USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 636 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 73 THR OG1 : rot -127:sc= 0.464 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -176:sc= 0.121 (180deg=0.0742) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 172:sc= -0.0744 (180deg=-0.215) USER MOD Set 2.2: A 53 SER OG : rot 180:sc= -0.404 USER MOD Set 3.1: A 38 GLN : amide:sc= -1.5 X(o=-4.5,f=-4.3!) USER MOD Set 3.2: A 43 ASN : amide:sc= -3.04! K(o=-4.5!,f=-0.99) USER MOD Set 4.1: A 14 THR OG1 : rot -137:sc= 1.06 USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0.907 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.37 (180deg=1.09) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 13 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.59) USER MOD Single : A 15 MET CE :methyl 168:sc= -0.858 (180deg=-1.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 178:sc= -0.0332 (180deg=-0.0479) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 28 SER OG : rot 34:sc= 0.0219 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= -0.339 (180deg=-2.68!) USER MOD Single : A 56 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-1.5) USER MOD Single : A 58 MET CE :methyl 158:sc= -0.153 (180deg=-0.708) USER MOD Single : A 65 LYS NZ :NH3+ -112:sc= 0.605 (180deg=-2.16!) USER MOD Single : A 67 ASN : amide:sc= -0.268 K(o=-0.27,f=-5!) USER MOD Single : A 70 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.587 3.033 -5.391 1.00 0.00 N ATOM 2 CA MET A 1 12.072 2.870 -4.015 1.00 0.00 C ATOM 3 C MET A 1 11.245 1.584 -3.905 1.00 0.00 C ATOM 4 O MET A 1 10.235 1.428 -4.604 1.00 0.00 O ATOM 5 CB MET A 1 11.232 4.103 -3.578 1.00 0.00 C ATOM 6 CG MET A 1 12.048 5.371 -3.303 1.00 0.00 C ATOM 7 SD MET A 1 12.977 5.935 -4.742 1.00 0.00 S ATOM 8 CE MET A 1 13.872 7.327 -4.055 1.00 0.00 C ATOM 0 H1 MET A 1 12.731 4.044 -5.590 1.00 0.00 H new ATOM 0 H2 MET A 1 13.492 2.529 -5.485 1.00 0.00 H new ATOM 0 H3 MET A 1 11.901 2.641 -6.067 1.00 0.00 H new ATOM 0 HA MET A 1 12.925 2.795 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.500 4.320 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.674 3.845 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.377 6.165 -2.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.740 5.181 -2.482 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.492 7.779 -4.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.164 8.066 -3.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.506 6.984 -3.237 1.00 0.00 H new ATOM 20 N LYS A 2 11.703 0.661 -3.041 1.00 0.00 N ATOM 21 CA LYS A 2 10.980 -0.583 -2.716 1.00 0.00 C ATOM 22 C LYS A 2 10.727 -0.663 -1.201 1.00 0.00 C ATOM 23 O LYS A 2 11.150 0.226 -0.451 1.00 0.00 O ATOM 24 CB LYS A 2 11.775 -1.835 -3.193 1.00 0.00 C ATOM 25 CG LYS A 2 13.064 -2.148 -2.386 1.00 0.00 C ATOM 26 CD LYS A 2 13.595 -3.576 -2.650 1.00 0.00 C ATOM 27 CE LYS A 2 14.720 -3.974 -1.679 1.00 0.00 C ATOM 28 NZ LYS A 2 15.160 -5.371 -1.897 1.00 0.00 N ATOM 0 H LYS A 2 12.589 0.757 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 2 10.024 -0.569 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.117 -2.703 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.046 -1.696 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.836 -1.423 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.860 -2.030 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.774 -4.288 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.963 -3.640 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.568 -3.301 -1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.373 -3.857 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.919 -5.605 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.357 -6.015 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.514 -5.476 -2.869 1.00 0.00 H new ATOM 42 N ILE A 3 10.058 -1.748 -0.760 1.00 0.00 N ATOM 43 CA ILE A 3 9.826 -2.013 0.670 1.00 0.00 C ATOM 44 C ILE A 3 11.160 -2.432 1.325 1.00 0.00 C ATOM 45 O ILE A 3 11.647 -3.549 1.098 1.00 0.00 O ATOM 46 CB ILE A 3 8.740 -3.134 0.906 1.00 0.00 C ATOM 47 CG1 ILE A 3 7.428 -2.803 0.121 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.467 -3.337 2.428 1.00 0.00 C ATOM 49 CD1 ILE A 3 6.275 -3.769 0.338 1.00 0.00 C ATOM 0 H ILE A 3 9.668 -2.457 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 3 9.445 -1.098 1.124 1.00 0.00 H new ATOM 0 HB ILE A 3 9.128 -4.076 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.099 -1.803 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.660 -2.774 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.715 -4.115 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.390 -3.634 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.105 -2.404 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.416 -3.448 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.575 -4.770 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.006 -3.783 1.394 1.00 0.00 H new ATOM 61 N ILE A 4 11.765 -1.504 2.078 1.00 0.00 N ATOM 62 CA ILE A 4 13.002 -1.760 2.832 1.00 0.00 C ATOM 63 C ILE A 4 12.663 -2.402 4.186 1.00 0.00 C ATOM 64 O ILE A 4 13.244 -3.428 4.554 1.00 0.00 O ATOM 65 CB ILE A 4 13.829 -0.432 3.033 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.223 0.171 1.644 1.00 0.00 C ATOM 67 CG2 ILE A 4 15.081 -0.643 3.931 1.00 0.00 C ATOM 68 CD1 ILE A 4 15.066 -0.742 0.762 1.00 0.00 C ATOM 0 H ILE A 4 11.411 -0.553 2.182 1.00 0.00 H new ATOM 0 HA ILE A 4 13.622 -2.450 2.259 1.00 0.00 H new ATOM 0 HB ILE A 4 13.190 0.278 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.311 0.431 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.771 1.099 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.615 0.301 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.769 -0.996 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.738 -1.382 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.288 -0.236 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.998 -0.983 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.516 -1.661 0.559 1.00 0.00 H new ATOM 80 N SER A 5 11.699 -1.798 4.902 1.00 0.00 N ATOM 81 CA SER A 5 11.277 -2.264 6.229 1.00 0.00 C ATOM 82 C SER A 5 9.841 -1.806 6.521 1.00 0.00 C ATOM 83 O SER A 5 9.523 -0.629 6.389 1.00 0.00 O ATOM 84 CB SER A 5 12.255 -1.738 7.316 1.00 0.00 C ATOM 85 OG SER A 5 12.393 -0.321 7.258 1.00 0.00 O ATOM 0 H SER A 5 11.193 -0.975 4.576 1.00 0.00 H new ATOM 0 HA SER A 5 11.298 -3.354 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.893 -2.029 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.231 -2.205 7.184 1.00 0.00 H new ATOM 0 HG SER A 5 13.013 -0.024 7.956 1.00 0.00 H new ATOM 91 N ILE A 6 8.967 -2.756 6.868 1.00 0.00 N ATOM 92 CA ILE A 6 7.647 -2.467 7.444 1.00 0.00 C ATOM 93 C ILE A 6 7.826 -2.210 8.957 1.00 0.00 C ATOM 94 O ILE A 6 8.791 -2.707 9.560 1.00 0.00 O ATOM 95 CB ILE A 6 6.639 -3.657 7.174 1.00 0.00 C ATOM 96 CG1 ILE A 6 6.580 -3.986 5.640 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.221 -3.344 7.725 1.00 0.00 C ATOM 98 CD1 ILE A 6 5.751 -5.214 5.266 1.00 0.00 C ATOM 0 H ILE A 6 9.155 -3.752 6.757 1.00 0.00 H new ATOM 0 HA ILE A 6 7.220 -1.582 6.973 1.00 0.00 H new ATOM 0 HB ILE A 6 7.009 -4.533 7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.175 -3.121 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.598 -4.131 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.558 -4.184 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.277 -3.179 8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.832 -2.448 7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.775 -5.354 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.166 -6.096 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.720 -5.070 5.591 1.00 0.00 H new ATOM 110 N SER A 7 6.920 -1.416 9.556 1.00 0.00 N ATOM 111 CA SER A 7 6.969 -1.075 10.995 1.00 0.00 C ATOM 112 C SER A 7 6.721 -2.303 11.899 1.00 0.00 C ATOM 113 O SER A 7 6.330 -3.381 11.426 1.00 0.00 O ATOM 114 CB SER A 7 5.940 0.035 11.311 1.00 0.00 C ATOM 115 OG SER A 7 5.932 0.392 12.687 1.00 0.00 O ATOM 0 H SER A 7 6.135 -0.993 9.061 1.00 0.00 H new ATOM 0 HA SER A 7 7.975 -0.715 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.165 0.917 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.945 -0.302 11.020 1.00 0.00 H new ATOM 0 HG SER A 7 5.268 1.097 12.838 1.00 0.00 H new ATOM 178 N HIS A 12 -3.202 -3.829 12.004 1.00 0.00 N ATOM 179 CA HIS A 12 -3.992 -2.931 12.882 1.00 0.00 C ATOM 180 C HIS A 12 -4.354 -1.636 12.130 1.00 0.00 C ATOM 181 O HIS A 12 -3.740 -0.583 12.358 1.00 0.00 O ATOM 182 CB HIS A 12 -3.261 -2.652 14.242 1.00 0.00 C ATOM 183 CG HIS A 12 -2.943 -3.881 15.057 1.00 0.00 C ATOM 184 ND1 HIS A 12 -2.209 -3.836 16.218 1.00 0.00 N ATOM 185 CD2 HIS A 12 -3.251 -5.187 14.871 1.00 0.00 C ATOM 186 CE1 HIS A 12 -2.077 -5.052 16.704 1.00 0.00 C ATOM 187 NE2 HIS A 12 -2.702 -5.891 15.910 1.00 0.00 N ATOM 0 HA HIS A 12 -4.923 -3.435 13.142 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.332 -2.120 14.036 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.882 -1.987 14.842 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.824 -5.598 14.053 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.544 -5.316 17.605 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.768 -6.900 16.045 1.00 0.00 H new ATOM 196 N ASN A 13 -5.326 -1.776 11.190 1.00 0.00 N ATOM 197 CA ASN A 13 -5.828 -0.711 10.283 1.00 0.00 C ATOM 198 C ASN A 13 -4.815 -0.359 9.183 1.00 0.00 C ATOM 199 O ASN A 13 -5.098 -0.527 8.006 1.00 0.00 O ATOM 200 CB ASN A 13 -6.288 0.572 11.034 1.00 0.00 C ATOM 201 CG ASN