -7.075 11.830 -17.889 1.00 0.00 C ATOM 11 O SER A -5 -8.303 11.758 -17.881 1.00 0.00 O ATOM 12 CB SER A -5 -6.183 11.149 -20.124 1.00 0.00 C ATOM 13 OG SER A -5 -7.458 11.548 -20.600 1.00 0.00 O ATOM 0 H SER A -5 -7.780 9.426 -18.284 1.00 0.00 H new ATOM 0 HA SER A -5 -5.223 10.817 -18.230 1.00 0.00 H new ATOM 0 HB2 SER A -5 -5.463 11.951 -20.287 1.00 0.00 H new ATOM 0 HB3 SER A -5 -5.833 10.287 -20.691 1.00 0.00 H new ATOM 0 HG SER A -5 -7.397 11.768 -21.553 1.00 0.00 H new ATOM 19 N SER A -4 -6.402 12.790 -17.262 1.00 0.00 N ATOM 20 CA SER A -4 -7.085 13.835 -16.508 1.00 0.00 C ATOM 21 C SER A -4 -6.378 15.177 -16.675 1.00 0.00 C ATOM 22 O SER A -4 -5.273 15.246 -17.211 1.00 0.00 O ATOM 23 CB SER A -4 -7.153 13.462 -15.026 1.00 0.00 C ATOM 24 OG SER A -4 -8.180 12.516 -14.784 1.00 0.00 O ATOM 0 H SER A -4 -5.385 12.866 -17.261 1.00 0.00 H new ATOM 0 HA SER A -4 -8.098 13.927 -16.899 1.00 0.00 H new ATOM 0 HB2 SER A -4 -6.195 13.052 -14.707 1.00 0.00 H new ATOM 0 HB3 SER A -4 -7.331 14.357 -14.430 1.00 0.00 H new ATOM 0 HG SER A -4 -8.495 12.150 -15.637 1.00 0.00 H new ATOM 30 N GLY A -3 -7.024 16.242 -16.210 1.00 0.00 N ATOM 31 CA GLY A -3 -6.443 17.567 -16.317 1.00 0.00 C ATOM 32 C GLY A -3 -5.342 17.800 -15.302 1.00 0.00 C ATOM 33 O GLY A -3 -5.586 17.778 -14.095 1.00 0.00 O ATOM 0 H GLY A -3 -7.939 16.210 -15.761 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -6.042 17.705 -17.321 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -7.224 18.315 -16.180 1.00 0.00 H new ATOM 37 N SER A -2 -4.127 18.025 -15.790 1.00 0.00 N ATOM 38 CA SER A -2 -2.983 18.259 -14.917 1.00 0.00 C ATOM 39 C SER A -2 -2.900 19.728 -14.512 1.00 0.00 C ATOM 40 O SER A -2 -1.820 20.318 -14.493 1.00 0.00 O ATOM 41 CB SER A -2 -1.688 17.836 -15.612 1.00 0.00 C ATOM 42 OG SER A -2 -1.428 18.647 -16.745 1.00 0.00 O ATOM 0 H SER A -2 -3.909 18.050 -16.786 1.00 0.00 H new ATOM 0 HA SER A -2 -3.116 17.659 -14.017 1.00 0.00 H new ATOM 0 HB2 SER A -2 -0.856 17.907 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A -2 -1.760 16.792 -15.917 1.00 0.00 H new ATOM 0 HG SER A -2 -0.594 18.357 -17.170 1.00 0.00 H new ATOM 48 N SER A -1 -4.049 20.312 -14.187 1.00 0.00 N ATOM 49 CA SER A -1 -4.108 21.713 -13.787 1.00 0.00 C ATOM 50 C SER A -1 -5.328 21.976 -12.910 1.00 0.00 C ATOM 51 O SER A -1 -6.241 21.154 -12.834 1.00 0.00 O ATOM 52 CB SER A -1 -4.146 22.617 -15.020 1.00 0.00 C ATOM 53 OG SER A -1 -4.032 23.982 -14.656 1.00 0.00 O ATOM 0 H SER A -1 -4.951 19.837 -14.193 1.00 0.00 H new ATOM 0 HA SER A -1 -3.212 21.938 -13.209 1.00 0.00 H new ATOM 0 HB2 SER A -1 -3.334 22.349 -15.696 1.00 0.00 H new ATOM 0 HB3 SER A -1 -5.078 22.459 -15.562 1.00 0.00 H new ATOM 0 HG SER A -1 -4.057 24.539 -15.462 1.00 0.00 H new ATOM 59 N GLY A 0 -5.338 23.131 -12.250 1.00 0.00 N ATOM 60 CA GLY A 0 -6.451 23.482 -11.387 1.00 0.00 C ATOM 61 C GLY A 0 -6.582 22.549 -10.200 1.00 0.00 C ATOM 62 O GLY A 0 -5.821 22.648 -9.238 1.00 0.00 O ATOM 0 H GLY A 0 -4.596 23.829 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -6.321 24.503 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -7.375 23.462 -11.965 1.00 0.00 H new ATOM 66 N MET A 1 -7.550 21.641 -10.267 1.00 0.00 N ATOM 67 CA MET A 1 -7.778 20.687 -9.188 1.00 0.00 C ATOM 68 C MET A 1 -8.462 19.428 -9.711 1.00 0.00 C ATOM 69 O MET A 1 -9.111 19.451 -10.758 1.00 0.00 O ATOM 70 CB MET A 1 -8.627 21.323 -8.086 1.00 0.00 C ATOM 71 CG MET A 1 -10.051 21.636 -8.521 1.00 0.00 C ATOM 72 SD MET A 1 -11.087 22.194 -7.155 1.00 0.00 S ATOM 73 CE MET A 1 -10.485 23.865 -6.932 1.00 0.00 C ATOM 0 H MET A 1 -8.189 21.546 -11.057 1.00 0.00 H new ATOM 0 HA MET A 1 -6.809 20.407 -8.774 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.657 20.651 -7.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.147 22.243 -7.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.030 22.405 -9.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.494 20.746 -8.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.156 23.999 -5.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.647 24.043 -7.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.285 24.572 -7.152 1.00 0.00 H new ATOM 83 N LYS A 2 -8.313 18.331 -8.978 1.00 0.00 N ATOM 84 CA LYS A 2 -8.918 17.062 -9.366 1.00 0.00 C ATOM 85 C LYS A 2 -8.701 16.003 -8.290 1.00 0.00 C ATOM 86 O LYS A 2 -7.712 16.042 -7.556 1.00 0.00 O ATOM 87 CB LYS A 2 -8.332 16.581 -10.695 1.00 0.00 C ATOM 88 CG LYS A 2 -9.308 15.774 -11.534 1.00 0.00 C ATOM 89 CD LYS A 2 -9.203 14.288 -11.239 1.00 0.00 C ATOM 90 CE LYS A 2 -10.041 13.466 -12.206 1.00 0.00 C ATOM 91 NZ LYS A 2 -11.498 13.722 -12.031 1.00 0.00 N ATOM 0 H LYS A 2 -7.778 18.294 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.990 17.220 -9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.000 17.445 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.449 15.973 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.325 16.114 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.112 15.950 -12.592 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.161 13.976 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.531 14.095 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.751 13.702 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.837 12.406 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.037 13.119 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.773 13.505 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.702 14.721 -12.235 1.00 0.00 H new ATOM 105 N THR A 3 -9.630 15.056 -8.201 1.00 0.00 N ATOM 106 CA THR A 3 -9.539 13.987 -7.215 1.00 0.00 C ATOM 107 C THR A 3 -8.608 12.879 -7.690 1.00 0.00 C ATOM 108 O THR A 3 -8.888 11.695 -7.499 1.00 0.00 O ATOM 109 CB THR A 3 -10.924 13.384 -6.912 1.00 0.00 C ATOM 110 OG1 THR A 3 -11.512 12.879 -8.117 1.00 0.00 O ATOM 111 CG2 THR A 3 -11.844 14.424 -6.290 1.00 0.00 C ATOM 0 H THR A 3 -10.454 15.008 -8.800 1.00 0.00 H new ATOM 0 HA THR A 3 -9.136 14.430 -6.304 1.00 0.00 H new ATOM 0 HB THR A 3 -10.793 12.568 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.391 12.496 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.816 13.974 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.408 14.785 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.969 15.259 -6.980 1.00 0.00 H new ATOM 119 N ILE A 4 -7.498 13.270 -8.308 1.00 0.00 N ATOM 120 CA ILE A 4 -6.524 12.308 -8.808 1.00 0.00 C ATOM 121 C ILE A 4 -6.254 11.213 -7.782 1.00 0.00 C ATOM 122 O ILE A 4 -5.677 11.466 -6.724 1.00 0.00 O ATOM 123 CB ILE A 4 -5.193 12.992 -9.173 1.00 0.00 C ATOM 124 CG1 ILE A 4 -4.917 14.159 -8.222 1.00 0.00 C ATOM 125 CG2 ILE A 4 -5.222 13.472 -10.616 1.00 0.00 C ATOM 126 CD1 ILE A 4 -3.444 14.408 -7.982 1.00 0.00 C ATOM 0 H ILE A 4 -7.251 14.246 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.954 11.863 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.387 12.265 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.368 15.064 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.404 13.962 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.274 13.953 -10.859 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.377 12.621 -11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.035 14.186 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.324 15.249 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.991 13.518 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.955 14.637 -8.929 1.00 0.00 H new ATOM 138 N LEU A 5 -6.676 9.994 -8.100 1.00 0.00 N ATOM 139 CA LEU A 5 -6.480 8.858 -7.206 1.00 0.00 C ATOM 140 C LEU A 5 -5.482 7.867 -7.796 1.00 0.00 C ATOM 141 O LEU A 5 -5.551 7.530 -8.978 1.00 0.00 O ATOM 142 CB LEU A 5 -7.813 8.158 -6.938 1.00 0.00 C ATOM 143 CG LEU A 5 -8.602 7.722 -8.172 1.00 0.00 C ATOM 144 CD1 LEU A 5 -8.169 6.333 -8.620 1.00 0.00 C ATOM 145 CD2 LEU A 5 -10.097 7.750 -7.888 1.00 0.00 C ATOM 0 H LEU A 5 -7.156 9.767 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.078 9.233 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.621 7.278 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.440 8.827 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.393 8.424 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.742 6.039 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.107 6.344 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.348 5.619 -7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.642 7.437 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.324 7.071 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.397 8.762 -7.616 1.00 0.00 H new ATOM 157 N SER A 6 -4.555 7.402 -6.965 1.00 0.00 N ATOM 158 CA SER A 6 -3.541 6.450 -7.404 1.00 0.00 C ATOM 159 C SER A 6 -3.583 5.182 -6.558 1.00 0.00 C ATOM 160 O SER A 6 -2.889 5.074 -5.548 1.00 0.00 O ATOM 161 CB SER A 6 -2.150 7.083 -7.328 1.00 0.00 C ATOM 162 OG SER A 6 -1.163 6.210 -7.850 1.00 0.00 O ATOM 0 H SER A 6 -4.485 7.669 -5.983 1.00 0.00 H new ATOM 0 HA SER A 6 -3.754 6.182 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.143 8.020 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.914 7.326 -6.292 1.00 0.00 H new ATOM 0 HG SER A 6 -0.283 6.638 -7.791 1.00 0.00 H new ATOM 168 N ASN A 7 -4.403 4.225 -6.977 1.00 0.00 N ATOM 169 CA ASN A 7 -4.537 2.963 -6.259 1.00 0.00 C ATOM 170 C ASN A 7 -3.721 1.864 -6.931 1.00 0.00 C ATOM 171 O ASN A 7 -3.538 1.870 -8.148 1.00 0.00 O ATOM 172 CB ASN A 7 -6.008 2.549 -6.185 1.00 0.00 C ATOM 173 CG ASN A 7 -6.617 2.329 -7.556 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.138 3.397 -8.149 1.00 0.00 O flip ATOM 175 ND2 ASN A 7 -6.619 1.213 -8.076 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.986 4.299 -7.811 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.155 3.107 -5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.096 1.633 -5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.573 3.318 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.207 0.420 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.032 1.081 -8.999 1.00 0.00 H new ATOM 182 N GLN A 8 -3.234 0.922 -6.130 1.00 0.00 N ATOM 183 CA GLN A 8 -2.436 -0.183 -6.648 1.00 0.00 C ATOM 184 C GLN A 8 -3.041 -1.525 -6.247 1.00 0.00 C ATOM 185 O GLN A 8 -3.760 -1.623 -5.253 1.00 0.00 O ATOM 186 CB GLN A 8 -0.998 -0.086 -6.136 1.00 0.00 C ATOM 187 CG GLN A 8 -0.058 -1.102 -6.766 1.00 0.00 C ATOM 188 CD GLN A 8 0.380 -0.705 -8.163 1.00 0.00 C ATOM 189 OE1 GLN A 8 -0.067 -1.281 -9.153 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.259 0.286 -8.247 1.00 0.00 N ATOM 0 H GLN A 8 -3.378 0.902 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.432 -0.116 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.619 0.917 -6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.996 -0.223 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.822 -1.219 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.553 -2.073 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.603 0.736 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.590 0.598 -9.160 1.00 0.00 H new ATOM 199 N THR A 9 -2.746 -2.559 -7.030 1.00 0.00 N ATOM 200 CA THR A 9 -3.261 -3.894 -6.758 1.00 0.00 C ATOM 201 C THR A 9 -2.131 -4.868 -6.446 1.00 0.00 C ATOM 202 O THR A 9 -1.048 -4.785 -7.028 1.00 0.00 O ATOM 203 CB THR A 9 -4.076 -4.436 -7.949 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.274 -4.422 -9.136 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.331 -3.605 -8.169 1.00 0.00 C ATOM 0 H THR A 9 -2.153 -2.496 -7.857 1.00 0.00 H new ATOM 0 HA THR A 9 -3.913 -3.809 -5.889 1.00 0.00 H new ATOM 0 HB THR A 9 -4.373 -5.460 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.797 -4.769 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.890 -4.006 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.952 -3.640 -7.