A 13 -7.546 0.381 11.887 1.00 0.00 C ATOM 202 OD1 ASN A 13 -7.653 0.917 12.989 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.532 -0.334 11.359 1.00 0.00 N ATOM 0 H ASN A 13 -5.798 -2.667 11.038 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.712 -1.136 9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.476 0.915 11.675 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.473 1.360 10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.407 -0.451 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.414 -0.767 10.443 1.00 0.00 H new ATOM 210 N THR A 14 -3.636 0.118 9.574 1.00 0.00 N ATOM 211 CA THR A 14 -2.639 0.631 8.630 1.00 0.00 C ATOM 212 C THR A 14 -1.215 0.223 9.048 1.00 0.00 C ATOM 213 O THR A 14 -0.861 0.266 10.236 1.00 0.00 O ATOM 214 CB THR A 14 -2.769 2.191 8.467 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.761 2.682 7.577 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.700 2.940 9.807 1.00 0.00 C ATOM 0 H THR A 14 -3.343 0.161 10.550 1.00 0.00 H new ATOM 0 HA THR A 14 -2.834 0.180 7.657 1.00 0.00 H new ATOM 0 HB THR A 14 -3.756 2.382 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.375 3.505 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.795 4.011 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.511 2.605 10.453 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.744 2.735 10.289 1.00 0.00 H new ATOM 224 N MET A 15 -0.416 -0.205 8.052 1.00 0.00 N ATOM 225 CA MET A 15 1.017 -0.518 8.243 1.00 0.00 C ATOM 226 C MET A 15 1.871 0.611 7.655 1.00 0.00 C ATOM 227 O MET A 15 1.445 1.299 6.732 1.00 0.00 O ATOM 228 CB MET A 15 1.423 -1.856 7.555 1.00 0.00 C ATOM 229 CG MET A 15 1.257 -1.877 6.025 1.00 0.00 C ATOM 230 SD MET A 15 2.403 -2.997 5.183 1.00 0.00 S ATOM 231 CE MET A 15 2.010 -4.579 5.912 1.00 0.00 C ATOM 0 H MET A 15 -0.742 -0.344 7.095 1.00 0.00 H new ATOM 0 HA MET A 15 1.187 -0.619 9.315 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.465 -2.069 7.795 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.826 -2.662 7.981 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.235 -2.169 5.783 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.400 -0.868 5.639 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.486 -5.373 5.337 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.374 -4.607 6.939 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.930 -4.724 5.906 1.00 0.00 H new ATOM 241 N LYS A 16 3.077 0.776 8.195 1.00 0.00 N ATOM 242 CA LYS A 16 4.095 1.696 7.644 1.00 0.00 C ATOM 243 C LYS A 16 5.038 0.903 6.735 1.00 0.00 C ATOM 244 O LYS A 16 5.614 -0.089 7.171 1.00 0.00 O ATOM 245 CB LYS A 16 4.898 2.357 8.792 1.00 0.00 C ATOM 246 CG LYS A 16 6.195 3.098 8.364 1.00 0.00 C ATOM 247 CD LYS A 16 7.077 3.506 9.569 1.00 0.00 C ATOM 248 CE LYS A 16 6.339 4.401 10.578 1.00 0.00 C ATOM 249 NZ LYS A 16 7.179 4.717 11.756 1.00 0.00 N ATOM 0 H LYS A 16 3.386 0.278 9.030 1.00 0.00 H new ATOM 0 HA LYS A 16 3.604 2.482 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.248 3.066 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.163 1.587 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.772 2.456 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.928 3.989 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.427 2.607 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.960 4.030 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.037 5.327 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.427 3.902 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.644 5.322 12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.446 3.835 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.037 5.216 11.446 1.00 0.00 H new ATOM 263 N ILE A 17 5.182 1.347 5.484 1.00 0.00 N ATOM 264 CA ILE A 17 6.131 0.774 4.518 1.00 0.00 C ATOM 265 C ILE A 17 7.222 1.813 4.238 1.00 0.00 C ATOM 266 O ILE A 17 7.029 2.752 3.456 1.00 0.00 O ATOM 267 CB ILE A 17 5.406 0.320 3.189 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.481 -0.906 3.481 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.412 0.008 2.049 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.727 -1.456 2.278 1.00 0.00 C ATOM 0 H ILE A 17 4.638 2.123 5.106 1.00 0.00 H new ATOM 0 HA ILE A 17 6.582 -0.124 4.940 1.00 0.00 H new ATOM 0 HB ILE A 17 4.793 1.151 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.089 -1.706 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.756 -0.619 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.867 -0.300 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.998 0.900 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.079 -0.796 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.115 -2.303 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.086 -0.678 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.439 -1.781 1.520 1.00 0.00 H new ATOM 282 N THR A 18 8.342 1.662 4.941 1.00 0.00 N ATOM 283 CA THR A 18 9.526 2.500 4.754 1.00 0.00 C ATOM 284 C THR A 18 10.178 2.165 3.399 1.00 0.00 C ATOM 285 O THR A 18 10.661 1.039 3.199 1.00 0.00 O ATOM 286 CB THR A 18 10.550 2.282 5.916 1.00 0.00 C ATOM 287 OG1 THR A 18 9.872 2.400 7.178 1.00 0.00 O ATOM 288 CG2 THR A 18 11.720 3.283 5.858 1.00 0.00 C ATOM 0 H THR A 18 8.455 0.950 5.662 1.00 0.00 H new ATOM 0 HA THR A 18 9.224 3.547 4.764 1.00 0.00 H new ATOM 0 HB THR A 18 10.971 1.283 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.512 2.262 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.404 3.092 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.251 3.167 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.333 4.299 5.935 1.00 0.00 H new ATOM 296 N LEU A 19 10.140 3.129 2.464 1.00 0.00 N ATOM 297 CA LEU A 19 10.730 2.972 1.127 1.00 0.00 C ATOM 298 C LEU A 19 12.249 3.239 1.156 1.00 0.00 C ATOM 299 O LEU A 19 12.829 3.526 2.212 1.00 0.00 O ATOM 300 CB LEU A 19 10.031 3.925 0.118 1.00 0.00 C ATOM 301 CG LEU A 19 8.501 3.695 -0.114 1.00 0.00 C ATOM 302 CD1 LEU A 19 7.937 4.694 -1.152 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.199 2.231 -0.526 1.00 0.00 C ATOM 0 H LEU A 19 9.700 4.037 2.615 1.00 0.00 H new ATOM 0 HA LEU A 19 10.576 1.942 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.174 4.950 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.539 3.837 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 19 7.997 3.877 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.872 4.510 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.085 5.713 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.456 4.564 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.127 2.110 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.726 1.997 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.532 1.555 0.262 1.00 0.00 H new ATOM 315 N SER A 20 12.887 3.149 -0.027 1.00 0.00 N ATOM 316 CA SER A 20 14.308 3.540 -0.217 1.00 0.00 C ATOM 317 C SER A 20 14.481 5.087 -0.209 1.00 0.00 C ATOM 318 O SER A 20 15.594 5.593 -0.387 1.00 0.00 O ATOM 319 CB SER A 20 14.831 2.944 -1.549 1.00 0.00 C ATOM 320 OG SER A 20 14.486 1.570 -1.664 1.00 0.00 O ATOM 0 H SER A 20 12.440 2.806 -0.877 1.00 0.00 H new ATOM 0 HA SER A 20 14.890 3.143 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.412 3.499 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.914 3.056 -1.601 1.00 0.00 H new ATOM 0 HG SER A 20 14.825 1.217 -2.513 1.00 0.00 H new ATOM 326 N GLU A 21 13.349 5.808 -0.019 1.00 0.00 N ATOM 327 CA GLU A 21 13.275 7.277 0.016 1.00 0.00 C ATOM 328 C GLU A 21 14.166 7.830 1.163 1.00 0.00 C ATOM 329 O GLU A 21 14.095 7.352 2.303 1.00 0.00 O ATOM 330 CB GLU A 21 11.768 7.703 0.186 1.00 0.00 C ATOM 331 CG GLU A 21 11.314 8.979 -0.571 1.00 0.00 C ATOM 332 CD GLU A 21 11.835 10.321 -0.012 1.00 0.00 C ATOM 333 OE1 GLU A 21 12.975 10.711 -0.344 1.00 0.00 O ATOM 334 OE2 GLU A 21 11.098 11.010 0.730 1.00 0.00 O ATOM 0 H GLU A 21 12.441 5.365 0.117 1.00 0.00 H new ATOM 0 HA GLU A 21 13.652 7.699 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.141 6.873 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.574 7.851 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.632 8.893 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.224 9.008 -0.573 1.00 0.00 H new ATOM 341 N SER A 22 14.998 8.821 0.813 1.00 0.00 N ATOM 342 CA SER A 22 15.953 9.487 1.719 1.00 0.00 C ATOM 343 C SER A 22 15.248 10.206 2.888 1.00 0.00 C ATOM 344 O SER A 22 15.807 10.329 3.981 1.00 0.00 O ATOM 345 CB SER A 22 16.814 10.483 0.910 1.00 0.00 C ATOM 346 OG SER A 22 17.826 11.076 1.704 1.00 0.00 O ATOM 0 H SER A 22 15.028 9.195 -0.136 1.00 0.00 H new ATOM 0 HA SER A 22 16.589 8.720 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.271 9.965 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.174 11.263 0.496 1.00 0.00 H new ATOM 0 HG SER A 22 18.349 11.698 1.156 1.00 0.00 H new ATOM 352 N ARG A 23 14.032 10.656 2.564 1.00 0.00 N ATOM 353 CA ARG A 23 13.127 11.537 3.336 1.00 0.00 C ATOM 354 C ARG A 23 13.163 12.943 2.737 1.00 0.00 C ATOM 355 O ARG A 23 14.237 13.449 2.403 1.00 0.00 O ATOM 356 CB ARG A 23 13.342 11.588 4.880 1.00 0.00 C ATOM 357 CG ARG A 23 12.248 12.389 5.627 1.00 0.00 C ATOM 358 CD ARG A 23 12.443 12.441 7.146 1.00 0.00 C ATOM 359 NE ARG A 23 11.268 13.063 7.802 1.00 0.00 N ATOM 360 CZ ARG A 23 10.292 12.393 8.446 1.00 0.00 C ATOM 361 NH1 ARG A 23 10.322 11.071 8.557 1.00 0.00 N ATOM 362 NH2 ARG A 23 9.263 13.050 8.957 1.00 0.00 N ATOM 0 H ARG A 23 13.610 10.393 1.674 1.00 0.00 H new ATOM 0 HA ARG A 23 12.142 11.081 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.367 10.570 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 23 14.315 12.033 