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.052 -2.572 -8.376 1.00 0.00 H new ATOM 213 N VAL A 10 -2.387 -5.790 -5.525 1.00 0.00 N ATOM 214 CA VAL A 10 -1.390 -6.781 -5.137 1.00 0.00 C ATOM 215 C VAL A 10 -1.778 -8.172 -5.626 1.00 0.00 C ATOM 216 O VAL A 10 -2.961 -8.501 -5.718 1.00 0.00 O ATOM 217 CB VAL A 10 -1.204 -6.820 -3.608 1.00 0.00 C ATOM 218 CG1 VAL A 10 0.026 -7.637 -3.241 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.104 -5.410 -3.047 1.00 0.00 C ATOM 0 H VAL A 10 -3.277 -5.872 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.450 -6.484 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.076 -7.301 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.142 -7.654 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.091 -8.656 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.910 -7.187 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.973 -5.457 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.251 -4.900 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.017 -4.861 -3.278 1.00 0.00 H new ATOM 229 N ASP A 11 -0.774 -8.985 -5.938 1.00 0.00 N ATOM 230 CA ASP A 11 -1.010 -10.341 -6.417 1.00 0.00 C ATOM 231 C ASP A 11 -0.594 -11.368 -5.368 1.00 0.00 C ATOM 232 O ASP A 11 0.526 -11.329 -4.858 1.00 0.00 O ATOM 233 CB ASP A 11 -0.245 -10.586 -7.719 1.00 0.00 C ATOM 234 CG ASP A 11 -0.266 -12.042 -8.138 1.00 0.00 C ATOM 235 OD1 ASP A 11 0.053 -12.906 -7.295 1.00 0.00 O ATOM 236 OD2 ASP A 11 -0.601 -12.318 -9.309 1.00 0.00 O ATOM 0 H ASP A 11 0.211 -8.728 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.078 -10.452 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.679 -9.977 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.788 -10.261 -7.596 1.00 0.00 H new ATOM 241 N ILE A 12 -1.503 -12.284 -5.050 1.00 0.00 N ATOM 242 CA ILE A 12 -1.229 -13.320 -4.062 1.00 0.00 C ATOM 243 C ILE A 12 -1.176 -14.698 -4.712 1.00 0.00 C ATOM 244 O ILE A 12 -2.015 -15.055 -5.540 1.00 0.00 O ATOM 245 CB ILE A 12 -2.294 -13.330 -2.949 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.320 -11.982 -2.225 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.021 -14.460 -1.967 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.538 -11.790 -1.348 1.00 0.00 C ATOM 0 H ILE A 12 -2.435 -12.330 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.258 -13.091 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.271 -13.496 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.423 -11.891 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.284 -11.181 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.781 -14.455 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.048 -15.414 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.038 -14.322 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.489 -10.813 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.439 -11.849 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.564 -12.569 -0.586 1.00 0.00 H new ATOM 260 N PRO A 13 -0.167 -15.494 -4.328 1.00 0.00 N ATOM 261 CA PRO A 13 0.019 -16.848 -4.859 1.00 0.00 C ATOM 262 C PRO A 13 -1.058 -17.813 -4.375 1.00 0.00 C ATOM 263 O PRO A 13 -2.072 -17.397 -3.819 1.00 0.00 O ATOM 264 CB PRO A 13 1.389 -17.257 -4.314 1.00 0.00 C ATOM 265 CG PRO A 13 1.566 -16.440 -3.081 1.00 0.00 C ATOM 266 CD PRO A 13 0.869 -15.134 -3.346 1.00 0.00 C ATOM 0 HA PRO A 13 -0.046 -16.873 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.424 -18.323 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.179 -17.057 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.136 -16.943 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.623 -16.282 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.434 -14.719 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.555 -14.385 -3.742 1.00 0.00 H new ATOM 274 N GLU A 14 -0.827 -19.106 -4.590 1.00 0.00 N ATOM 275 CA GLU A 14 -1.779 -20.130 -4.175 1.00 0.00 C ATOM 276 C GLU A 14 -1.310 -20.820 -2.898 1.00 0.00 C ATOM 277 O GLU A 14 -2.116 -21.362 -2.142 1.00 0.00 O ATOM 278 CB GLU A 14 -1.966 -21.163 -5.287 1.00 0.00 C ATOM 279 CG GLU A 14 -3.034 -22.200 -4.980 1.00 0.00 C ATOM 280 CD GLU A 14 -4.436 -21.693 -5.258 1.00 0.00 C ATOM 281 OE1 GLU A 14 -4.984 -20.968 -4.401 1.00 0.00 O ATOM 282 OE2 GLU A 14 -4.985 -22.022 -6.330 1.00 0.00 O ATOM 0 H GLU A 14 0.009 -19.468 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.734 -19.645 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.227 -20.647 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.018 -21.671 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.850 -23.093 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.959 -22.495 -3.933 1.00 0.00 H new ATOM 289 N ASN A 15 -0.003 -20.797 -2.663 1.00 0.00 N ATOM 290 CA ASN A 15 0.574 -21.422 -1.479 1.00 0.00 C ATOM 291 C ASN A 15 0.503 -20.482 -0.279 1.00 0.00 C ATOM 292 O ASN A 15 1.148 -20.714 0.744 1.00 0.00 O ATOM 293 CB ASN A 15 2.027 -21.822 -1.742 1.00 0.00 C ATOM 294 CG ASN A 15 2.944 -20.620 -1.866 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.743 -19.758 -2.722 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.956 -20.559 -1.010 1.00 0.00 N ATOM 0 H ASN A 15 0.678 -20.351 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.006 -22.317 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.378 -22.461 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.079 -22.411 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.607 -19.774 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.083 -21.297 -0.317 1.00 0.00 H new ATOM 303 N VAL A 16 -0.287 -19.421 -0.411 1.00 0.00 N ATOM 304 CA VAL A 16 -0.443 -18.446 0.661 1.00 0.00 C ATOM 305 C VAL A 16 -1.903 -18.036 0.821 1.00 0.00 C ATOM 306 O VAL A 16 -2.676 -18.066 -0.137 1.00 0.00 O ATOM 307 CB VAL A 16 0.407 -17.188 0.406 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.188 -16.162 1.507 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.879 -17.555 0.293 1.00 0.00 C ATOM 0 H VAL A 16 -0.829 -19.215 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.100 -18.926 1.577 1.00 0.00 H new ATOM 0 HB VAL A 16 0.093 -16.744 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.797 -15.280 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.864 -15.877 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.473 -16.592 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.466 -16.654 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.209 -18.024 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.018 -18.250 -0.535 1.00 0.00 H new ATOM 319 N ASP A 17 -2.273 -17.651 2.037 1.00 0.00 N ATOM 320 CA ASP A 17 -3.641 -17.232 2.323 1.00 0.00 C ATOM 321 C ASP A 17 -3.658 -15.890 3.050 1.00 0.00 C ATOM 322 O ASP A 17 -2.825 -15.635 3.920 1.00 0.00 O ATOM 323 CB ASP A 17 -4.356 -18.290 3.165 1.00 0.00 C ATOM 324 CG ASP A 17 -5.035 -19.345 2.313 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.359 -19.046 1.145 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.245 -20.469 2.816 1.00 0.00 O ATOM 0 H ASP A 17 -1.646 -17.620 2.841 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.165 -17.118 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.636 -18.770 3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.099 -17.805 3.799 1.00 0.00 H new ATOM 331 N ILE A 18 -4.609 -15.038 2.685 1.00 0.00 N ATOM 332 CA ILE A 18 -4.734 -13.723 3.302 1.00 0.00 C ATOM 333 C ILE A 18 -6.164 -13.465 3.761 1.00 0.00 C ATOM 334 O ILE A 18 -7.123 -13.817 3.073 1.00 0.00 O ATOM 335 CB ILE A 18 -4.309 -12.605 2.332 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.783 -12.548 2.221 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.861 -11.265 2.795 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.225 -13.420 1.118 1.00 0.00 C ATOM 0 H ILE A 18 -5.305 -15.234 1.965 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.071 -13.715 4.167 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.718 -12.825 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.478 -11.516 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.346 -12.854 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.552 -10.484 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.949 -11.312 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.477 -11.037 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.139 -13.330 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.500 -14.459 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.634 -13.100 0.159 1.00 0.00 H new ATOM 350 N THR A 19 -6.302 -12.846 4.930 1.00 0.00 N ATOM 351 CA THR A 19 -7.615 -12.539 5.482 1.00 0.00 C ATOM 352 C THR A 19 -7.757 -11.048 5.768 1.00 0.00 C ATOM 353 O THR A 19 -6.977 -10.475 6.529 1.00 0.00 O ATOM 354 CB THR A 19 -7.877 -13.326 6.780 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.514 -14.700 6.602 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.340 -13.232 7.185 1.00 0.00 C ATOM 0 H THR A 19 -5.520 -12.548 5.512 1.00 0.00 H new ATOM 0 HA THR A 19 -8.349 -12.834 4.732 1.00 0.00 H new ATOM 0 HB THR A 19 -7.269 -12.889 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.682 -15.193 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.500 -13.796 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.606 -12.188 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.964 -13.645 6.393 1.00 0.00 H new ATOM 364 N LEU A 20 -8.757 -10.426 5.154 1.00 0.00 N ATOM 365 CA LEU A 20 -9.003 -9.000 5.344 1.00 0.00 C ATOM 366 C LEU A 20 -10.146 -8.770 6.327 1.00 0.00 C ATOM 367 O LEU A 20 -11.242 -9.305 6.156 1.00 0.00 O ATOM 368 CB LEU A 20 -9.324 -8.335 4.004 1.00 0.00 C ATOM 369 CG LEU A 20 -8.300 -8.545 2.888 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.846 -8.041 1.562 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.991 -7.848 3.227 1.00 0.00 C ATOM 0 H LEU A 20 -9.411 -10.886 4.520 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.099 -8.552 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.289 -8.706 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.436 -7.264 4.170 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.106 -9.614 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.104 -8.199 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.757 -8.585 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.069 -6.977 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.274 -8.008 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.168 -6.779 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.591 -8.256 4.155 1.00 0.00 H new ATOM 383 N LYS A 21 -9.885 -7.968 7.353 1.00 0.00 N ATOM 384 CA LYS A 21 -10.893 -7.663 8.362 1.00 0.00 C ATOM 385 C LYS A 21 -11.024 -6.157 8.562 1.00 0.00 C ATOM 386 O LYS A 21 -10.209 -5.538 9.245 1.00 0.00 O ATOM 387 CB LYS A 21 -10.534 -8.335 9.690 1.00 0.00 C ATOM 388 CG LYS A 21 -11.062 -9.754 9.815 1.00 0.00 C ATOM 389 CD LYS A 21 -10.564 -10.424 11.085 1.00 0.00 C ATOM 390 CE LYS A 21 -10.445 -11.930 10.910 1.00 0.00 C ATOM 391 NZ LYS A 21 -9.817 -12.578 12.094 1.00 0.00 N ATOM 0 H LYS A 21 -8.983 -7.517 7.508 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.850 -8.050 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.450 -8.349 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.930 -7.735 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.152 -9.739 9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.750 -10.337 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.593 -10.011 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.247 -10.205 11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.435 -12.356 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.853 -12.147 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.754 -13.604 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.863 -12.190 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.395 -12.393 12.938 1.00 0.00 H new ATOM 405 N GLY A 22 -12.055 -5.572 7.962 1.00 0.00 N ATOM 406 CA GLY A 22 -12.275 -4.143 8.087 1.00 0.00 C ATOM 407 C GLY A 22 -11.095 -3.330 7.594 1.00 0.00 C ATOM 408 O GLY A 22 -10.986 -3.040 6.403 1.00 0.00 O