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.228 13.407 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.276 11.946 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.592 11.433 7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.342 13.010 7.383 1.00 0.00 H new ATOM 0 HE ARG A 23 11.192 14.079 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.094 10.542 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.573 10.583 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.208 14.064 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.525 12.542 9.444 1.00 0.00 H new ATOM 376 N GLU A 24 11.946 13.512 2.541 1.00 0.00 N ATOM 377 CA GLU A 24 11.695 14.892 2.063 1.00 0.00 C ATOM 378 C GLU A 24 11.827 15.000 0.526 1.00 0.00 C ATOM 379 O GLU A 24 11.534 16.053 -0.057 1.00 0.00 O ATOM 380 CB GLU A 24 12.565 15.947 2.826 1.00 0.00 C ATOM 381 CG GLU A 24 12.108 17.414 2.658 1.00 0.00 C ATOM 382 CD GLU A 24 12.929 18.402 3.504 1.00 0.00 C ATOM 383 OE1 GLU A 24 12.688 18.484 4.729 1.00 0.00 O ATOM 384 OE2 GLU A 24 13.814 19.097 2.955 1.00 0.00 O ATOM 0 H GLU A 24 11.081 13.001 2.719 1.00 0.00 H new ATOM 0 HA GLU A 24 10.658 15.132 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.561 15.700 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.596 15.862 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.184 17.694 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.057 17.495 2.934 1.00 0.00 H new ATOM 391 N GLY A 25 12.230 13.898 -0.133 1.00 0.00 N ATOM 392 CA GLY A 25 12.295 13.848 -1.593 1.00 0.00 C ATOM 393 C GLY A 25 10.907 13.723 -2.217 1.00 0.00 C ATOM 394 O GLY A 25 10.648 14.248 -3.309 1.00 0.00 O ATOM 0 H GLY A 25 12.514 13.034 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.782 14.749 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.910 13.002 -1.901 1.00 0.00 H new ATOM 398 N MET A 26 10.022 13.008 -1.504 1.00 0.00 N ATOM 399 CA MET A 26 8.596 12.864 -1.854 1.00 0.00 C ATOM 400 C MET A 26 7.735 13.686 -0.871 1.00 0.00 C ATOM 401 O MET A 26 8.269 14.347 0.032 1.00 0.00 O ATOM 402 CB MET A 26 8.190 11.365 -1.823 1.00 0.00 C ATOM 403 CG MET A 26 8.911 10.471 -2.843 1.00 0.00 C ATOM 404 SD MET A 26 8.478 8.720 -2.638 1.00 0.00 S ATOM 405 CE MET A 26 9.406 7.921 -3.947 1.00 0.00 C ATOM 0 H MET A 26 10.279 12.505 -0.655 1.00 0.00 H new ATOM 0 HA MET A 26 8.430 13.242 -2.863 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.380 10.974 -0.823 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.116 11.292 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.654 10.792 -3.852 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.989 10.593 -2.734 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.249 6.843 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.067 8.295 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.467 8.138 -3.826 1.00 0.00 H new ATOM 415 N THR A 27 6.403 13.646 -1.060 1.00 0.00 N ATOM 416 CA THR A 27 5.439 14.393 -0.218 1.00 0.00 C ATOM 417 C THR A 27 4.381 13.450 0.393 1.00 0.00 C ATOM 418 O THR A 27 4.402 12.230 0.170 1.00 0.00 O ATOM 419 CB THR A 27 4.730 15.542 -1.035 1.00 0.00 C ATOM 420 OG1 THR A 27 4.028 16.425 -0.141 1.00 0.00 O ATOM 421 CG2 THR A 27 3.733 15.001 -2.088 1.00 0.00 C ATOM 0 H THR A 27 5.962 13.097 -1.798 1.00 0.00 H new ATOM 0 HA THR A 27 6.008 14.848 0.593 1.00 0.00 H new ATOM 0 HB THR A 27 5.518 16.078 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.593 17.135 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.276 15.836 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.263 14.366 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.957 14.420 -1.590 1.00 0.00 H new ATOM 429 N SER A 28 3.479 14.052 1.185 1.00 0.00 N ATOM 430 CA SER A 28 2.340 13.376 1.817 1.00 0.00 C ATOM 431 C SER A 28 1.103 13.408 0.891 1.00 0.00 C ATOM 432 O SER A 28 0.771 14.463 0.330 1.00 0.00 O ATOM 433 CB SER A 28 2.033 14.061 3.166 1.00 0.00 C ATOM 434 OG SER A 28 1.871 15.465 3.006 1.00 0.00 O ATOM 0 H SER A 28 3.525 15.046 1.407 1.00 0.00 H new ATOM 0 HA SER A 28 2.592 12.330 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.126 13.634 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.842 13.864 3.869 1.00 0.00 H new ATOM 0 HG SER A 28 1.463 15.650 2.134 1.00 0.00 H new ATOM 440 N ASP A 29 0.447 12.243 0.737 1.00 0.00 N ATOM 441 CA ASP A 29 -0.793 12.095 -0.050 1.00 0.00 C ATOM 442 C ASP A 29 -1.559 10.870 0.476 1.00 0.00 C ATOM 443 O ASP A 29 -0.957 9.997 1.090 1.00 0.00 O ATOM 444 CB ASP A 29 -0.464 11.925 -1.565 1.00 0.00 C ATOM 445 CG ASP A 29 -1.650 12.278 -2.490 1.00 0.00 C ATOM 446 OD1 ASP A 29 -2.608 11.489 -2.581 1.00 0.00 O ATOM 447 OD2 ASP A 29 -1.623 13.356 -3.126 1.00 0.00 O ATOM 0 H ASP A 29 0.765 11.370 1.159 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.407 12.989 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.387 12.558 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.161 10.895 -1.751 1.00 0.00 H new ATOM 452 N THR A 30 -2.877 10.808 0.231 1.00 0.00 N ATOM 453 CA THR A 30 -3.704 9.640 0.566 1.00 0.00 C ATOM 454 C THR A 30 -4.523 9.220 -0.673 1.00 0.00 C ATOM 455 O THR A 30 -5.509 9.864 -1.049 1.00 0.00 O ATOM 456 CB THR A 30 -4.614 9.891 1.830 1.00 0.00 C ATOM 457 OG1 THR A 30 -5.456 8.750 2.080 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.469 11.168 1.723 1.00 0.00 C ATOM 0 H THR A 30 -3.399 11.568 -0.206 1.00 0.00 H new ATOM 0 HA THR A 30 -3.046 8.817 0.843 1.00 0.00 H new ATOM 0 HB THR A 30 -3.935 10.039 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.013 8.921 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.070 11.280 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.817 12.034 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.126 11.095 0.856 1.00 0.00 H new ATOM 466 N TYR A 31 -4.063 8.148 -1.334 1.00 0.00 N ATOM 467 CA TYR A 31 -4.721 7.580 -2.516 1.00 0.00 C ATOM 468 C TYR A 31 -5.836 6.663 -2.025 1.00 0.00 C ATOM 469 O TYR A 31 -5.565 5.637 -1.409 1.00 0.00 O ATOM 470 CB TYR A 31 -3.681 6.819 -3.380 1.00 0.00 C ATOM 471 CG TYR A 31 -2.497 7.708 -3.790 1.00 0.00 C ATOM 472 CD1 TYR A 31 -2.659 8.718 -4.740 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.227 7.553 -3.218 1.00 0.00 C ATOM 474 CE1 TYR A 31 -1.611 9.538 -5.101 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.176 8.373 -3.583 1.00 0.00 C ATOM 476 CZ TYR A 31 -0.376 9.361 -4.526 1.00 0.00 C ATOM 477 OH TYR A 31 0.661 10.193 -4.881 1.00 0.00 O ATOM 0 H TYR A 31 -3.217 7.648 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.149 8.359 -3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.310 5.959 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.169 6.433 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.625 8.860 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.067 6.781 -2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.761 10.317 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.797 8.241 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 31 1.468 9.940 -4.386 1.00 0.00 H new ATOM 487 N THR A 32 -7.087 7.085 -2.224 1.00 0.00 N ATOM 488 CA THR A 32 -8.269 6.411 -1.669 1.00 0.00 C ATOM 489 C THR A 32 -9.129 5.793 -2.783 1.00 0.00 C ATOM 490 O THR A 32 -9.167 4.570 -2.943 1.00 0.00 O ATOM 491 CB THR A 32 -9.109 7.425 -0.813 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.431 8.590 -1.601 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.347 7.869 0.448 1.00 0.00 C ATOM 0 H THR A 32 -7.313 7.911 -2.779 1.00 0.00 H new ATOM 0 HA THR A 32 -7.934 5.599 -1.024 1.00 0.00 H new ATOM 0 HB THR A 32 -10.022 6.915 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.956 9.216 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.959 8.570 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.126 6.998 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.415 8.354 0.158 1.00 0.00 H new ATOM 501 N LYS A 33 -9.779 6.656 -3.584 1.00 0.00 N ATOM 502 CA LYS A 33 -10.831 6.242 -4.538 1.00 0.00 C ATOM 503 C LYS A 33 -10.297 6.133 -5.978 1.00 0.00 C ATOM 504 O LYS A 33 -11.083 6.191 -6.929 1.00 0.00 O ATOM 505 CB LYS A 33 -12.008 7.256 -4.476 1.00 0.00 C ATOM 506 CG LYS A 33 -12.572 7.537 -3.060 1.00 0.00 C ATOM 507 CD LYS A 33 -13.673 8.631 -3.064 1.00 0.00 C ATOM 508 CE LYS A 33 -13.166 9.995 -3.585 1.00 0.00 C ATOM 509 NZ LYS A 33 -14.235 11.027 -3.603 1.00 0.00 N ATOM 0 H LYS A 33 -9.592 7.659 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.178 5.250 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.675 8.199 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.818 6.885 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.982 6.616 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.759 7.847 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.506 8.298 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.058 8.755 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.344 10.338 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.767 9.871 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.846 11.923 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.009 10.714 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.599 11.167 -2.639 1.00 0.00 H new ATOM 523 N VAL A 34 -8.962 5.942 -6.114 1.00 0.00 N ATOM 524 CA VAL A 34 -8.261 5.745 -7.414 1.00 0.00 C ATOM 525 C VAL A 34 -8.246 7.042 -8.289 1.00 0.00 C ATOM 526 O VAL A 34 -9.083 7.940 -8.123 1.00 0.00 O ATOM 527 CB VAL A 34 -8.871 4.498 -8.200 1.00 0.00 C ATOM 528 CG1 VAL A 34 -8.193 4.244 -9.570 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.833 3.216 -7.322 1.00 0.00 C ATOM 0 H VAL A 34 -8.330 5.920 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.217 5.523 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.909 4.753 -8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.656 3.382 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.314 5.122 -10.204 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.131 4.049 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.254 2.380 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.801 2.990 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.417 3.378 -6.416 1.00 0.00 H new ATOM 539 N ASP A 35 -7.241 7.109 -9.188 1.00 0.00 N ATOM 540 CA ASP A 35 -7.022 8.193 -10.167 1.00 0.00 C ATOM 541 C ASP A 35 -6.667 9.526 -9.484 1.00 0.00 C ATOM 542 O ASP A 35 -7.555 10.304 -9.113 1.00 0.00 O ATOM 543 CB ASP A 35 -8.219 8.336 -11.146 1.00 0.00 C ATOM 544 CG ASP A 35 -8.066 9.502 -12.149 1.00 0.00 C ATOM 545 OD1 ASP A 35 -7.192 9.430 -13.037 1.00 0.00 O ATOM 546 OD2 ASP A 35 -8.822 10.499 -12.054 1.00 0.00 O ATOM 0 H ASP A 35 -6.532 6.379 -9.253 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.156 7.911 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.337 7.405 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.133 8.482 -10.570 1.00 0.00 H new ATOM 551 N ASP A 36 -5.351 9.736 -9.290 1.00 0.00 N ATOM 552 CA ASP A 36 -4.778 11.003 -8.799 1.00 0.00 C ATOM 553 C ASP A 36 -3.251 10.964 -8.974 1.00 0.00 C ATOM 554 O ASP A 36 -2.507 10.733 -8.008 1.00 0.00 O ATOM 555 CB ASP A 36 -5.179 11.297 -7.322 1.00 0.00 C ATOM 556 CG ASP A 36 -4.602 12.629 -6.792 1.00 0.00 C ATOM 557 OD1 ASP A 36 -5.051 13.707 -7.245 1.00 0.00 O ATOM 558 OD2 ASP A 36 -3.710 12.602 -5.917 1.00 0.00 O ATOM 0 H ASP A 36 -4.647 9.021 -9.472 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.187 11.823 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.266 11.322 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.833 10.480 -6.688 1.00 0.00 H new ATOM 563 N SER A 37 -2.810 11.108 -10.248 1.00 0.00 N ATOM 564 CA SER A 37 -1.380 11.137 -10.661 1.00 0.00 C ATOM 565 C SER A 37 -0.549 9.992 -10.012 1.00 0.00 C ATOM 566 O SER A 37 0.561 10.208 -9.505 1.00 0.00 O ATOM 567 CB SER A 37 -0.761 12.545 -10.393 1.00 0.00 C ATOM 568 OG SER A 37 -0.860 12.932 -9.026 1.00 0.00 O ATOM 0 H SER A 37 -3.450 11.210 -11.036 1.00 0.00 H new ATOM 0 HA SER A 37 -1.343 10.955 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.287 12.540 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.266 13.285 -11.014 1.00 0.00 H new ATOM 0 HG SER A 37 -0.458 13.818 -8.907 1.00 0.00 H new ATOM 574 N GLN A 38 -1.107 8.771 -10.060 1.00 0.00 N ATOM 575 CA GLN A 38 -0.533 7.577 -9.415 1.00 0.00 C ATOM 576 C GLN A 38 -0.570 6.398 -10.406 1.00 0.00 C ATOM 577 O GLN A 38 -1.638 6.105 -10.955 1.00 0.00 O ATOM 578 CB GLN A 38 -1.280 7.270 -8.069 1.00 0.00 C ATOM 579 CG GLN A 38 -2.827 7.470 -8.097 1.00 0.00 C ATOM 580 CD GLN A 38 -3.653 6.210 -8.317 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.653 6.233 -9.013 1.00 0.00 O ATOM 582 NE2 GLN A 38 -3.293 5.114 -7.679 1.00 0.00 N ATOM 0 H GLN A 38 -1.980 8.582 -10.553 1.00 0.00 H new ATOM 0 HA GLN A 38 0.510 7.754 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.070 6.239 -7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.863 7.907 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.133 7.923 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.068 8.183 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.453 5.113 -7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.855 4.267 -7.764 1.00 0.00 H new ATOM 591 N PRO A 39 0.618 5.736 -10.681 1.00 0.00 N ATOM 592 CA PRO A 39 0.745 4.622 -11.665 1.00 0.00 C ATOM 593 C PRO A 39 -0.282 3.489 -11.480 1.00 0.00 C ATOM 594 O PRO A 39 -0.769 3.267 -10.365 1.00 0.00 O ATOM 595 CB PRO A 39 2.185 4.097 -11.428 1.00 0.00 C ATOM 596 CG PRO A 39 2.936 5.281 -10.906 1.00 0.00 C ATOM 597 CD PRO A 39 1.942 6.063 -10.069 1.00 0.00 C ATOM 0 HA PRO A 39 0.553 4.977 -12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.195 3.274 -10.713 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.627 3.722 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.792 4.969 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.324 5.890 -11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.982 5.766 -9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.145 7.133 -10.105 1.00 0.00 H new ATOM 605 N ALA A 40 -0.558 2.765 -12.585 1.00 0.00 N ATOM 606 CA ALA A 40 -1.535 1.650 -12.634 1.00 0.00 C ATOM 607 C ALA A 40 -1.281 0.592 -11.537 1.00 0.00 C ATOM 608 O ALA A 40 -2.216 0.021 -10.992 1.00 0.00 O ATOM 609 CB ALA A 40 -1.504 0.992 -14.023 1.00 0.00 C ATOM 0 H ALA A 40 -0.104 2.939 -13.482 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.522 2.073 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.223 0.174 -14.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.762 1.731 -14.782 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.504 0.604 -14.220 1.00 0.00 H new ATOM 615 N PHE A 41 -0.002 0.400 -11.201 1.00 0.00 N ATOM 616 CA PHE A 41 0.447 -0.538 -10.150 1.00 0.00 C ATOM 617 C PHE A 41 -0.135 -0.159 -8.765 1.00 0.00 C ATOM 618 O PHE A 41 -0.567 -1.024 -7.997 1.00 0.00 O ATOM 619 CB PHE A 41 1.994 -0.536 -10.098 1.00 0.00 C ATOM 620 CG PHE A 41 2.660 -0.755 -11.455 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.658 -2.010 -12.051 1.00 0.00 C ATOM 622 CD2 PHE A 41 3.276 0.299 -12.137 1.00 0.00 C ATOM 623 CE1 PHE A 41 3.243 -2.208 -13.284 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.864 0.097 -13.370 1.00 0.00 C ATOM 625 CZ PHE A 41 3.847 -1.157 -13.943 1.00 0.00 C ATOM 0 H PHE A 41 0.766 0.895 -11.653 1.00 0.00 H new ATOM 0 HA PHE A 41 0.084 -1.536 -10.396 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.333 0.415 -9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.326 -1.315 -9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.192 -2.841 -11.542 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.292 1.284 -11.694 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.228 -3.189 -13.735 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.337 0.920 -13.885 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.306 -1.317 -14.907 1.00 0.00 H new ATOM 635 N ILE A 42 -0.157 1.159 -8.489 1.00 0.00 N ATOM 636 CA ILE A 42 -0.710 1.729 -7.241 1.00 0.00 C ATOM 637 C ILE A 42 -2.257 1.601 -7.238 1.00 0.00 C ATOM 638 O ILE A 42 -2.878 1.470 -6.177 1.00 0.00 O ATOM 639 CB ILE A 42 -0.263 3.242 -7.080 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.294 3.385 -7.218 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.757 3.852 -5.740 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.104 2.613 -6.186 1.00 0.00 C ATOM 0 H ILE A 42 0.210 1.864 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.318 1.170 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.732 3.805 -7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.588 3.051 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.555 4.441 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.429 4.889 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.846 3.812 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.343 3.284 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.167 2.774 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.846 2.962 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.880 1.550 -6.269 1.00 0.00 H new ATOM 654 N ASN A 43 -2.860 1.581 -8.455 1.00 0.00 N ATOM 655 CA ASN A 43 -4.318 1.410 -8.636 1.00 0.00 C ATOM 656 C ASN A 43 -4.741 -0.028 -8.266 1.00 0.00 C ATOM 657 O ASN A 43 -5.837 -0.243 -7.732 1.00 0.00 O ATOM 658 CB ASN A 43 -4.748 1.720 -10.106 1.00 0.00 C ATOM 659 CG ASN A 43 -4.563 3.176 -10.553 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.389 3.722 -11.282 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.460 3.800 -10.187 1.00 0.00 N ATOM 0 H ASN A 43 -2.349 1.683 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.818 2.117 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.178 1.077 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.798 1.452 -10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.281 4.751 -10.509 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.786 3.331 -9.582 1.00 0.00 H new ATOM 668 N ASP A 44 -3.852 -1.001 -8.559 1.00 0.00 N ATOM 669 CA ASP A 44 -4.045 -2.419 -8.195 1.00 0.00 C ATOM 670 C ASP A 44 -4.056 -2.601 -6.678 1.00 0.00 C ATOM 671 O ASP A 44 -4.907 -3.314 -6.161 1.00 0.00 O ATOM 672 CB ASP A 44 -2.946 -3.310 -8.828 1.00 0.00 C ATOM 673 CG ASP A 44 -3.187 -3.581 -10.319 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.152 -2.631 -11.111 1.00 0.00 O ATOM 675 OD2 ASP A 44 -3.430 -4.748 -10.702 1.00 0.00 O ATOM 0 H ASP A 44 -2.979 -0.824 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.013 -2.729 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.977 -2.828 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.901 -4.259 -8.293 1.00 0.00 H new ATOM 680 N ILE A 45 -3.116 -1.930 -5.971 1.00 0.00 N ATOM 681 CA ILE A 45 -3.046 -1.982 -4.487 1.00 0.00 C ATOM 682 C ILE A 45 -4.356 -1.443 -3.867 1.00 0.00 C ATOM 683 O ILE A 45 -4.860 -1.981 -2.880 1.00 0.00 O ATOM 684 CB ILE A 45 -1.811 -1.194 -3.908 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.481 -1.663 -4.579 1.00 0.00 C ATOM 686 CG2 ILE A 45 -1.727 -1.333 -2.357 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.760 -0.874 -4.168 1.00 0.00 C ATOM 0 H ILE A 45 -2.397 -1.348 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.915 -3.029 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.955 -0.139 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.321 -2.714 