ATOM 0 H GLY A 22 -12.743 -6.063 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.165 -3.865 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.470 -3.898 9.131 1.00 0.00 H new ATOM 412 N ARG A 23 -10.208 -2.961 8.513 1.00 0.00 N ATOM 413 CA ARG A 23 -9.031 -2.173 8.167 1.00 0.00 C ATOM 414 C ARG A 23 -7.752 -2.892 8.587 1.00 0.00 C ATOM 415 O ARG A 23 -6.699 -2.273 8.737 1.00 0.00 O ATOM 416 CB ARG A 23 -9.098 -0.797 8.832 1.00 0.00 C ATOM 417 CG ARG A 23 -10.141 0.124 8.221 1.00 0.00 C ATOM 418 CD ARG A 23 -9.566 0.930 7.068 1.00 0.00 C ATOM 419 NE ARG A 23 -10.607 1.412 6.164 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.271 0.625 5.323 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.005 -0.672 5.273 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.205 1.137 4.532 1.00 0.00 N ATOM 0 H ARG A 23 -10.282 -3.195 9.503 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.016 -2.045 7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.315 -0.925 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.120 -0.321 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.987 -0.466 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.522 0.801 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.007 1.779 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.860 0.314 6.512 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.837 2.406 6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.289 -1.070 5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.516 -1.273 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.414 2.135 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.714 0.533 3.887 1.00 0.00 H new ATOM 436 N THR A 24 -7.852 -4.204 8.777 1.00 0.00 N ATOM 437 CA THR A 24 -6.706 -5.007 9.183 1.00 0.00 C ATOM 438 C THR A 24 -6.398 -6.086 8.150 1.00 0.00 C ATOM 439 O THR A 24 -7.282 -6.838 7.741 1.00 0.00 O ATOM 440 CB THR A 24 -6.943 -5.675 10.550 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.289 -4.685 11.526 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.704 -6.430 11.006 1.00 0.00 C ATOM 0 H THR A 24 -8.716 -4.733 8.656 1.00 0.00 H new ATOM 0 HA THR A 24 -5.857 -4.328 9.261 1.00 0.00 H new ATOM 0 HB THR A 24 -7.764 -6.384 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.440 -5.118 12.392 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.896 -6.893 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.459 -7.202 10.276 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.868 -5.737 11.095 1.00 0.00 H new ATOM 450 N VAL A 25 -5.138 -6.157 7.734 1.00 0.00 N ATOM 451 CA VAL A 25 -4.712 -7.145 6.750 1.00 0.00 C ATOM 452 C VAL A 25 -3.928 -8.274 7.409 1.00 0.00 C ATOM 453 O VAL A 25 -2.881 -8.045 8.016 1.00 0.00 O ATOM 454 CB VAL A 25 -3.844 -6.505 5.651 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.364 -7.561 4.667 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.617 -5.408 4.934 1.00 0.00 C ATOM 0 H VAL A 25 -4.394 -5.542 8.063 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.617 -7.551 6.297 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.969 -6.055 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.752 -7.090 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.771 -8.308 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.224 -8.043 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.989 -4.966 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.511 -5.832 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.906 -4.639 5.650 1.00 0.00 H new ATOM 466 N ILE A 26 -4.441 -9.494 7.285 1.00 0.00 N ATOM 467 CA ILE A 26 -3.786 -10.659 7.867 1.00 0.00 C ATOM 468 C ILE A 26 -3.172 -11.543 6.786 1.00 0.00 C ATOM 469 O ILE A 26 -3.820 -11.865 5.791 1.00 0.00 O ATOM 470 CB ILE A 26 -4.772 -11.500 8.702 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.411 -10.639 9.794 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.060 -12.698 9.312 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.702 -11.211 10.335 1.00 0.00 C ATOM 0 H ILE A 26 -5.307 -9.701 6.787 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.996 -10.284 8.518 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.562 -11.867 8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.703 -10.522 10.614 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.603 -9.643 9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.769 -13.282 9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.647 -13.319 8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.253 -12.352 9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.099 -10.549 11.105 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.427 -11.302 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.512 -12.195 10.765 1.00 0.00 H new ATOM 485 N VAL A 27 -1.918 -11.932 6.990 1.00 0.00 N ATOM 486 CA VAL A 27 -1.216 -12.781 6.035 1.00 0.00 C ATOM 487 C VAL A 27 -0.799 -14.100 6.675 1.00 0.00 C ATOM 488 O VAL A 27 -0.249 -14.124 7.776 1.00 0.00 O ATOM 489 CB VAL A 27 0.034 -12.079 5.473 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.755 -12.982 4.483 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.345 -10.756 4.823 1.00 0.00 C ATOM 0 H VAL A 27 -1.367 -11.673 7.808 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.910 -12.980 5.219 1.00 0.00 H new ATOM 0 HB VAL A 27 0.714 -11.870 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.636 -12.469 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.061 -13.900 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.086 -13.225 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.550 -10.273 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.045 -10.939 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.812 -10.107 5.564 1.00 0.00 H new ATOM 501 N LYS A 28 -1.065 -15.200 5.977 1.00 0.00 N ATOM 502 CA LYS A 28 -0.716 -16.525 6.475 1.00 0.00 C ATOM 503 C LYS A 28 0.119 -17.288 5.452 1.00 0.00 C ATOM 504 O LYS A 28 -0.297 -17.469 4.308 1.00 0.00 O ATOM 505 CB LYS A 28 -1.983 -17.317 6.809 1.00 0.00 C ATOM 506 CG LYS A 28 -1.795 -18.320 7.932 1.00 0.00 C ATOM 507 CD LYS A 28 -2.930 -19.330 7.974 1.00 0.00 C ATOM 508 CE LYS A 28 -2.762 -20.402 6.907 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.519 -21.196 7.111 1.00 0.00 N ATOM 0 H LYS A 28 -1.521 -15.199 5.065 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.123 -16.401 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.775 -16.620 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.318 -17.843 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.847 -18.842 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.739 -17.794 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.967 -19.797 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.881 -18.817 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.625 -21.068 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.737 -19.934 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.624 -22.127 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.713 -20.695 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.350 -21.321 8.130 1.00 0.00 H new ATOM 523 N GLY A 29 1.298 -17.737 5.872 1.00 0.00 N ATOM 524 CA GLY A 29 2.171 -18.477 4.980 1.00 0.00 C ATOM 525 C GLY A 29 2.656 -19.778 5.591 1.00 0.00 C ATOM 526 O GLY A 29 2.562 -19.994 6.799 1.00 0.00 O ATOM 0 H GLY A 29 1.664 -17.601 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.641 -18.690 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.030 -17.858 4.721 1.00 0.00 H new ATOM 530 N PRO A 30 3.186 -20.671 4.744 1.00 0.00 N ATOM 531 CA PRO A 30 3.696 -21.974 5.183 1.00 0.00 C ATOM 532 C PRO A 30 4.974 -21.847 6.005 1.00 0.00 C ATOM 533 O PRO A 30 5.523 -22.845 6.474 1.00 0.00 O ATOM 534 CB PRO A 30 3.975 -22.707 3.869 1.00 0.00 C ATOM 535 CG PRO A 30 4.210 -21.625 2.873 1.00 0.00 C ATOM 536 CD PRO A 30 3.329 -20.480 3.290 1.00 0.00 C ATOM 0 HA PRO A 30 2.990 -22.491 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.844 -23.360 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.132 -23.335 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.258 -21.327 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.963 -21.961 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.783 -19.517 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.364 -20.510 2.784 1.00 0.00 H new ATOM 544 N ARG A 31 5.444 -20.616 6.176 1.00 0.00 N ATOM 545 CA ARG A 31 6.658 -20.360 6.940 1.00 0.00 C ATOM 546 C ARG A 31 6.352 -19.537 8.188 1.00 0.00 C ATOM 547 O ARG A 31 7.218 -19.333 9.038 1.00 0.00 O ATOM 548 CB ARG A 31 7.687 -19.631 6.074 1.00 0.00 C ATOM 549 CG ARG A 31 7.989 -20.335 4.762 1.00 0.00 C ATOM 550 CD ARG A 31 9.127 -21.332 4.914 1.00 0.00 C ATOM 551 NE ARG A 31 9.113 -22.343 3.860 1.00 0.00 N ATOM 552 CZ ARG A 31 9.866 -23.437 3.881 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.688 -23.660 4.897 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.797 -24.311 2.885 1.00 0.00 N ATOM 0 H ARG A 31 5.002 -19.780 5.795 1.00 0.00 H new ATOM 0 HA ARG A 31 7.070 -21.320 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.323 -18.626 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.613 -19.522 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.096 -20.852 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.249 -19.597 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.079 -20.801 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.054 -21.820 5.886 1.00 0.00 H new ATOM 0 HE ARG A 31 8.491 -22.201 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.743 -22.991 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.265 -24.501 4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.165 -24.143 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.376 -25.151 2.902 1.00 0.00 H new ATOM 568 N GLY A 32 5.113 -19.066 8.291 1.00 0.00 N ATOM 569 CA GLY A 32 4.714 -18.269 9.436 1.00 0.00 C ATOM 570 C GLY A 32 3.492 -17.419 9.155 1.00 0.00 C ATOM 571 O GLY A 32 2.965 -17.424 8.042 1.00 0.00 O ATOM 0 H GLY A 32 4.378 -19.222 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.508 -18.928 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.541 -17.624 9.731 1.00 0.00 H new ATOM 575 N THR A 33 3.036 -16.687 10.167 1.00 0.00 N ATOM 576 CA THR A 33 1.867 -15.830 10.024 1.00 0.00 C ATOM 577 C THR A 33 2.181 -14.396 10.437 1.00 0.00 C ATOM 578 O THR A 33 2.721 -14.155 11.518 1.00 0.00 O ATOM 579 CB THR A 33 0.685 -16.346 10.867 1.00 0.00 C ATOM 580 OG1 THR A 33 0.495 -17.747 10.635 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.592 -15.592 10.527 1.00 0.00 C ATOM 0 H THR A 33 3.459 -16.671 11.095 1.00 0.00 H new ATOM 0 HA THR A 33 1.589 -15.850 8.970 1.00 0.00 H new ATOM 0 HB THR A 33 0.916 -16.180 11.919 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.257 -18.069 11.175 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.413 -15.974 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.453 -14.530 10.731 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.827 -15.731 9.472 1.00 0.00 H new ATOM 589 N LEU A 34 1.841 -13.448 9.570 1.00 0.00 N ATOM 590 CA LEU A 34 2.087 -12.036 9.847 1.00 0.00 C ATOM 591 C LEU A 34 0.839 -11.203 9.573 1.00 0.00 C ATOM 592 O LEU A 34 0.162 -11.393 8.563 1.00 0.00 O ATOM 593 CB LEU A 34 3.251 -11.525 8.995 1.00 0.00 C ATOM 594 CG LEU A 34 4.503 -12.403 8.975 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.417 -12.002 7.828 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.240 -12.313 10.303 1.00 0.00 C ATOM 0 H LEU A 34 1.395 -13.631 8.671 1.00 0.00 H new ATOM 0 HA LEU A 34 2.344 -11.937 10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.900 -11.404 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.531 -10.535 9.355 1.00 0.00 H new ATOM 0 HG LEU A 34 4.195 -13.438 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.303 -12.637 7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.887 -12.120 