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.594 -1.597 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.864 -0.778 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.635 -0.933 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.622 -2.385 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.633 -1.273 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.629 0.175 -4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.906 -0.960 -3.091 1.00 0.00 H new ATOM 699 N LEU A 46 -4.910 -0.401 -4.502 1.00 0.00 N ATOM 700 CA LEU A 46 -6.229 0.163 -4.149 1.00 0.00 C ATOM 701 C LEU A 46 -7.378 -0.844 -4.372 1.00 0.00 C ATOM 702 O LEU A 46 -8.379 -0.813 -3.648 1.00 0.00 O ATOM 703 CB LEU A 46 -6.464 1.472 -4.945 1.00 0.00 C ATOM 704 CG LEU A 46 -5.565 2.665 -4.499 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.674 3.883 -5.442 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.890 3.054 -3.043 1.00 0.00 C ATOM 0 H LEU A 46 -4.457 0.080 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.225 0.388 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.289 1.276 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.510 1.762 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.529 2.332 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.026 4.682 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.367 3.594 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.705 4.235 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.257 3.888 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.937 3.347 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.705 2.202 -2.389 1.00 0.00 H new ATOM 718 N LYS A 47 -7.241 -1.690 -5.411 1.00 0.00 N ATOM 719 CA LYS A 47 -8.222 -2.754 -5.744 1.00 0.00 C ATOM 720 C LYS A 47 -7.938 -4.078 -4.996 1.00 0.00 C ATOM 721 O LYS A 47 -8.667 -5.062 -5.194 1.00 0.00 O ATOM 722 CB LYS A 47 -8.277 -2.972 -7.300 1.00 0.00 C ATOM 723 CG LYS A 47 -9.569 -2.442 -7.972 1.00 0.00 C ATOM 724 CD LYS A 47 -9.879 -0.974 -7.597 1.00 0.00 C ATOM 725 CE LYS A 47 -11.111 -0.417 -8.322 1.00 0.00 C ATOM 726 NZ LYS A 47 -11.375 0.997 -7.955 1.00 0.00 N ATOM 0 H LYS A 47 -6.445 -1.659 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.201 -2.418 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.417 -2.481 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.183 -4.038 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.470 -2.523 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.409 -3.072 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.036 -0.905 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.014 -0.354 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.963 -0.491 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.982 -1.025 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.397 1.135 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.873 1.227 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.041 1.621 -8.717 1.00 0.00 H new ATOM 740 N VAL A 48 -6.887 -4.114 -4.154 1.00 0.00 N ATOM 741 CA VAL A 48 -6.635 -5.266 -3.270 1.00 0.00 C ATOM 742 C VAL A 48 -7.680 -5.279 -2.142 1.00 0.00 C ATOM 743 O VAL A 48 -7.890 -4.263 -1.468 1.00 0.00 O ATOM 744 CB VAL A 48 -5.176 -5.273 -2.679 1.00 0.00 C ATOM 745 CG1 VAL A 48 -4.952 -6.447 -1.696 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.129 -5.313 -3.809 1.00 0.00 C ATOM 0 H VAL A 48 -6.203 -3.362 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.725 -6.172 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.054 -4.347 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.932 -6.412 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.654 -6.366 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.112 -7.392 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.128 -5.317 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.271 -6.215 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.246 -4.436 -4.445 1.00 0.00 H new ATOM 756 N GLU A 49 -8.343 -6.428 -1.986 1.00 0.00 N ATOM 757 CA GLU A 49 -9.393 -6.642 -0.984 1.00 0.00 C ATOM 758 C GLU A 49 -8.869 -6.377 0.446 1.00 0.00 C ATOM 759 O GLU A 49 -7.770 -6.823 0.822 1.00 0.00 O ATOM 760 CB GLU A 49 -10.018 -8.065 -1.104 1.00 0.00 C ATOM 761 CG GLU A 49 -9.048 -9.266 -0.970 1.00 0.00 C ATOM 762 CD GLU A 49 -8.099 -9.457 -2.172 1.00 0.00 C ATOM 763 OE1 GLU A 49 -8.565 -9.864 -3.258 1.00 0.00 O ATOM 764 OE2 GLU A 49 -6.888 -9.182 -2.050 1.00 0.00 O ATOM 0 H GLU A 49 -8.163 -7.250 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.185 -5.920 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.789 -8.163 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.517 -8.137 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.450 -9.135 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.633 -10.176 -0.836 1.00 0.00 H new ATOM 771 N GLY A 50 -9.659 -5.606 1.204 1.00 0.00 N ATOM 772 CA GLY A 50 -9.272 -5.132 2.528 1.00 0.00 C ATOM 773 C GLY A 50 -8.850 -3.668 2.499 1.00 0.00 C ATOM 774 O GLY A 50 -9.326 -2.876 3.318 1.00 0.00 O ATOM 0 H GLY A 50 -10.585 -5.296 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.106 -5.257 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.451 -5.740 2.907 1.00 0.00 H new ATOM 778 N VAL A 51 -7.982 -3.318 1.516 1.00 0.00 N ATOM 779 CA VAL A 51 -7.313 -1.990 1.420 1.00 0.00 C ATOM 780 C VAL A 51 -8.326 -0.837 1.204 1.00 0.00 C ATOM 781 O VAL A 51 -9.261 -0.946 0.399 1.00 0.00 O ATOM 782 CB VAL A 51 -6.207 -1.973 0.289 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.488 -0.594 0.187 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.170 -3.106 0.512 1.00 0.00 C ATOM 0 H VAL A 51 -7.723 -3.953 0.761 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.823 -1.824 2.379 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.720 -2.145 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.738 -0.632 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.219 0.181 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.004 -0.365 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.420 -3.074 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.685 -2.970 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.676 -4.071 0.493 1.00 0.00 H new ATOM 794 N LYS A 52 -8.109 0.256 1.953 1.00 0.00 N ATOM 795 CA LYS A 52 -8.971 1.446 1.970 1.00 0.00 C ATOM 796 C LYS A 52 -8.222 2.649 1.375 1.00 0.00 C ATOM 797 O LYS A 52 -8.765 3.379 0.532 1.00 0.00 O ATOM 798 CB LYS A 52 -9.401 1.741 3.436 1.00 0.00 C ATOM 799 CG LYS A 52 -10.253 3.015 3.634 1.00 0.00 C ATOM 800 CD LYS A 52 -10.679 3.239 5.108 1.00 0.00 C ATOM 801 CE LYS A 52 -9.485 3.348 6.082 1.00 0.00 C ATOM 802 NZ LYS A 52 -8.588 4.490 5.754 1.00 0.00 N ATOM 0 H LYS A 52 -7.308 0.337 2.579 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.859 1.265 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.964 0.886 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.504 1.825 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.687 3.881 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.145 2.949 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.275 4.150 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.321 2.416 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.859 3.464 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.913 2.421 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.882 4.605 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.104 4.303 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.151 5.361 5.671 1.00 0.00 H new ATOM 816 N SER A 53 -6.967 2.846 1.824 1.00 0.00 N ATOM 817 CA SER A 53 -6.162 4.021 1.453 1.00 0.00 C ATOM 818 C SER A 53 -4.668 3.658 1.354 1.00 0.00 C ATOM 819 O SER A 53 -4.207 2.672 1.942 1.00 0.00 O ATOM 820 CB SER A 53 -6.360 5.155 2.495 1.00 0.00 C ATOM 821 OG SER A 53 -7.737 5.398 2.756 1.00 0.00 O ATOM 0 H SER A 53 -6.488 2.199 2.450 1.00 0.00 H new ATOM 0 HA SER A 53 -6.498 4.367 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.856 4.887 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.892 6.069 2.130 1.00 0.00 H new ATOM 0 HG SER A 53 -7.823 6.116 3.417 1.00 0.00 H new ATOM 827 N ILE A 54 -3.938 4.482 0.598 1.00 0.00 N ATOM 828 CA ILE A 54 -2.483 4.439 0.463 1.00 0.00 C ATOM 829 C ILE A 54 -1.982 5.827 0.872 1.00 0.00 C ATOM 830 O ILE A 54 -1.817 6.727 0.032 1.00 0.00 O ATOM 831 CB ILE A 54 -2.053 4.070 -1.018 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.543 2.639 -1.390 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.523 4.201 -1.246 1.00 0.00 C ATOM 834 CD1 ILE A 54 -2.251 2.234 -2.822 1.00 0.00 C ATOM 0 H ILE A 54 -4.362 5.225 0.043 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.046 3.666 1.095 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.534 4.793 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.073 1.920 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.618 2.580 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.285 3.936 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.213 5.228 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.005 3.530 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.624 1.225 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.743 2.927 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.175 2.258 -2.995 1.00 0.00 H new ATOM 846 N PHE A 55 -1.843 6.027 2.193 1.00 0.00 N ATOM 847 CA PHE A 55 -1.405 7.305 2.746 1.00 0.00 C ATOM 848 C PHE A 55 0.123 7.359 2.687 1.00 0.00 C ATOM 849 O PHE A 55 0.816 6.990 3.630 1.00 0.00 O ATOM 850 CB PHE A 55 -1.945 7.502 4.192 1.00 0.00 C ATOM 851 CG PHE A 55 -1.563 8.835 4.846 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.829 10.045 4.207 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.951 8.880 6.099 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.495 11.251 4.788 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.617 10.087 6.681 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.889 11.272 6.025 1.00 0.00 C ATOM 0 H PHE A 55 -2.030 5.311 2.895 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.810 8.127 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.032 7.421 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.576 6.688 4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.306 10.038 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.736 7.959 6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.708 12.177 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.142 10.105 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.627 12.215 6.482 1.00 0.00 H new ATOM 866 N HIS A 56 0.637 7.839 1.546 1.00 0.00 N ATOM 867 CA HIS A 56 2.068 7.957 1.307 1.00 0.00 C ATOM 868 C HIS A 56 2.536 9.277 1.910 1.00 0.00 C ATOM 869 O HIS A 56 2.522 10.307 1.247 1.00 0.00 O ATOM 870 CB HIS A 56 2.394 7.864 -0.209 1.00 0.00 C ATOM 871 CG HIS A 56 3.843 8.160 -0.547 1.00 0.00 C ATOM 872 ND1 HIS A 56 4.207 8.875 -1.659 1.00 0.00 N ATOM 873 CD2 HIS A 56 5.008 7.875 0.105 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.509 9.025 -1.678 1.00 0.00 C ATOM 875 NE2 HIS A 56 6.029 8.432 -0.623 1.00 0.00 N ATOM 0 H HIS A 56 0.063 8.156 0.765 1.00 0.00 H new ATOM 0 HA HIS A 56 2.599 7.132 1.781 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.146 6.863 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.755 8.561 -0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.108 7.315 1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.067 9.551 -2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.021 8.393 -0.388 1.00 0.00 H new ATOM 884 N VAL A 57 2.891 9.225 3.192 1.00 0.00 N ATOM 885 CA VAL A 57 3.377 10.386 3.938 1.00 0.00 C ATOM 886 C VAL A 57 4.913 10.442 3.868 1.00 0.00 C ATOM 887 O VAL A 57 5.606 9.608 4.459 1.00 0.00 O ATOM 888 CB VAL A 57 2.839 10.394 5.427 1.00 0.00 C ATOM 889 CG1 VAL A 57 2.886 8.986 6.062 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.573 11.444 6.309 1.00 0.00 C ATOM 0 H VAL A 57 2.850 8.370 3.747 1.00 0.00 H new ATOM 0 HA VAL A 57 2.984 11.291 3.475 1.00 0.00 H new ATOM 0 HB VAL A 57 1.792 10.694 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.509 9.035 7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.268 8.303 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.915 8.626 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.171 11.413 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.639 11.216 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.425 12.439 5.890 1.00 0.00 H new ATOM 900 N MET A 58 5.404 11.393 3.054 1.00 0.00 N ATOM 901 CA MET A 58 6.824 11.757 2.946 1.00 0.00 C ATOM 902 C MET A 58 7.662 10.588 2.367 1.00 0.00 C ATOM 903 O MET A 58 7.743 10.419 1.150 1.00 0.00 O ATOM 904 CB MET A 58 7.376 12.265 4.324 1.00 0.00 C ATOM 905 CG MET A 58 8.735 12.974 4.261 1.00 0.00 C ATOM 906 SD MET A 58 8.637 14.583 3.439 1.00 0.00 S ATOM 907 CE MET A 58 7.544 15.499 4.532 1.00 0.00 C ATOM 0 H MET A 58 4.806 11.943 2.437 1.00 0.00 H new ATOM 0 HA MET A 58 6.914 12.583 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.647 12.949 4.760 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.459 11.414 5.000 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.119 13.109 5.272 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.447 12.341 3.731 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.698 16.568 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.508 15.248 4.304 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.762 15.237 5.567 1.00 0.00 H new ATOM 917 N ASP A 59 8.201 9.731 3.251 1.00 0.00 N ATOM 918 CA ASP A 59 9.180 8.682 2.887 1.00 0.00 C ATOM 919 C ASP A 59 8.628 7.272 3.135 1.00 0.00 C ATOM 920 O ASP A 59 9.259 6.273 2.753 1.00 0.00 O ATOM 921 CB ASP A 59 10.484 8.902 3.696 1.00 0.00 C ATOM 922 CG ASP A 59 10.286 8.821 5.225 1.00 0.00 C ATOM 923 OD1 ASP A 59 9.842 9.817 5.834 1.00 0.00 O ATOM 924 OD2 ASP A 59 10.567 7.757 5.827 1.00 0.00 O ATOM 0 H ASP A 59 7.971 9.743 4.245 1.00 0.00 H new ATOM 0 HA ASP A 59 9.387 8.761 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.219 8.156 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.898 9.878 3.443 1.00 0.00 H new ATOM 929 N PHE A 60 7.446 7.200 3.769 1.00 0.00 N ATOM 930 CA PHE A 60 6.829 5.930 4.172 1.00 0.00 C ATOM 931 C PHE A 60 5.344 5.894 3.789 1.00 0.00 C ATOM 932 O PHE A 60 4.616 6.884 3.949 1.00 0.00 O ATOM 933 CB PHE A 60 7.029 5.672 5.694 1.00 0.00 C ATOM 934 CG PHE A 60 6.476 6.743 6.652 1.00 0.00 C ATOM 935 CD1 PHE A 60 7.065 8.004 6.732 1.00 0.00 C ATOM 936 CD2 PHE A 60 5.387 6.483 7.491 1.00 0.00 C ATOM 937 CE1 PHE A 60 6.588 8.967 7.601 1.00 0.00 C ATOM 938 CE2 PHE A 60 4.913 7.444 8.366 1.00 0.00 C ATOM 939 CZ PHE A 60 5.515 8.687 8.421 1.00 0.00 C ATOM 0 H PHE A 60 6.893 8.021 4.015 1.00 0.00 H new ATOM 0 HA PHE A 60 7.328 5.126 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.562 4.719 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.097 5.563 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.912 8.233 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.908 5.516 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.056 9.940 7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.072 7.223 9.007 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.146 9.437 9.105 1.00 0.00 H new ATOM 949 N ILE A 61 4.912 4.743 3.254 1.00 0.00 N ATOM 950 CA ILE A 61 3.530 4.518 2.839 1.00 0.00 C ATOM 951 C ILE A 61 2.747 3.849 3.979 1.00 0.00 C ATOM 952 O ILE A 61 2.940 2.663 4.270 1.00 0.00 O ATOM 953 CB ILE A 61 3.445 3.624 1.546 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.326 4.204 0.391 1.00 0.00 C ATOM 955 CG2 ILE A 61 1.974 3.458 1.096 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.298 3.397 -0.907 1.00 0.00 C ATOM 0 H ILE A 61 5.521 3.939 3.098 1.00 0.00 H new ATOM 0 HA ILE A 61 3.093 5.489 2.605 1.00 0.00 H new ATOM 0 HB ILE A 61 3.840 2.639 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.996 5.220 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.357 4.270 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.935 2.837 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.401 2.983 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.548 4.437 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.938 3.877 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.659 2.387 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.277 3.351 -1.285 1.00 0.00 H new ATOM 968 N SER A 62 1.881 4.628 4.618 1.00 0.00 N ATOM 969 CA SER A 62 0.938 4.139 5.615 1.00 0.00 C ATOM 970 C SER A 62 -0.283 3.553 4.865 1.00 0.00 C ATOM 971 O SER A 62 -1.206 4.277 4.497 1.00 0.00 O ATOM 972 CB SER A 62 0.543 5.305 6.567 1.00 0.00 C ATOM 973 OG SER A 62 -0.157 4.856 7.718 1.00 0.00 O ATOM 0 H SER A 62 1.814 5.633 4.455 1.00 0.00 H new ATOM 0 HA SER A 62 1.376 3.355 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.443 5.836 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.077 6.018 6.024 1.00 0.00 H new ATOM 0 HG SER A 62 -0.381 5.624 8.284 1.00 0.00 H new ATOM 979 N VAL A 63 -0.225 2.235 4.569 1.00 0.00 N ATOM 980 CA VAL A 63 -1.283 1.528 3.818 1.00 0.00 C ATOM 981 C VAL A 63 -2.461 1.217 4.754 1.00 0.00 C ATOM 982 O VAL A 63 -2.408 0.255 5.529 1.00 0.00 O ATOM 983 CB VAL A 63 -0.758 0.190 3.157 1.00 0.00 C ATOM 984 CG1 VAL A 63 -1.866 -0.509 2.312 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.519 0.434 2.316 1.00 0.00 C ATOM 0 H VAL A 63 0.553 1.635 4.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.607 2.185 3.011 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.493 -0.486 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.467 -1.424 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.713 -0.753 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.194 0.161 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.851 -0.507 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.301 1.148 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.306 0.833 2.956 1.00 0.00 H new ATOM 995 N ASP A 64 -3.495 2.071 4.700 1.00 0.00 N ATOM 996 CA ASP A 64 -4.721 1.912 5.495 1.00 0.00 C ATOM 997 C ASP A 64 -5.649 0.881 4.851 1.00 0.00 C ATOM 998 O ASP A 64 -5.672 0.726 3.624 1.00 0.00 O ATOM 999 CB ASP A 64 -5.483 3.251 5.629 1.00 0.00 C ATOM 1000 CG ASP A 64 -4.712 4.373 6.339 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -3.749 4.906 5.756 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.098 4.762 7.462 1.00 0.00 O ATOM 0 H ASP A 64 -3.503 2.896 4.100 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.420 1.572 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.758 3.595 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.411 3.070 6.171 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.425 0.204 5.694 1.00 0.00 N ATOM 1008 CA LYS A 65 -7.444 -0.748 5.269 1.00 0.00 C ATOM 1009 C LYS A 65 -8.548 -0.818 6.343 1.00 0.00 C ATOM 1010 O LYS A 65 -8.717 0.122 7.136 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.805 -2.144 5.012 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.141 -2.805 6.240 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.278 -4.335 6.259 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.761 -5.015 4.982 1.00 0.00 C ATOM 1015 NZ LYS A 65 -5.795 -6.487 5.114 1.00 0.00 N ATOM 0 H LYS A 65 -6.361 0.304 6.707 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.892 -0.419 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.577 -2.814 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.057 -2.043 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.083 -2.542 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.585 -2.397 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.733 -4.730 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.327 -4.596 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.369 -4.709 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.741 -4.688 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.823 -6.856 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.288 -6.745 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.298 -6.897 4.301 1.00 0.00 H new ATOM 1029 N GLU A 66 -9.319 -1.922 6.328 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.252 -2.297 7.411 1.00 0.00 C ATOM 1031 C GLU A 66 -9.513 -2.572 8.741 1.00 0.00 C ATOM 1032 O GLU A 66 -8.297 -2.384 8.846 1.00 0.00 O ATOM 1033 CB GLU A 66 -11.074 -3.543 6.970 1.00 0.00 C ATOM 1034 CG GLU A 66 -11.961 -3.313 5.731 1.00 0.00 C ATOM 1035 CD GLU A 66 -13.000 -2.187 5.921 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -14.109 -2.464 6.435 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -12.710 -1.018 5.565 1.00 0.00 O ATOM 0 H GLU A 66 -9.312 -2.587 5.555 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.925 -1.458 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.386 -4.362 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.705 -3.859 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.326 -3.071 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.481 -4.240 5.488 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.277 -3.003 9.757 1.00 0.00 N ATOM 1045 CA ASN A 67 -9.749 -3.386 11.081 1.00 0.00 C ATOM 1046 C ASN A 67 -8.584 -4.404 10.965 1.00 0.00 C ATOM 1047 O ASN A 67 -7.542 -4.244 11.617 1.00 0.00 O ATOM 1048 CB ASN A 67 -10.906 -3.927 11.976 1.00 0.00 C ATOM 1049 CG ASN A 67 -11.696 -5.102 11.366 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -11.825 -5.234 10.147 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -12.255 -5.955 12.209 1.00 0.00 N ATOM 0 H ASN A 67 -11.290 -3.097 9.684 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.333 -2.498 11.556 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.490 -4.244 12.932 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.598 -3.111 12.185 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.804 -6.738 11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.137 -5.830 13.214 1.00 0.00 H new ATOM 1058 N ASP A 68 -8.755 -5.405 10.084 1.00 0.00 N ATOM 1059 CA ASP A 68 -7.709 -6.394 9.765 1.00 0.00 C ATOM 1060 C ASP A 68 -7.980 -7.040 8.401 1.00 0.00 C ATOM 1061 O ASP A 68 -7.064 -7.134 7.568 1.00 0.00 O ATOM 1062 CB ASP A 68 -7.576 -7.484 10.877 1.00 0.00 C ATOM 1063 CG ASP A 68 -8.868 -8.269 11.168 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -9.752 -7.735 11.861 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -9.017 -9.412 10.696 1.00 0.00 O ATOM 0 H ASP A 68 -9.625 -5.552 9.571 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.759 -5.862 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.797 -8.188 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.243 -7.005 11.798 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.251 -7.457 8.184 1.00 0.00 N ATOM 1071 CA ALA A 69 -9.662 -8.287 7.036 1.00 0.00 C ATOM 1072 C ALA A 69 -8.740 -9.531 6.951 1.00 0.00 C ATOM 1073 O ALA A 69 -8.966 -10.514 7.658 1.00 0.00 O ATOM 1074 CB ALA A 69 -9.711 -7.459 5.728 1.00 0.00 C ATOM 0 H ALA A 69 -10.023 -7.222 8.809 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.681 -8.644 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.017 -8.101 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.427 -6.645 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.723 -7.048 5.521 1.00 0.00 H new ATOM 1080 N ASN A 70 -7.702 -9.461 6.093 1.00 0.00 N ATOM 1081 CA ASN A 70 -6.511 -10.322 6.158 1.00 0.00 C ATOM 1082 C ASN A 70 -5.373 -9.610 5.401 1.00 0.00 C ATOM 1083 O ASN A 70 -5.571 -9.151 4.267 1.00 0.00 O ATOM 1084 CB ASN A 70 -6.773 -11.744 5.574 1.00 0.00 C ATOM 1085 CG ASN A 70 -7.235 -11.747 4.113 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.900 -10.818 3.651 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -6.888 -12.788 3.375 1.00 0.00 N ATOM 0 H ASN A 70 -7.671 -8.792 5.324 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.237 -10.477 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.859 -12.332 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.528 -12.241 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.171 -12.836 2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.337 -13.542 3.784 1.00 0.00 H new ATOM 1094 N TRP A 71 -4.206 -9.448 6.038 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.988 -8.958 5.353 1.00 0.00 C ATOM 1096 C TRP A 71 -2.306 -10.109 4.586 1.00 0.00 C ATOM 1097 O TRP A 71 -1.443 -9.857 3.739 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.999 -8.308 6.354 1.00 0.00 C ATOM 1099 CG TRP A 71 -2.431 -6.953 6.888 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -3.088 -6.690 8.058 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -2.224 -5.673 6.258 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -3.262 -5.335 8.210 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.738 -4.691 7.118 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.635 -5.270 5.057 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.684 -3.329 6.813 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -1.590 -3.925 4.753 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.109 -2.968 5.629 1.00 0.00 C ATOM 0 H TRP A 71 -4.073 -9.648 7.029 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.289 -8.190 4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.858 -8.986 7.196 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.030 -8.199 5.867 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.422 -7.439 8.761 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.709 -4.881 9.007 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.221 -6.000 4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -3.083 -2.588 7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.146 -3.606 3.822 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.054 -1.922 5.364 1.00 0.00 H new ATOM 1118 N GLU A 72 -2.733 -11.362 4.887 1.00 0.00 N ATOM 1119 CA GLU A 72 -2.261 -12.589 4.213 1.00 0.00 C ATOM 1120 C GLU A 72 -2.353 -12.472 2.674 1.00 0.00 C ATOM 1121 O GLU A 72 -1.412 -12.830 1.960 1.00 0.00 O ATOM 1122 CB GLU A 72 -3.088 -13.812 4.703 1.00 0.00 C ATOM 1123 CG GLU A 72 -2.681 -15.161 4.060 1.00 0.00 C ATOM 1124 CD GLU A 72 -3.563 -16.339 4.498 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -4.667 -16.499 3.948 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -3.158 -17.111 5.388 1.00 0.00 O ATOM 0 H GLU A 72 -3.424 -11.546 5.615 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.211 -12.727 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.985 -13.894 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.142 -13.628 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.728 -15.066 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.644 -15.379 4.317 1.00 0.00 H new ATOM 1133 N THR A 73 -3.497 -11.958 2.184 1.00 0.00 N ATOM 1134 CA THR A 73 -3.721 -11.741 0.747 1.00 0.00 C ATOM 1135 C THR A 73 -2.947 -10.502 0.258 1.00 0.00 C ATOM 1136 O THR A 73 -2.321 -10.542 -0.792 1.00 0.00 O ATOM 1137 CB THR A 73 -5.248 -11.623 0.397 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.422 -11.591 -1.030 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.926 -10.383 1.025 1.00 0.00 C ATOM 0 H THR A 73 -4.285 -11.684 2.771 1.00 0.00 H new ATOM 0 HA THR A 73 -3.341 -12.618 0.223 1.00 0.00 H new ATOM 0 HB THR A 73 -5.732 -12.502 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.963 -10.812 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.979 -10.362 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.841 -10.433 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.436 -9.479 0.664 1.00 0.00 H new ATOM 1147 N VAL A 74 -2.968 -9.431 1.075 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.551 -8.079 0.668 1.00 0.00 C ATOM 1149 C VAL A 74 -1.055 -7.984 0.304 1.00 0.00 C ATOM 1150 O VAL A 74 -0.726 -7.489 -0.778 1.00 0.00 O ATOM 1151 CB VAL A 74 -2.932 -7.019 1.773 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.454 -5.591 1.407 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.459 -7.027 2.031 1.00 0.00 C ATOM 0 H VAL A 74 -3.278 -9.483 2.045 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.100 -7.851 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.414 -7.309 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.740 -4.898 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.370 -5.588 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.916 -5.282 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.703 -6.290 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.985 -6.781 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.766 -8.016 2.370 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.171 -8.482 1.196 1.00 0.00 N ATOM 1164 CA LEU A 75 1.305 -8.357 1.027 1.00 0.00 C ATOM 1165 C LEU A 75 1.814 -8.904 -0.344 1.00 0.00 C ATOM 1166 O LEU A 75 2.540 -8.177 -1.016 1.00 0.00 O ATOM 1167 CB LEU A 75 2.093 -8.983 2.230 1.00 0.00 C ATOM 1168 CG LEU A 75 2.289 -8.062 3.483 1.00 0.00 C ATOM 1169 CD1 LEU A 75 0.943 -7.616 4.080 1.00 0.00 C ATOM 1170 