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.717 -10.961 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.128 -12.944 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.536 -11.280 10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.585 -12.650 11.106 1.00 0.00 H new ATOM 608 N ARG A 35 0.541 -10.279 10.481 1.00 0.00 N ATOM 609 CA ARG A 35 -0.625 -9.415 10.338 1.00 0.00 C ATOM 610 C ARG A 35 -0.260 -7.959 10.607 1.00 0.00 C ATOM 611 O ARG A 35 0.733 -7.671 11.276 1.00 0.00 O ATOM 612 CB ARG A 35 -1.735 -9.859 11.293 1.00 0.00 C ATOM 613 CG ARG A 35 -1.426 -9.583 12.756 1.00 0.00 C ATOM 614 CD ARG A 35 -2.633 -9.852 13.641 1.00 0.00 C ATOM 615 NE ARG A 35 -2.263 -9.973 15.048 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.129 -9.851 16.049 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.407 -9.605 15.797 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.716 -9.976 17.304 1.00 0.00 N ATOM 0 H ARG A 35 1.091 -10.110 11.323 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.983 -9.497 9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.660 -9.350 11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.910 -10.927 11.162 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.592 -10.207 13.077 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.112 -8.546 12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.355 -9.044 13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.124 -10.769 13.315 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.287 -10.161 15.275 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.728 -9.509 14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.070 -9.512 16.567 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.733 -10.166 17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.381 -9.882 18.072 1.00 0.00 H new ATOM 632 N ARG A 36 -1.068 -7.044 10.081 1.00 0.00 N ATOM 633 CA ARG A 36 -0.828 -5.618 10.263 1.00 0.00 C ATOM 634 C ARG A 36 -2.144 -4.847 10.308 1.00 0.00 C ATOM 635 O ARG A 36 -3.142 -5.268 9.723 1.00 0.00 O ATOM 636 CB ARG A 36 0.053 -5.079 9.135 1.00 0.00 C ATOM 637 CG ARG A 36 0.511 -3.646 9.351 1.00 0.00 C ATOM 638 CD ARG A 36 1.642 -3.569 10.364 1.00 0.00 C ATOM 639 NE ARG A 36 1.162 -3.730 11.734 1.00 0.00 N ATOM 640 CZ ARG A 36 0.665 -2.735 12.460 1.00 0.00 C ATOM 641 NH1 ARG A 36 0.581 -1.514 11.949 1.00 0.00 N ATOM 642 NH2 ARG A 36 0.249 -2.961 13.699 1.00 0.00 N ATOM 0 H ARG A 36 -1.894 -7.265 9.525 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.313 -5.480 11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.929 -5.720 9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.497 -5.138 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.841 -3.222 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.329 -3.042 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.378 -4.342 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.150 -2.609 10.268 1.00 0.00 H new ATOM 0 HE ARG A 36 1.211 -4.657 12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.899 -1.337 10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.199 -0.752 12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.311 -3.899 14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.133 -2.197 14.256 1.00 0.00 H new ATOM 656 N ASP A 37 -2.139 -3.716 11.006 1.00 0.00 N ATOM 657 CA ASP A 37 -3.331 -2.887 11.127 1.00 0.00 C ATOM 658 C ASP A 37 -3.098 -1.509 10.514 1.00 0.00 C ATOM 659 O ASP A 37 -2.070 -0.877 10.754 1.00 0.00 O ATOM 660 CB ASP A 37 -3.732 -2.744 12.596 1.00 0.00 C ATOM 661 CG ASP A 37 -4.649 -1.560 12.834 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.862 -1.684 12.561 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.154 -0.509 13.292 1.00 0.00 O ATOM 0 H ASP A 37 -1.322 -3.353 11.497 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.140 -3.375 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.229 -3.657 12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.835 -2.633 13.205 1.00 0.00 H new ATOM 668 N PHE A 38 -4.061 -1.050 9.722 1.00 0.00 N ATOM 669 CA PHE A 38 -3.961 0.252 9.072 1.00 0.00 C ATOM 670 C PHE A 38 -5.202 1.095 9.348 1.00 0.00 C ATOM 671 O PHE A 38 -5.686 1.812 8.473 1.00 0.00 O ATOM 672 CB PHE A 38 -3.773 0.080 7.563 1.00 0.00 C ATOM 673 CG PHE A 38 -2.563 -0.733 7.199 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.296 -0.318 7.573 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.695 -1.911 6.482 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.181 -1.065 7.238 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.584 -2.662 6.144 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.326 -2.238 6.524 1.00 0.00 C ATOM 0 H PHE A 38 -4.920 -1.560 9.515 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.094 0.769 9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.660 -0.397 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.693 1.064 7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.177 0.598 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.677 -2.247 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.802 -0.731 7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.700 -3.578 5.584 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.543 -2.823 6.263 1.00 0.00 H new ATOM 688 N ASN A 39 -5.713 1.002 10.572 1.00 0.00 N ATOM 689 CA ASN A 39 -6.899 1.754 10.965 1.00 0.00 C ATOM 690 C ASN A 39 -6.559 3.224 11.195 1.00 0.00 C ATOM 691 O ASN A 39 -7.067 4.107 10.502 1.00 0.00 O ATOM 692 CB ASN A 39 -7.512 1.157 12.233 1.00 0.00 C ATOM 693 CG ASN A 39 -8.922 1.654 12.484 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.215 2.837 12.310 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.803 0.749 12.894 1.00 0.00 N ATOM 0 H ASN A 39 -5.324 0.413 11.308 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.624 1.689 10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.522 0.070 12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.884 1.406 13.089 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.768 1.024 13.078 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.515 -0.221 13.025 1.00 0.00 H new ATOM 702 N HIS A 40 -5.696 3.480 12.173 1.00 0.00 N ATOM 703 CA HIS A 40 -5.286 4.842 12.494 1.00 0.00 C ATOM 704 C HIS A 40 -5.200 5.696 11.233 1.00 0.00 C ATOM 705 O HIS A 40 -5.476 6.895 11.263 1.00 0.00 O ATOM 706 CB HIS A 40 -3.936 4.836 13.213 1.00 0.00 C ATOM 707 CG HIS A 40 -2.823 4.266 12.390 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.940 3.092 11.675 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.565 4.716 12.168 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.801 2.844 11.051 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.951 3.815 11.333 1.00 0.00 N ATOM 0 H HIS A 40 -5.267 2.762 12.757 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.038 5.274 13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.681 5.857 13.498 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.027 4.261 14.135 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.126 5.616 12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.600 1.992 10.418 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.006 3.884 10.987 1.00 0.00 H new ATOM 719 N ILE A 41 -4.815 5.070 10.126 1.00 0.00 N ATOM 720 CA ILE A 41 -4.693 5.773 8.855 1.00 0.00 C ATOM 721 C ILE A 41 -6.004 5.732 8.077 1.00 0.00 C ATOM 722 O ILE A 41 -6.631 4.681 7.951 1.00 0.00 O ATOM 723 CB ILE A 41 -3.574 5.171 7.984 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.244 5.192 8.740 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.456 5.932 6.672 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.215 4.237 8.177 1.00 0.00 C ATOM 0 H ILE A 41 -4.582 4.078 10.084 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.443 6.808 9.089 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.826 4.135 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.839 6.204 8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.425 4.943 9.786 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.661 5.495 6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.400 5.871 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.223 6.977 6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.297 4.305 8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.600 3.218 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.005 4.499 7.140 1.00 0.00 H new ATOM 738 N ASN A 42 -6.411 6.884 7.554 1.00 0.00 N ATOM 739 CA ASN A 42 -7.648 6.981 6.787 1.00 0.00 C ATOM 740 C ASN A 42 -7.386 6.747 5.302 1.00 0.00 C ATOM 741 O ASN A 42 -6.765 7.572 4.633 1.00 0.00 O ATOM 742 CB ASN A 42 -8.294 8.353 6.993 1.00 0.00 C ATOM 743 CG ASN A 42 -9.768 8.357 6.634 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.525 7.486 7.063 1.00 0.00 O ATOM 745 ND2 ASN A 42 -10.181 9.340 5.843 1.00 0.00 N ATOM 0 H ASN A 42 -5.903 7.763 7.647 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.330 6.209 7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.175 8.655 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.773 9.092 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.161 9.395 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.518 10.040 5.511 1.00 0.00 H new ATOM 752 N VAL A 43 -7.865 5.616 4.794 1.00 0.00 N ATOM 753 CA VAL A 43 -7.684 5.273 3.388 1.00 0.00 C ATOM 754 C VAL A 43 -8.807 4.368 2.895 1.00 0.00 C ATOM 755 O VAL A 43 -9.712 4.017 3.651 1.00 0.00 O ATOM 756 CB VAL A 43 -6.334 4.574 3.150 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.183 5.546 3.361 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.193 3.363 4.061 1.00 0.00 C ATOM 0 H VAL A 43 -8.381 4.922 5.335 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.703 6.208 2.829 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.301 4.229 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.237 5.033 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.277 6.378 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.209 5.924 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.233 2.881 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.248 3.682 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.998 2.657 3.855 1.00 0.00 H new ATOM 768 N GLU A 44 -8.741 3.993 1.622 1.00 0.00 N ATOM 769 CA GLU A 44 -9.753 3.128 1.027 1.00 0.00 C ATOM 770 C GLU A 44 -9.147 1.795 0.597 1.00 0.00 C ATOM 771 O GLU A 44 -8.078 1.755 -0.014 1.00 0.00 O ATOM 772 CB GLU A 44 -10.403 3.816 -0.176 1.00 0.00 C ATOM 773 CG GLU A 44 -11.391 4.906 0.207 1.00 0.00 C ATOM 774 CD GLU A 44 -12.611 4.361 0.924 1.00 0.00 C ATOM 775 OE1 GLU A 44 -13.333 3.536 0.324 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.844 4.759 2.083 1.00 0.00 O ATOM 0 H GLU A 44 -7.998 4.274 0.983 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.515 2.934 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.623 4.248 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.917 3.067 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.893 5.634 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.708 5.436 -0.691 1.00 0.00 H new ATOM 783 N LEU A 45 -9.836 0.707 0.921 1.00 0.00 N ATOM 784 CA LEU A 45 -9.365 -0.629 0.569 1.00 0.00 C ATOM 785 C LEU A 45 -10.503 -1.477 0.009 1.00 0.00 C ATOM 786 O LEU A 45 -11.668 -1.272 0.348 1.00 0.00 O ATOM 787 CB LEU A 45 -8.758 -1.315 1.794 1.00 0.00 C ATOM 788 CG LEU A 45 -7.633 -0.557 2.500 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.295 -1.217 3.826 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.401 -0.480 1.610 1.00 0.00 C ATOM 0 H LEU A 45 -10.722 0.723 1.426 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.599 -0.528 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.555 -1.497 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.376 -2.289 1.488 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.975 0.458 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.492 -0.664 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.177 -1.218 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.973 -2.243 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.611 0.063 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.057 -1.488 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.652 0.040 0.686 1.00 0.00 H new ATOM 802 N SER A 46 -10.156 -2.431 -0.848 1.00 0.00 N ATOM 803 CA SER A 46 -11.148 -3.310 -1.457 1.00 0.00 C ATOM 804 C SER A 46 -10.544 -4.674 -1.774 1.00 0.00 C ATOM 805 O SER A 46 -9.324 -4.847 -1.751 1.00 0.00 O ATOM 806 CB SER A 46 -11.705 -2.678 -2.734 1.00 0.00 C ATOM 807 OG SER A 46 -12.015 -1.310 -2.532 1.00 0.00 O ATOM 0 H SER A 46 -9.195 -2.615 -1.137 1.00 0.00 H new ATOM 0 HA SER A 46 -11.961 -3.448 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.976 -2.774 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.600 -3.214 -3.049 1.00 0.00 H new ATOM 0 HG SER A 46 -12.368 -0.928 -3.363 1.00 0.00 H new ATOM 813 N LEU A 47 -11.405 -5.642 -2.070 1.00 0.00 N ATOM 814 CA LEU A 47 -10.958 -6.992 -2.391 1.00 0.00 C ATOM 815 C LEU A 47 -11.198 -7.309 -3.864 1.00 0.00 C ATOM 816 O LEU A 47 -12.270 -7.030 -4.404 1.00 0.00 O ATOM 817 CB LEU A 47 -11.684 -8.014 -1.513 1.00 0.00 C ATOM 818 CG LEU A 47 -10.917 -9.300 -1.207 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.347 -9.872 0.134 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.124 -10.322 -2.315 1.00 0.00 C ATOM 0 H LEU A 47 -12.417 -5.516 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.887 -7.050 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.941 -7.534 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.622 -8.281 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.855 -9.062 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.790 -10.787 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.146 -9.145 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.414 -10.094 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.570 -11.231 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.185 -10.556 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.765 -9.913 -3.259 1.00 0.00 H new ATOM 832 N LEU A 48 -10.195 -7.895 -4.509 1.00 0.00 N ATOM 833 CA LEU A 48 -10.297 -8.251 -5.919 1.00 0.00 C ATOM 834 C LEU A 48 -9.905 -9.709 -6.142 1.00 0.00 C ATOM 835 O LEU A 48 -8.989 -10.220 -5.501 1.00 0.00 O ATOM 836 CB LEU A 48 -9.408 -7.337 -6.764 1.00 0.00 C ATOM 837 CG LEU A 48 -9.572 -5.835 -6.527 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.630 -5.047 -7.423 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.015 -5.413 -6.763 1.00 0.00 C ATOM 0 H LEU A 48 -9.302 -8.133 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.335 -8.121 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.367 -7.602 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.606 -7.542 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.317 -5.620 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.761 -3.980 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.600 -5.329 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.853 -5.266 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.114 -4.341 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.298 -5.642 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.669 -5.953 -6.078 1.00 0.00 H new ATOM 851 N GLY A 49 -10.604 -10.372 -7.058 1.00 0.00 N ATOM 852 CA GLY A 49 -10.312 -11.763 -7.351 1.00 0.00 C ATOM 853 C GLY A 49 -10.863 -12.200 -8.694 1.00 0.00 C ATOM 854 O GLY A 49 -11.520 -13.236 -8.796 1.00 0.00 O ATOM 0 H GLY A 49 -11.367 -9.971 -7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.233 -11.915 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.733 -12.392 -6.567 1.00 0.00 H new ATOM 858 N LYS A 50 -10.598 -11.409 -9.727 1.00 0.00 N ATOM 859 CA LYS A 50 -11.071 -11.719 -11.070 1.00 0.00 C ATOM 860 C LYS A 50 -10.308 -12.903 -11.657 1.00 0.00 C ATOM 861 O LYS A 50 -10.812 -13.608 -12.531 1.00 0.00 O ATOM 862 CB LYS A 50 -10.918 -10.498 -11.982 1.00 0.00 C ATOM 863 CG LYS A 50 -9.489 -9.997 -12.093 1.00 0.00 C ATOM 864 CD LYS A 50 -9.322 -9.042 -13.263 1.00 0.00 C ATOM 865 CE LYS A 50 -9.644 -7.611 -12.865 1.00 0.00 C ATOM 866 NZ LYS A 50 -11.107 -7.338 -12.905 1.00 0.00 N ATOM 0 H LYS A 50 -10.057 -10.547 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.126 -11.986 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.284 -10.750 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.548 -9.692 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.206 -9.494 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.814 -10.844 -12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.299 -9.096 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.974 -9.349 -14.080 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.267 -7.420 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.128 -6.923 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.267 -6.336 -13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.552 -7.935 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.526 -7.552 -11.977 1.00 0.00 H new ATOM 880 N LYS A 51 -9.091 -13.115 -11.170 1.00 0.00 N ATOM 881 CA LYS A 51 -8.258 -14.215 -11.642 1.00 0.00 C ATOM 882 C LYS A 51 -7.619 -14.957 -10.472 1.00 0.00 C ATOM 883 O LYS A 51 -7.491 -16.180 -10.495 1.00 0.00 O ATOM 884 CB LYS A 51 -7.170 -13.691 -12.583 1.00 0.00 C ATOM 885 CG LYS A 51 -7.709 -13.146 -13.893 1.00 0.00 C ATOM 886 CD LYS A 51 -6.740 -12.163 -14.529 1.00 0.00 C ATOM 887 CE LYS A 51 -7.395 -11.389 -15.664 1.00 0.00 C ATOM 888 NZ LYS A 51 -6.402 -10.592 -16.437 1.00 0.00 N ATOM 0 H LYS A 51 -8.659 -12.539 -10.448 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.896 -14.912 -12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.610 -12.905 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.467 -14.496 -12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.897 -13.970 -14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.665 -12.653 -13.717 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.379 -11.466 -13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.871 -12.701 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.902 -12.085 -16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.157 -10.724 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.887 -10.079 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.936 -9.911 -15.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.689 -11.229 -16.846 1.00 0.00 H new ATOM 902 N LYS A 52 -7.222 -14.208 -9.449 1.00 0.00 N ATOM 903 CA LYS A 52 -6.600 -14.794 -8.268 1.00 0.00 C ATOM 904 C LYS A 52 -6.694 -13.845 -7.077 1.00 0.00 C ATOM 905 O LYS A 52 -7.173 -12.719 -7.203 1.00 0.00 O ATOM 906 CB LYS A 52 -5.134 -15.129 -8.552 1.00 0.00 C ATOM 907 CG LYS A 52 -4.290 -13.917 -8.906 1.00 0.00 C ATOM 908 CD LYS A 52 -3.006 -14.319 -9.613 1.00 0.00 C ATOM 909 CE LYS A 52 -1.989 -14.893 -8.639 1.00 0.00 C ATOM 910 NZ LYS A 52 -0.804 -15.456 -9.343 1.00 0.00 N ATOM 0 H LYS A 52 -7.320 -13.193 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.135 -15.711 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.705 -15.616 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.086 -15.846 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.864 -13.247 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.049 -13.363 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.230 -15.057 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.580 -13.451 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.665 -14.113 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.460 -15.672 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.134 -15.837 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.109 -16.218 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.340 -14.707 -9.895 1.00 0.00 H new ATOM 924 N LYS A 53 -6.231 -14.308 -5.920 1.00 0.00 N ATOM 925 CA LYS A 53 -6.259 -13.500 -4.706 1.00 0.00 C ATOM 926 C LYS A 53 -5.470 -12.208 -4.894 1.00 0.00 C ATOM 927 O LYS A 53 -4.240 -12.219 -4.918 1.00 0.00 O ATOM 928 CB LYS A 53 -5.688 -14.292 -3.528 1.00 0.00 C ATOM 929 CG LYS A 53 -6.725 -15.125 -2.795 1.00 0.00 C ATOM 930 CD LYS A 53 -7.370 -14.343 -1.664 1.00 0.00 C ATOM 931 CE LYS A 53 -8.557 -13.529 -2.155 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.148 -12.168 -2.603 1.00 0.00 N ATOM 0 H LYS A 53 -5.832 -15.239 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.297 -13.244 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.898 -14.949 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.228 -13.599 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.493 -15.452 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.255 -16.024 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.697 -15.031 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.633 -13.678 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.041 -14.053 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.294 -13.443 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.475 -11.462 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.112 -12.124 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.571 -11.966 -3.531 1.00 0.00 H new ATOM 946 N ARG A 54 -6.187 -11.097 -5.024 1.00 0.00 N ATOM 947 CA ARG A 54 -5.553 -9.796 -5.209 1.00 0.00 C ATOM 948 C ARG A 54 -6.118 -8.771 -4.229 1.00 0.00 C ATOM 949 O ARG A 54 -7.294 -8.826 -3.867 1.00 0.00 O ATOM 950 CB ARG A 54 -5.752 -9.307 -6.645 1.00 0.00 C ATOM 951 CG ARG A 54 -4.989 -10.122 -7.677 1.00 0.00 C ATOM 952 CD ARG A 54 -4.593 -9.273 -8.875 1.00 0.00 C ATOM 953 NE ARG A 54 -3.916 -10.058 -9.902 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.080 -9.538 -10.794 1.00 0.00 C ATOM 955 NH1 ARG A 54 -2.820 -8.238 -10.784 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.502 -10.319 -11.698 1.00 0.00 N ATOM 0 H ARG A 54 -7.206 -11.071 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.486 -9.909 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.815 -9.335 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.438 -8.265 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.096 -10.546 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.604 -10.958 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.483 -8.810 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.939 -8.465 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.095 -11.062 -9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.262 -7.635 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.178 -7.841 -11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.699 -11.320 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.860 -9.919 -12.382 1.00 0.00 H new ATOM 970 N LEU A 55 -5.272 -7.840 -3.802 1.00 0.00 N ATOM 971 CA LEU A 55 -5.687 -6.803 -2.864 1.00 0.00 C ATOM 972 C LEU A 55 -5.670 -5.430 -3.527 1.00 0.00 C ATOM 973 O LEU A 55 -4.732 -5.091 -4.249 1.00 0.00 O ATOM 974 CB LEU A 55 -4.772 -6.802 -1.638 1.00 0.00 C ATOM 975 CG LEU A 55 -4.892 -5.592 -0.711 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.247 -5.583 -0.018 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.767 -5.590 0.313 1.00 0.00 C ATOM 0 H LEU A 55 -4.295 -7.782 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.707 -7.020 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.976 -7.701 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.739 -6.871 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.809 -4.687 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.315 -4.715 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.038 -5.535 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.360 -6.493 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.869 -4.722 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.818 -6.500 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.807 -5.547 -0.201 1.00 0.00 H new ATOM 989 N ARG A 56 -6.710 -4.643 -3.274 1.00 0.00 N ATOM 990 