CD2 LEU A 75 3.182 -8.735 4.559 1.00 0.00 C ATOM 0 H LEU A 75 -0.449 -8.976 2.044 1.00 0.00 H new ATOM 0 HA LEU A 75 1.513 -7.287 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.573 -9.887 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.076 -9.290 1.873 1.00 0.00 H new ATOM 0 HG LEU A 75 2.808 -7.168 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.122 -6.979 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.379 -7.059 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.372 -8.493 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.293 -8.064 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.718 -9.665 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.163 -8.949 4.135 1.00 0.00 H new ATOM 1182 N PRO A 76 1.453 -10.163 -0.793 1.00 0.00 N ATOM 1183 CA PRO A 76 1.796 -10.666 -2.155 1.00 0.00 C ATOM 1184 C PRO A 76 1.573 -9.642 -3.305 1.00 0.00 C ATOM 1185 O PRO A 76 2.405 -9.533 -4.208 1.00 0.00 O ATOM 1186 CB PRO A 76 0.846 -11.872 -2.308 1.00 0.00 C ATOM 1187 CG PRO A 76 0.720 -12.427 -0.922 1.00 0.00 C ATOM 1188 CD PRO A 76 0.751 -11.225 0.001 1.00 0.00 C ATOM 0 HA PRO A 76 2.859 -10.896 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.123 -11.567 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.252 -12.613 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.208 -12.986 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.536 -13.114 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.255 -10.912 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.284 -11.447 0.925 1.00 0.00 H new ATOM 1196 N LYS A 77 0.458 -8.890 -3.242 1.00 0.00 N ATOM 1197 CA LYS A 77 0.082 -7.913 -4.296 1.00 0.00 C ATOM 1198 C LYS A 77 0.933 -6.627 -4.184 1.00 0.00 C ATOM 1199 O LYS A 77 1.459 -6.127 -5.189 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.423 -7.532 -4.210 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.445 -8.624 -4.640 1.00 0.00 C ATOM 1202 CD LYS A 77 -2.481 -9.861 -3.711 1.00 0.00 C ATOM 1203 CE LYS A 77 -3.612 -10.856 -4.042 1.00 0.00 C ATOM 1204 NZ LYS A 77 -4.963 -10.272 -3.830 1.00 0.00 N ATOM 0 H LYS A 77 -0.206 -8.937 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 77 0.271 -8.394 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.643 -7.245 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.587 -6.650 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.440 -8.181 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.206 -8.951 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.524 -10.379 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.595 -9.526 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.517 -11.177 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.503 -11.745 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.686 -11.000 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.043 -9.927 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.106 -9.480 -4.489 1.00 0.00 H new ATOM 1218 N VAL A 78 1.056 -6.114 -2.943 1.00 0.00 N ATOM 1219 CA VAL A 78 1.747 -4.838 -2.647 1.00 0.00 C ATOM 1220 C VAL A 78 3.239 -4.937 -2.984 1.00 0.00 C ATOM 1221 O VAL A 78 3.764 -4.127 -3.753 1.00 0.00 O ATOM 1222 CB VAL A 78 1.568 -4.414 -1.135 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.336 -3.103 -0.804 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.073 -4.275 -0.771 1.00 0.00 C ATOM 0 H VAL A 78 0.678 -6.573 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 78 1.289 -4.072 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 78 1.999 -5.209 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.186 -2.848 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.400 -3.247 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.962 -2.294 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.021 -3.983 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.386 -3.515 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.430 -5.229 -0.928 1.00 0.00 H new ATOM 1234 N GLU A 79 3.885 -5.972 -2.431 1.00 0.00 N ATOM 1235 CA GLU A 79 5.322 -6.231 -2.619 1.00 0.00 C ATOM 1236 C GLU A 79 5.672 -6.414 -4.102 1.00 0.00 C ATOM 1237 O GLU A 79 6.738 -5.995 -4.522 1.00 0.00 O ATOM 1238 CB GLU A 79 5.746 -7.482 -1.817 1.00 0.00 C ATOM 1239 CG GLU A 79 5.551 -7.344 -0.296 1.00 0.00 C ATOM 1240 CD GLU A 79 5.892 -8.620 0.486 1.00 0.00 C ATOM 1241 OE1 GLU A 79 5.121 -9.597 0.409 1.00 0.00 O ATOM 1242 OE2 GLU A 79 6.932 -8.659 1.180 1.00 0.00 O ATOM 0 H GLU A 79 3.423 -6.659 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 79 5.868 -5.363 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.173 -8.339 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.796 -7.694 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.174 -6.527 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.515 -7.070 -0.094 1.00 0.00 H new ATOM 1249 N ALA A 80 4.739 -7.022 -4.874 1.00 0.00 N ATOM 1250 CA ALA A 80 4.906 -7.278 -6.326 1.00 0.00 C ATOM 1251 C ALA A 80 5.118 -5.971 -7.124 1.00 0.00 C ATOM 1252 O ALA A 80 5.860 -5.956 -8.110 1.00 0.00 O ATOM 1253 CB ALA A 80 3.692 -8.050 -6.871 1.00 0.00 C ATOM 0 H ALA A 80 3.846 -7.350 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 80 5.803 -7.884 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.826 -8.232 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.602 -9.002 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.787 -7.463 -6.714 1.00 0.00 H new ATOM 1259 N VAL A 81 4.467 -4.888 -6.671 1.00 0.00 N ATOM 1260 CA VAL A 81 4.621 -3.535 -7.252 1.00 0.00 C ATOM 1261 C VAL A 81 6.056 -3.003 -7.025 1.00 0.00 C ATOM 1262 O VAL A 81 6.661 -2.396 -7.915 1.00 0.00 O ATOM 1263 CB VAL A 81 3.545 -2.562 -6.633 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.791 -1.073 -7.002 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.118 -3.015 -7.044 1.00 0.00 C ATOM 0 H VAL A 81 3.815 -4.921 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 81 4.458 -3.589 -8.328 1.00 0.00 H new ATOM 0 HB VAL A 81 3.640 -2.622 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.018 -0.453 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.769 -0.763 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.759 -0.956 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.382 -2.337 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.030 -3.001 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.938 -4.026 -6.679 1.00 0.00 H new ATOM 1275 N PHE A 82 6.580 -3.230 -5.816 1.00 0.00 N ATOM 1276 CA PHE A 82 7.991 -2.928 -5.461 1.00 0.00 C ATOM 1277 C PHE A 82 8.971 -4.068 -5.853 1.00 0.00 C ATOM 1278 O PHE A 82 10.157 -4.000 -5.510 1.00 0.00 O ATOM 1279 CB PHE A 82 8.059 -2.637 -3.939 1.00 0.00 C ATOM 1280 CG PHE A 82 7.034 -1.594 -3.523 1.00 0.00 C ATOM 1281 CD1 PHE A 82 7.260 -0.236 -3.740 1.00 0.00 C ATOM 1282 CD2 PHE A 82 5.812 -1.982 -2.987 1.00 0.00 C ATOM 1283 CE1 PHE A 82 6.293 0.693 -3.427 1.00 0.00 C ATOM 1284 CE2 PHE A 82 4.857 -1.055 -2.664 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.092 0.276 -2.890 1.00 0.00 C ATOM 0 H PHE A 82 6.044 -3.630 -5.046 1.00 0.00 H new ATOM 0 HA PHE A 82 8.311 -2.056 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.887 -3.559 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.059 -2.290 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.201 0.090 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.612 -3.031 -2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.474 1.743 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.920 -1.373 -2.232 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.332 1.004 -2.646 1.00 0.00 H new ATOM 1295 N GLU A 83 8.481 -5.094 -6.590 1.00 0.00 N ATOM 1296 CA GLU A 83 9.285 -6.273 -6.992 1.00 0.00 C ATOM 1297 C GLU A 83 9.055 -6.556 -8.494 1.00 0.00 C ATOM 1298 O GLU A 83 8.720 -7.675 -8.912 1.00 0.00 O ATOM 1299 CB GLU A 83 8.907 -7.491 -6.087 1.00 0.00 C ATOM 1300 CG GLU A 83 9.809 -8.734 -6.216 1.00 0.00 C ATOM 1301 CD GLU A 83 9.283 -9.937 -5.411 1.00 0.00 C ATOM 1302 OE1 GLU A 83 9.419 -9.944 -4.168 1.00 0.00 O ATOM 1303 OE2 GLU A 83 8.717 -10.875 -6.016 1.00 0.00 O ATOM 0 H GLU A 83 7.517 -5.127 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 83 10.349 -6.083 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.920 -7.164 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.883 -7.785 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.889 -9.012 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.814 -8.485 -5.875 1.00 0.00 H new ATOM 1310 N LEU A 84 9.254 -5.508 -9.318 1.00 0.00 N ATOM 1311 CA LEU A 84 9.056 -5.571 -10.790 1.00 0.00 C ATOM 1312 C LEU A 84 10.326 -6.069 -11.536 1.00 0.00 C ATOM 1313 O LEU A 84 10.557 -5.703 -12.700 1.00 0.00 O ATOM 1314 CB LEU A 84 8.578 -4.185 -11.323 1.00 0.00 C ATOM 1315 CG LEU A 84 7.180 -3.698 -10.807 1.00 0.00 C ATOM 1316 CD1 LEU A 84 6.832 -2.289 -11.341 1.00 0.00 C ATOM 1317 CD2 LEU A 84 6.057 -4.713 -11.147 1.00 0.00 C ATOM 0 H LEU A 84 9.557 -4.592 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 84 8.279 -6.308 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.324 -3.437 -11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.547 -4.227 -12.412 1.00 0.00 H new ATOM 0 HG LEU A 84 7.249 -3.633 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.856 -1.987 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.587 -1.577 -11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.807 -2.309 -12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.104 -4.340 -10.773 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.998 -4.841 -12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.280 -5.672 -10.679 1.00 0.00 H new