CA ARG A 56 -6.813 -3.306 -3.846 1.00 0.00 C ATOM 991 C ARG A 56 -6.489 -2.241 -2.802 1.00 0.00 C ATOM 992 O ARG A 56 -7.186 -2.110 -1.796 1.00 0.00 O ATOM 993 CB ARG A 56 -8.218 -3.075 -4.406 1.00 0.00 C ATOM 994 CG ARG A 56 -8.382 -1.735 -5.105 1.00 0.00 C ATOM 995 CD ARG A 56 -9.653 -1.694 -5.939 1.00 0.00 C ATOM 996 NE ARG A 56 -9.531 -0.791 -7.080 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.562 -0.393 -7.817 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.787 -0.818 -7.533 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.371 0.430 -8.839 1.00 0.00 N ATOM 0 H ARG A 56 -7.493 -4.908 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.088 -3.228 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.456 -3.873 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.940 -3.142 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.406 -0.937 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.519 -1.549 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.886 -2.698 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.487 -1.376 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.603 -0.447 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.938 -1.451 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.577 -0.511 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.431 0.759 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.164 0.734 -9.404 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.426 -1.482 -3.048 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.010 -0.430 -2.130 1.00 0.00 C ATOM 1015 C VAL A 57 -5.356 0.950 -2.681 1.00 0.00 C ATOM 1016 O VAL A 57 -4.895 1.334 -3.755 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.496 -0.493 -1.853 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.063 0.673 -0.977 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.127 -1.821 -1.208 1.00 0.00 C ATOM 0 H VAL A 57 -4.838 -1.577 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.551 -0.593 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.968 -0.417 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.991 0.611 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.291 1.612 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.597 0.633 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.054 -1.848 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.664 -1.929 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.399 -2.638 -1.876 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.172 1.689 -1.938 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.581 3.026 -2.351 1.00 0.00 C ATOM 1031 C ASP A 58 -6.404 4.025 -1.211 1.00 0.00 C ATOM 1032 O ASP A 58 -6.712 3.726 -0.056 1.00 0.00 O ATOM 1033 CB ASP A 58 -8.038 3.017 -2.816 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.447 4.326 -3.463 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.828 5.258 -2.725 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.386 4.416 -4.707 1.00 0.00 O ATOM 0 H ASP A 58 -6.563 1.385 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.945 3.333 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.185 2.203 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.687 2.818 -1.963 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.906 5.211 -1.542 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.688 6.254 -0.547 1.00 0.00 C ATOM 1043 C LYS A 59 -6.638 7.426 -0.770 1.00 0.00 C ATOM 1044 O LYS A 59 -7.321 7.497 -1.793 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.238 6.743 -0.600 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.284 5.908 0.236 1.00 0.00 C ATOM 1047 CD LYS A 59 -3.165 4.491 -0.300 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.549 3.555 0.728 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.062 3.614 0.712 1.00 0.00 N ATOM 0 H LYS A 59 -5.646 5.474 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.887 5.829 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.899 6.738 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.199 7.777 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.301 6.378 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.633 5.879 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.152 4.124 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.555 4.493 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.912 3.818 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.874 2.534 0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.679 2.669 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.749 4.281 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.717 3.933 1.640 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.675 8.342 0.189 1.00 0.00 N ATOM 1064 CA TRP A 60 -7.542 9.512 0.096 1.00 0.00 C ATOM 1065 C TRP A 60 -7.281 10.281 -1.195 1.00 0.00 C ATOM 1066 O TRP A 60 -6.318 11.040 -1.291 1.00 0.00 O ATOM 1067 CB TRP A 60 -7.328 10.428 1.302 1.00 0.00 C ATOM 1068 CG TRP A 60 -5.934 10.373 1.850 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.797 10.049 1.167 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -5.532 10.647 3.197 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -3.712 10.106 2.008 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -4.135 10.471 3.258 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -6.214 11.026 4.355 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -3.412 10.660 4.432 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -5.495 11.213 5.521 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -4.105 11.031 5.552 1.00 0.00 C ATOM 0 H TRP A 60 -6.115 8.298 1.041 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.576 9.168 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -7.558 11.454 1.015 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.031 10.152 2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.756 9.787 0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.747 9.908 1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.284 11.171 4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -2.342 10.519 4.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.013 11.504 6.423 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -3.571 11.187 6.478 1.00 0.00 H new ATOM 1087 N TRP A 61 -8.146 10.079 -2.183 1.00 0.00 N ATOM 1088 CA TRP A 61 -8.009 10.755 -3.468 1.00 0.00 C ATOM 1089 C TRP A 61 -7.707 12.237 -3.274 1.00 0.00 C ATOM 1090 O TRP A 61 -8.561 13.000 -2.824 1.00 0.00 O ATOM 1091 CB TRP A 61 -9.284 10.585 -4.295 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.949 9.258 -4.095 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -9.388 8.025 -4.273 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -11.300 9.029 -3.681 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -10.310 7.045 -3.995 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -11.491 7.635 -3.629 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -12.368 9.867 -3.348 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.704 7.063 -3.257 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.572 9.298 -2.980 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.732 7.907 -2.936 1.00 0.00 C ATOM 0 H TRP A 61 -8.949 9.453 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 61 -7.175 10.301 -4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.986 11.378 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.043 10.707 -5.351 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.370 7.847 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.142 6.040 -4.052 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.254 10.941 -3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.829 5.991 -3.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.404 9.936 -2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.685 7.493 -2.643 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.487 12.638 -3.618 1.00 0.00 N ATOM 1112 CA GLY A 62 -6.096 14.028 -3.474 1.00 0.00 C ATOM 1113 C GLY A 62 -4.688 14.288 -3.973 1.00 0.00 C ATOM 1114 O GLY A 62 -4.356 13.964 -5.112 1.00 0.00 O ATOM 0 H GLY A 62 -5.763 12.026 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.795 14.658 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.165 14.315 -2.425 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.858 14.879 -3.118 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.479 15.185 -3.479 1.00 0.00 C ATOM 1120 C ASN A 63 -1.757 13.936 -3.976 1.00 0.00 C ATOM 1121 O ASN A 63 -2.309 12.836 -3.950 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.735 15.776 -2.281 1.00 0.00 C ATOM 1123 CG ASN A 63 -2.302 17.116 -1.851 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -3.052 17.202 -0.878 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.945 18.169 -2.577 1.00 0.00 N ATOM 0 H ASN A 63 -4.117 15.155 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.495 15.919 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.786 15.078 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.681 15.895 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.295 19.097 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.321 18.050 -3.375 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.520 14.115 -4.426 1.00 0.00 N ATOM 1133 CA ARG A 64 0.279 13.003 -4.929 1.00 0.00 C ATOM 1134 C ARG A 64 0.977 12.275 -3.785 1.00 0.00 C ATOM 1135 O ARG A 64 2.050 11.699 -3.963 1.00 0.00 O ATOM 1136 CB ARG A 64 1.315 13.505 -5.935 1.00 0.00 C ATOM 1137 CG ARG A 64 1.663 12.488 -7.011 1.00 0.00 C ATOM 1138 CD ARG A 64 2.506 13.110 -8.113 1.00 0.00 C ATOM 1139 NE ARG A 64 3.931 13.091 -7.789 1.00 0.00 N ATOM 1140 CZ ARG A 64 4.838 13.826 -8.421 1.00 0.00 C ATOM 1141 NH1 ARG A 64 4.471 14.636 -9.405 1.00 0.00 N ATOM 1142 NH2 ARG A 64 6.115 13.755 -8.068 1.00 0.00 N ATOM 0 H ARG A 64 -0.049 15.019 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.392 12.303 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.938 14.410 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.224 13.781 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.204 11.654 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.747 12.081 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.339 12.571 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.185 14.139 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 64 4.246 12.479 -7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.490 14.695 -9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.170 15.200 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.401 13.135 -7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.811 14.320 -8.555 1.00 0.00 H new ATOM 1156 N LYS A 65 0.361 12.303 -2.608 1.00 0.00 N ATOM 1157 CA LYS A 65 0.922 11.646 -1.434 1.00 0.00 C ATOM 1158 C LYS A 65 0.655 10.145 -1.472 1.00 0.00 C ATOM 1159 O LYS A 65 1.385 9.361 -0.866 1.00 0.00 O ATOM 1160 CB LYS A 65 0.330 12.247 -0.157 1.00 0.00 C ATOM 1161 CG LYS A 65 0.886 11.634 1.117 1.00 0.00 C ATOM 1162 CD LYS A 65 2.286 12.144 1.415 1.00 0.00 C ATOM 1163 CE LYS A 65 2.769 11.682 2.781 1.00 0.00 C ATOM 1164 NZ LYS A 65 4.234 11.886 2.950 1.00 0.00 N ATOM 0 H LYS A 65 -0.528 12.774 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 65 2.000 11.806 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.521 13.320 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.752 12.116 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.227 11.868 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.906 10.548 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.974 11.792 0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.294 13.233 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.234 12.227 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.532 10.626 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.524 11.559 3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.746 11.345 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.457 12.897 2.851 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.392 9.751 -2.190 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.751 8.343 -2.307 1.00 0.00 C ATOM 1180 C GLU A 66 0.416 7.526 -2.852 1.00 0.00 C ATOM 1181 O GLU A 66 0.502 6.318 -2.628 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.971 8.180 -3.218 1.00 0.00 C ATOM 1183 CG GLU A 66 -3.149 9.051 -2.819 1.00 0.00 C ATOM 1184 CD GLU A 66 -4.241 9.074 -3.871 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -5.074 8.145 -3.882 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -4.261 10.023 -4.684 1.00 0.00 O ATOM 0 H GLU A 66 -1.006 10.387 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.996 7.973 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.684 8.419 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.283 7.136 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.563 8.687 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.800 10.068 -2.641 1.00 0.00 H new ATOM 1193 N LEU A 67 1.314 8.194 -3.569 1.00 0.00 N ATOM 1194 CA LEU A 67 2.478 7.532 -4.147 1.00 0.00 C ATOM 1195 C LEU A 67 3.383 6.971 -3.055 1.00 0.00 C ATOM 1196 O LEU A 67 3.773 5.805 -3.096 1.00 0.00 O ATOM 1197 CB LEU A 67 3.263 8.509 -5.024 1.00 0.00 C ATOM 1198 CG LEU A 67 2.857 8.563 -6.497 1.00 0.00 C ATOM 1199 CD1 LEU A 67 3.544 9.725 -7.197 1.00 0.00 C ATOM 1200 CD2 LEU A 67 3.189 7.249 -7.190 1.00 0.00 C ATOM 0 H LEU A 67 1.258 9.194 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 67 2.126 6.704 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.159 9.509 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.320 8.248 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 67 1.779 8.718 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.243 9.748 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.257 10.660 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.625 9.601 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.893 7.305 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.261 7.064 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.651 6.435 -6.704 1.00 0.00 H new ATOM 1212 N ALA A 68 3.712 7.809 -2.077 1.00 0.00 N ATOM 1213 CA ALA A 68 4.569 7.397 -0.973 1.00 0.00 C ATOM 1214 C ALA A 68 3.855 6.394 -0.071 1.00 0.00 C ATOM 1215 O ALA A 68 4.441 5.398 0.354 1.00 0.00 O ATOM 1216 CB ALA A 68 5.014 8.609 -0.169 1.00 0.00 C ATOM 0 H ALA A 68 3.397 8.778 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 68 5.450 6.910 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.654 8.286 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.569 9.290 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.139 9.121 0.232 1.00 0.00 H new ATOM 1222 N THR A 69 2.586 6.665 0.220 1.00 0.00 N ATOM 1223 CA THR A 69 1.794 5.788 1.072 1.00 0.00 C ATOM 1224 C THR A 69 1.598 4.422 0.426 1.00 0.00 C ATOM 1225 O THR A 69 1.675 3.391 1.093 1.00 0.00 O ATOM 1226 CB THR A 69 0.414 6.400 1.379 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.501 7.830 1.379 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.103 5.920 2.727 1.00 0.00 C ATOM 0 H THR A 69 2.085 7.485 -0.122 1.00 0.00 H new ATOM 0 HA THR A 69 2.347 5.670 2.004 1.00 0.00 H new ATOM 0 HB THR A 69 -0.282 6.078 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.381 8.211 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.079 6.365 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.196 4.834 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.594 6.216 3.511 1.00 0.00 H new ATOM 1236 N VAL A 70 1.345 4.420 -0.880 1.00 0.00 N ATOM 1237 CA VAL A 70 1.140 3.180 -1.618 1.00 0.00 C ATOM 1238 C VAL A 70 2.394 2.312 -1.592 1.00 0.00 C ATOM 1239 O VAL A 70 2.321 1.106 -1.352 1.00 0.00 O ATOM 1240 CB VAL A 70 0.751 3.456 -3.082 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.966 2.215 -3.935 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.692 3.929 -3.169 1.00 0.00 C ATOM 0 H VAL A 70 1.277 5.264 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 70 0.324 2.650 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 70 1.393 4.248 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.686 2.429 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.016 1.925 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.351 1.400 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.950 4.119 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.352 3.160 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.810 4.847 -2.592 1.00 0.00 H new ATOM 1252 N ARG A 71 3.542 2.933 -1.838 1.00 0.00 N ATOM 1253 CA ARG A 71 4.811 2.217 -1.844 1.00 0.00 C ATOM 1254 C ARG A 71 5.105 1.618 -0.471 1.00 0.00 C ATOM 1255 O ARG A 71 5.662 0.525 -0.363 1.00 0.00 O ATOM 1256 CB ARG A 71 5.949 3.154 -2.257 1.00 0.00 C ATOM 1257 CG ARG A 71 6.200 3.181 -3.755 1.00 0.00 C ATOM 1258 CD ARG A 71 7.218 4.248 -4.130 1.00 0.00 C ATOM 1259 NE ARG A 71 7.304 4.440 -5.574 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.991 3.641 -6.382 1.00 0.00 C ATOM 1261 NH1 ARG A 71 8.649 2.600 -5.889 1.00 0.00 N ATOM 1262 NH2 ARG A 71 8.021 3.881 -7.687 1.00 0.00 N ATOM 0 H ARG A 71 3.619 3.931 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 71 4.737 1.405 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.719 4.164 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.863 2.848 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.557 2.205 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.263 3.370 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.947 5.191 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.197 3.966 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 71 6.809 5.231 -5.985 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.628 2.412 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.176 1.988 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.516 4.680 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.549 3.266 -8.307 1.00 0.00 H new ATOM 1276 N THR A 72 4.726 2.343 0.578 1.00 0.00 N ATOM 1277 CA THR A 72 4.949 1.885 1.943 1.00 0.00 C ATOM 1278 C THR A 72 4.048 0.702 2.280 1.00 0.00 C ATOM 1279 O THR A 72 4.515 -0.323 2.777 1.00 0.00 O ATOM 1280 CB THR A 72 4.698 3.014 2.962 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.450 4.176 2.598 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.084 2.571 4.365 1.00 0.00 C ATOM 0 H THR A 72 4.263 3.249 0.507 1.00 0.00 H new ATOM 0 HA THR A 72 5.992 1.573 2.006 1.00 0.00 H new ATOM 0 HB THR A 72 3.635 3.253 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.131 4.515 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.898 3.384 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.489 1.703 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.142 2.308 4.386 1.00 0.00 H new ATOM 1290 N ILE A 73 2.757 0.851 2.009 1.00 0.00 N ATOM 1291 CA ILE A 73 1.791 -0.206 2.282 1.00 0.00 C ATOM 1292 C ILE A 73 2.070 -1.439 1.428 1.00 0.00 C ATOM 1293 O ILE A 73 2.105 -2.561 1.933 1.00 0.00 O ATOM 1294 CB ILE A 73 0.348 0.267 2.024 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.004 1.430 2.954 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.628 -0.884 2.212 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.475 1.782 2.951 1.00 0.00 C ATOM 0 H ILE A 73 2.355 1.694 1.600 1.00 0.00 H new ATOM 0 HA ILE A 73 1.896 -0.464 3.336 1.00 0.00 H new ATOM 0 HB ILE A 73 0.274 0.615 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.299 1.177 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.572 2.307 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.643 -0.534 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.386 -1.684 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.555 -1.260 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.651 2.614 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.779 2.067 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.056 0.919 3.275 1.00 0.00 H new ATOM 1309 N CYS A 74 2.269 -1.222 0.133 1.00 0.00 N ATOM 1310 CA CYS A 74 2.546 -2.315 -0.792 1.00 0.00 C ATOM 1311 C CYS A 74 3.790 -3.087 -0.365 1.00 0.00 C ATOM 1312 O CYS A 74 3.806 -4.317 -0.381 1.00 0.00 O ATOM 1313 CB CYS A 74 2.727 -1.776 -2.212 1.00 0.00 C ATOM 1314 SG CYS A 74 1.177 -1.513 -3.105 1.00 0.00 S ATOM 0 H CYS A 74 2.244 -0.299 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 74 1.695 -2.996 -0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.271 -0.833 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.346 -2.473 -2.777 1.00 0.00 H new ATOM 0 HG CYS A 74 1.377 -0.686 -4.088 1.00 0.00 H new ATOM 1320 N SER A 75 4.833 -2.354 0.015 1.00 0.00 N ATOM 1321 CA SER A 75 6.083 -2.970 0.442 1.00 0.00 C ATOM 1322 C SER A 75 5.865 -3.856 1.665 1.00 0.00 C ATOM 1323 O SER A 75 6.406 -4.958 1.752 1.00 0.00 O ATOM 1324 CB SER A 75 7.124 -1.894 0.758 1.00 0.00 C ATOM 1325 OG SER A 75 8.279 -2.459 1.352 1.00 0.00 O ATOM 0 H SER A 75 4.836 -1.334 0.036 1.00 0.00 H new ATOM 0 HA SER A 75 6.449 -3.593 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.401 -1.372 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.692 -1.152 1.430 1.00 0.00 H new ATOM 0 HG SER A 75 8.929 -1.751 1.542 1.00 0.00 H new ATOM 1331 N HIS A 76 5.067 -3.365 2.607 1.00 0.00 N ATOM 1332 CA HIS A 76 4.774 -4.112 3.826 1.00 0.00 C ATOM 1333 C HIS A 76 4.082 -5.431 3.502 1.00 0.00 C ATOM 1334 O HIS A 76 4.491 -6.491 3.975 1.00 0.00 O ATOM 1335 CB HIS A 76 3.897 -3.278 4.761 1.00 0.00 C ATOM 1336 CG HIS A 76 4.633 -2.160 5.435 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.893 -2.308 5.977 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.280 -0.873 5.653 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.281 -1.159 6.499 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.321 -0.271 6.315 1.00 0.00 N ATOM 0 H HIS A 76 4.612 -2.454 2.551 1.00 0.00 H new ATOM 0 HA HIS A 76 5.718 -4.331 4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.065 -2.863 4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.468 -3.930 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.351 -0.405 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.224 -0.976 6.993 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.349 0.703 6.616 1.00 0.00 H new ATOM 1348 N VAL A 77 3.030 -5.360 2.692 1.00 0.00 N ATOM 1349 CA VAL A 77 2.281 -6.549 2.305 1.00 0.00 C ATOM 1350 C VAL A 77 3.165 -7.532 1.545 1.00 0.00 C ATOM 1351 O VAL A 77 3.194 -8.722 1.854 1.00 0.00 O ATOM 1352 CB VAL A 77 1.066 -6.186 1.431 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.283 -7.437 1.060 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.174 -5.184 2.148 1.00 0.00 C ATOM 0 H VAL A 77 2.677 -4.491 2.291 1.00 0.00 H new ATOM 0 HA VAL A 77 1.931 -7.017 3.225 1.00 0.00 H new ATOM 0 HB VAL A 77 1.427 -5.725 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.572 -7.161 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.927 -8.118 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.068 -7.929 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.679 -4.939 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.180 -5.616 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.741 -4.278 2.359 1.00 0.00 H new ATOM 1364 N GLN A 78 3.884 -7.024 0.549 1.00 0.00 N ATOM 1365 CA GLN A 78 4.769 -7.857 -0.257 1.00 0.00 C ATOM 1366 C GLN A 78 5.853 -8.493 0.608 1.00 0.00 C ATOM 1367 O GLN A 78 6.186 -9.665 0.440 1.00 0.00 O ATOM 1368 CB GLN A 78 5.409 -7.029 -1.371 1.00 0.00 C ATOM 1369 CG GLN A 78 4.421 -6.567 -2.431 1.00 0.00 C ATOM 1370 CD GLN A 78 3.777 -7.723 -3.171 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.653 -8.205 -2.654 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.284 -8.177 -4.197 1.00 0.00 N flip ATOM 0 H GLN A 78 3.871 -6.040 0.281 1.00 0.00 H new ATOM 0 HA GLN A 78 4.172 -8.652 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.892 -6.156 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.191 -7.620 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.644 -5.964 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.935 -5.924 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.149 -7.776 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.839 -8.954 -4.685 1.00 0.00 H new ATOM 1381 N ASN A 79 6.401 -7.711 1.532 1.00 0.00 N ATOM 1382 CA ASN A 79 7.448 -8.197 2.422 1.00 0.00 C ATOM 1383 C ASN A 79 6.919 -9.301 3.334 1.00 0.00 C ATOM 1384 O ASN A 79 7.635 -10.248 3.657 1.00 0.00 O ATOM 1385 CB ASN A 79 8.005 -7.048 3.265 1.00 0.00 C ATOM 1386 CG ASN A 79 8.930 -7.533 4.364 1.00 0.00 C ATOM 1387 OD1 ASN A 79 8.655 -7.346 5.550 1.00 0.00 O ATOM 1388 ND2 ASN A 79 10.035 -8.158 3.975 1.00 0.00 N ATOM 0 H ASN A 79 6.137 -6.738 1.684 1.00 0.00 H new ATOM 0 HA ASN A 79 8.248 -8.610 1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.545 -6.355 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.179 -6.492 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.696 -8.505 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.223 -8.291 2.981 1.00 0.00 H new ATOM 1395 N MET A 80 5.661 -9.170 3.742 1.00 0.00 N ATOM 1396 CA MET A 80 5.035 -10.158 4.614 1.00 0.00 C ATOM 1397 C MET A 80 4.936 -11.512 3.919 1.00 0.00 C ATOM 1398 O MET A 80 5.307 -12.540 4.486 1.00 0.00 O ATOM 1399 CB MET A 80 3.643 -9.685 5.037 1.00 0.00 C ATOM 1400 CG MET A 80 3.668 -8.531 6.027 1.00 0.00 C ATOM 1401 SD MET A 80 2.098 -7.648 6.104 1.00 0.00 S ATOM 1402 CE MET A 80 1.300 -8.495 7.466 1.00 0.00 C ATOM 0 H MET A 80 5.056 -8.391 3.483 1.00 0.00 H new ATOM 0 HA MET A 80 5.658 -10.271 5.501 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.087 -9.380 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.103 -10.522 5.480 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.915 -8.913 7.018 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.459 -7.835 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.439 -7.916 7.800 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.970 -9.481 7.138 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.005 -8.604 8.290 1.00 0.00 H new ATOM 1412 N ILE A 81 4.431 -11.505 2.690 1.00 0.00 N ATOM 1413 CA ILE A 81 4.284 -12.733 1.918 1.00 0.00 C ATOM 1414 C ILE A 81 5.625 -13.438 1.746 1.00 0.00 C ATOM 1415 O ILE A 81 5.748 -14.635 2.005 1.00 0.00 O ATOM 1416 CB ILE A 81 3.680 -12.456 0.529 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.367 -11.682 0.665 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.457 -13.761 -0.221 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.891 -11.067 -0.633 1.00 0.00 C ATOM 0 H ILE A 81 4.117 -10.663 2.208 1.00 0.00 H new ATOM 0 HA ILE A 81 3.606 -13.378 2.477 1.00 0.00 H new ATOM 0 HB ILE A 81 4.381 -11.847 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.596 -12.353 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.495 -10.893 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.030 -13.549 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.409 -14.277 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.772 -14.393 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.956 -10.534 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.643 -10.370 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.731 -11.853 -1.371 1.00 0.00 H new ATOM 1431 N LYS A 82 6.630 -12.687 1.309 1.00 0.00 N ATOM 1432 CA LYS A 82 7.964 -13.238 1.104 1.00 0.00 C ATOM 1433 C LYS A 82 8.539 -13.772 2.412 1.00 0.00 C ATOM 1434 O LYS A 82 9.264 -14.766 2.424 1.00 0.00 O ATOM 1435 CB LYS A 82 8.896 -12.170 0.524 1.00 0.00 C ATOM 1436 CG LYS A 82 8.536 -11.754 -0.891 1.00 0.00 C ATOM 1437 CD LYS A 82 9.724 -11.135 -1.609 1.00 0.00 C ATOM 1438 CE LYS A 82 10.541 -12.187 -2.344 1.00 0.00 C ATOM 1439 NZ LYS A 82 9.975 -12.492 -3.687 1.00 0.00 N ATOM 0 H LYS A 82 6.546 -11.694 1.090 1.00 0.00 H new ATOM 0 HA LYS A 82 7.884 -14.065 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.874 -11.291 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.918 -12.548 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.185 -12.622 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.714 -11.039 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.372 -10.386 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.358 -10.619 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.568 -11.838 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.577 -13.100 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.560 -13.213 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.004 -12.849 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.965 -11.627 -4.264 1.00 0.00 H new ATOM 1453 N GLY A 83 8.209 -13.105 3.515 1.00 0.00 N ATOM 1454 CA GLY A 83 8.700 -13.529 4.813 1.00 0.00 C ATOM 1455 C GLY A 83 8.019 -14.790 5.307 1.00 0.00 C ATOM 1456 O GLY A 83 8.625 -15.597 6.011 1.00 0.00 O ATOM 0 H GLY A 83 7.611 -12.279 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.775 -13.700 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.544 -12.728 5.536 1.00 0.00 H new ATOM 1460 N VAL A 84 6.753 -14.959 4.940 1.00 0.00 N ATOM 1461 CA VAL A 84 5.988 -16.131 5.351 1.00 0.00 C ATOM 1462 C VAL A 84 6.080 -17.240 4.309 1.00 0.00 C ATOM 1463 O VAL A 84 5.589 -18.349 4.522 1.00 0.00 O ATOM 1464 CB VAL A 84 4.505 -15.780 5.582 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.375 -14.643 6.583 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.831 -15.421 4.266 1.00 0.00 C ATOM 0 H VAL A 84 6.235 -14.300 4.359 1.00 0.00 H new ATOM 0 HA VAL A 84 6.422 -16.480 6.288 1.00 0.00 H new ATOM 0 HB VAL A 84 4.003 -16.655 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.321 -14.409 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.819 -14.942 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.891 -13.762 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.785 -15.176 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.333 -14.561 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.892 -16.268 3.583 1.00 0.00 H new ATOM 1476 N THR A 85 6.712 -16.934 3.180 1.00 0.00 N ATOM 1477 CA THR A 85 6.869 -17.905 2.105 1.00 0.00 C ATOM 1478 C THR A 85 8.329 -18.309 1.937 1.00 0.00 C ATOM 1479 O THR A 85 8.633 -19.344 1.341 1.00 0.00 O ATOM 1480 CB THR A 85 6.343 -17.351 0.767 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.975 -16.099 0.474 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.834 -17.165 0.813 1.00 0.00 C ATOM 0 H THR A 85 7.123 -16.021 2.987 1.00 0.00 H new ATOM 0 HA THR A 85 6.283 -18.781 2.382 1.00 0.00 H new ATOM 0 HB THR A 85 6.580 -18.070 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.784 -15.460 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.486 -16.773 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.355 -18.125 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.578 -16.464 1.607 1.00 0.00 H new ATOM 1490 N LEU A 86 9.230 -17.488 2.465 1.00 0.00 N ATOM 1491 CA LEU A 86 10.659 -17.760 2.373 1.00 0.00 C ATOM 1492 C LEU A 86 11.238 -18.094 3.744 1.00 0.00 C ATOM 1493 O LEU A 86 11.986 -19.060 3.895 1.00 0.00 O ATOM 1494 CB LEU A 86 11.391 -16.556 1.778 1.00 0.00 C ATOM 1495 CG LEU A 86 10.947 -16.123 0.380 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.757 -14.926 -0.091 1.00 0.00 C ATOM 1497 CD2 LEU A 86 11.078 -17.278 -0.601 1.00 0.00 C ATOM 0 H LEU A 86 8.996 -16.628 2.961 1.00 0.00 H new ATOM 0 HA LEU A 86 10.798 -18.621 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.267 -15.710 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.456 -16.784 1.744 1.00 0.00 H new ATOM 0 HG LEU A 86 9.898 -15.829 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.427 -14.633 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.612 -14.095 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.814 -15.191 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.758 -16.953 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.118 -17.603 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.452 -18.108 -0.272 1.00 0.00 H new ATOM 1509 N GLY A 87 10.886 -17.290 4.743 1.00 0.00 N ATOM 1510 CA GLY A 87 11.377 -17.519 6.089 1.00 0.00 C ATOM 1511 C GLY A 87 11.945 -16.263 6.719 1.00 0.00 C ATOM 1512 O GLY A 87 13.162 -16.106 6.820 1.00 0.00 O ATOM 0 H GLY A 87 10.269 -16.484 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.565 -17.898 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.147 -18.290 6.066 1.00 0.00 H new ATOM 1516 N SER A 88 11.063 -15.366 7.146 1.00 0.00 N ATOM 1517 CA SER A 88 11.482 -14.114 7.765 1.00 0.00 C ATOM 1518 C SER A 88 12.268 -14.379 9.047 1.00 0.00 C ATOM 1519 O SER A 88 12.377 -15.518 9.497 1.00 0.00 O ATOM 1520 CB SER A 88 10.267 -13.239 8.071 1.00 0.00 C ATOM 1521 OG SER A 88 10.603 -11.863 8.021 1.00 0.00 O ATOM 0 H SER A 88 10.052 -15.483 7.075 1.00 0.00 H new ATOM 0 HA SER A 88 12.130 -13.589 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.474 -13.449 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.877 -13.486 9.059 1.00 0.00 H new ATOM 0 HG SER A 88 9.808 -11.325 8.219 1.00 0.00 H new ATOM 1527 N GLY A 89 12.815 -13.316 9.629 1.00 0.00 N ATOM 1528 CA GLY A 89 13.583 -13.453 10.852 1.00 0.00 C ATOM 1529 C GLY A 89 13.797 -12.128 11.554 1.00 0.00 C ATOM 1530 O GLY A 89 13.240 -11.100 11.168 1.00 0.00 O ATOM 0 H GLY A 89 12.740 -12.362 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.068 -14.138 11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.551 -13.899 10.622 1.00 0.00 H new ATOM 1534 N PRO A 90 14.619 -12.141 12.614 1.00 0.00 N ATOM 1535 CA PRO A 90 14.923 -10.938 13.395 1.00 0.00 C ATOM 1536 C PRO A 90 15.779 -9.943 12.620 1.00 0.00 C ATOM 1537 O PRO A 90 15.878 -8.773 12.989 1.00 0.00 O ATOM 1538 CB PRO A 90 15.695 -11.483 14.599 1.00 0.00 C ATOM 1539 CG PRO A 90 16.295 -12.759 14.119 1.00 0.00 C ATOM 1540 CD PRO A 90 15.316 -13.330 13.130 1.00 0.00 C ATOM 0 HA PRO A 90 14.021 -10.388 13.662 1.00 0.00 H new ATOM 0 HB2 PRO A 90 16.464 -10.783 14.926 1.00 0.00 H new ATOM 0 HB3 PRO A 90 15.034 -11.652 15.449 1.00 0.00 H new ATOM 0 HG2 PRO A 90 17.264 -12.583 13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 90 16.460 -13.448 14.947 1.00 0.00 H new ATOM 0 HD2 PRO A 90 15.822 -13.876 12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.625 -14.026 13.605 1.00 0.00 H new ATOM 1548 N SER A 91 16.398 -10.416 11.541 1.00 0.00 N ATOM 1549 CA SER A 91 17.249 -9.568 10.716 1.00 0.00 C ATOM 1550 C SER A 91 16.466 -8.998 9.536 1.00 0.00 C ATOM 1551 O SER A 91 15.597 -9.663 8.974 1.00 0.00 O ATOM 1552 CB SER A 91 18.454 -10.361 10.206 1.00 0.00 C ATOM 1553 OG SER A 91 18.063 -11.318 9.236 1.00 0.00 O ATOM 0 H SER A 91 16.325 -11.381 11.219 1.00 0.00 H new ATOM 0 HA SER A 91 17.601 -8.740 11.331 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.185 -9.678 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.942 -10.864 11.041 1.00 0.00 H new ATOM 0 HG SER A 91 18.852 -11.810 8.925 1.00 0.00 H new ATOM 1559 N SER A 92 16.782 -7.761 9.168 1.00 0.00 N ATOM 1560 CA SER A 92 16.107 -7.096 8.059 1.00 0.00 C ATOM 1561 C SER A 92 15.846 -8.075 6.919 1.00 0.00 C ATOM 1562 O SER A 92 16.535 -9.085 6.782 1.00 0.00 O ATOM 1563 CB SER A 92 16.944 -5.919 7.555 1.00 0.00 C ATOM 1564 OG SER A 92 18.138 -6.370 6.938 1.00 0.00 O ATOM 0 H SER A 92 17.502 -7.198 9.622 1.00 0.00 H new ATOM 0 HA SER A 92 15.149 -6.721 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.362 -5.333 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.188 -5.259 8.388 1.00 0.00 H new ATOM 0 HG SER A 92 18.655 -5.599 6.623 1.00 0.00 H new ATOM 1570 N GLY A 93 14.844 -7.768 6.100 1.00 0.00 N ATOM 1571 CA GLY A 93 14.508 -8.629 4.982 1.00 0.00 C ATOM 1572 C GLY A 93 14.463 -10.094 5.371 1.00 0.00 C ATOM 1573 O GLY A 93 14.382 -10.426 6.554 1.00 0.00 O ATOM 0 H GLY A 93 14.259 -6.937 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.540 -8.334 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.241 -8.490 4.187 1.00 0.00 H new TER 1577 GLY A 93