USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -8.08! C(o=-8.1!,f=-12!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 7 ASN : amide:sc= -22.1! C(o=-22!,f=-20!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 69:sc= -1.27! USER MOD Single : A 21 THR OG1 : rot 62:sc= 0.868 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.289) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -162:sc= -0.991 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -6! C(o=-6!,f=-5.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 33 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 15:sc= -0.669 USER MOD Single : A 44 THR OG1 : rot -130:sc= -0.0952 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.41! C(o=-7.4!,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 55 SER OG : rot 180:sc= -0.136 USER MOD Single : A 56 TYR OH : rot -29:sc= -0.982! USER MOD Single : A 58 ASN : amide:sc= -2.97 K(o=-3,f=-0.47) USER MOD Single : A 59 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 63 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.6!) USER MOD Single : A 64 THR OG1 : rot -83:sc= 1.22 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= -6.63! (180deg=-6.79!) USER MOD Single : A 67 THR OG1 : rot -7:sc= 0.952 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 139:sc= -0.193 (180deg=-1.79!) USER MOD Single : A 78 ASN : amide:sc= -8.69! C(o=-8.7!,f=-5.8!) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.013 (180deg=-0.138) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.469 17.000 -4.262 1.00 0.00 N ATOM 38 CA ASP A 3 -6.396 15.893 -4.069 1.00 0.00 C ATOM 39 C ASP A 3 -6.049 14.717 -4.978 1.00 0.00 C ATOM 40 O ASP A 3 -6.639 14.549 -6.048 1.00 0.00 O ATOM 41 CB ASP A 3 -7.828 16.349 -4.332 1.00 0.00 C ATOM 42 CG ASP A 3 -8.709 16.225 -3.103 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.843 15.099 -2.580 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.267 17.254 -2.667 1.00 0.00 O ATOM 0 HA ASP A 3 -6.310 15.562 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.820 17.386 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.253 15.755 -5.142 1.00 0.00 H new ATOM 49 N PRO A 4 -5.084 13.881 -4.564 1.00 0.00 N ATOM 50 CA PRO A 4 -4.652 12.712 -5.329 1.00 0.00 C ATOM 51 C PRO A 4 -5.642 11.562 -5.206 1.00 0.00 C ATOM 52 O PRO A 4 -6.359 11.454 -4.212 1.00 0.00 O ATOM 53 CB PRO A 4 -3.309 12.326 -4.690 1.00 0.00 C ATOM 54 CG PRO A 4 -3.016 13.379 -3.667 1.00 0.00 C ATOM 55 CD PRO A 4 -4.334 14.006 -3.313 1.00 0.00 C ATOM 0 HA PRO A 4 -4.577 12.929 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.366 11.340 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.519 12.281 -5.440 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.544 12.944 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.326 14.124 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.825 13.485 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.221 15.047 -3.009 1.00 0.00 H new ATOM 63 N THR A 5 -5.683 10.696 -6.217 1.00 0.00 N ATOM 64 CA THR A 5 -6.599 9.560 -6.190 1.00 0.00 C ATOM 65 C THR A 5 -5.842 8.237 -6.205 1.00 0.00 C ATOM 66 O THR A 5 -4.786 8.114 -6.828 1.00 0.00 O ATOM 67 CB THR A 5 -7.570 9.629 -7.371 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.548 10.912 -7.968 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.001 9.330 -6.981 1.00 0.00 C ATOM 0 H THR A 5 -5.102 10.758 -7.053 1.00 0.00 H new ATOM 0 HA THR A 5 -7.167 9.612 -5.261 1.00 0.00 H new ATOM 0 HB THR A 5 -7.230 8.865 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.174 10.933 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.639 9.395 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.062 8.325 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.334 10.054 -6.237 1.00 0.00 H new ATOM 77 N ILE A 6 -6.398 7.243 -5.514 1.00 0.00 N ATOM 78 CA ILE A 6 -5.788 5.919 -5.440 1.00 0.00 C ATOM 79 C ILE A 6 -6.851 4.837 -5.503 1.00 0.00 C ATOM 80 O ILE A 6 -7.933 4.984 -4.936 1.00 0.00 O ATOM 81 CB ILE A 6 -4.988 5.737 -4.143 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.335 4.356 -4.102 1.00 0.00 C ATOM 83 CG2 ILE A 6 -5.897 5.927 -2.937 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.310 4.138 -5.192 1.00 0.00 C ATOM 0 H ILE A 6 -7.272 7.331 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.113 5.833 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.200 6.490 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.857 4.218 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.110 3.594 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.320 5.796 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.323 6.930 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.701 5.191 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.889 3.137 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.787 4.243 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.514 4.877 -5.096 1.00 0.00 H new ATOM 96 N ASN A 7 -6.548 3.756 -6.206 1.00 0.00 N ATOM 97 CA ASN A 7 -7.502 2.664 -6.342 1.00 0.00 C ATOM 98 C ASN A 7 -8.156 2.289 -5.044 1.00 0.00 C ATOM 99 O ASN A 7 -9.288 2.706 -4.796 1.00 0.00 O ATOM 100 CB ASN A 7 -6.920 1.437 -7.065 1.00 0.00 C ATOM 101 CG ASN A 7 -5.423 1.513 -7.339 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.965 1.103 -8.407 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.643 2.026 -6.388 1.00 0.00 N ATOM 0 H ASN A 7 -5.660 3.611 -6.686 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.290 3.056 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.122 0.549 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.443 1.308 -8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.635 2.088 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.054 2.357 -5.515 1.00 0.00 H new ATOM 110 N PRO A 8 -7.541 1.478 -4.202 1.00 0.00 N ATOM 111 CA PRO A 8 -8.186 1.080 -2.997 1.00 0.00 C ATOM 112 C PRO A 8 -7.666 1.797 -1.760 1.00 0.00 C ATOM 113 O PRO A 8 -6.859 2.724 -1.852 1.00 0.00 O ATOM 114 CB PRO A 8 -7.821 -0.376 -2.971 1.00 0.00 C ATOM 115 CG PRO A 8 -6.420 -0.426 -3.503 1.00 0.00 C ATOM 116 CD PRO A 8 -6.230 0.824 -4.323 1.00 0.00 C ATOM 0 HA PRO A 8 -9.252 1.305 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.876 -0.780 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.500 -0.966 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.697 -0.470 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.268 -1.317 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.426 1.448 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.983 0.597 -5.360 1.00 0.00 H new ATOM 124 N THR A 9 -8.138 1.355 -0.601 1.00 0.00 N ATOM 125 CA THR A 9 -7.733 1.943 0.661 1.00 0.00 C ATOM 126 C THR A 9 -7.835 0.926 1.796 1.00 0.00 C ATOM 127 O THR A 9 -7.790 1.296 2.970 1.00 0.00 O ATOM 128 CB THR A 9 -8.600 3.158 0.976 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.645 4.045 -0.121 1.00 0.00 O ATOM 130 CG2 THR A 9 -8.125 3.941 2.181 1.00 0.00 C ATOM 0 H THR A 9 -8.804 0.588 -0.513 1.00 0.00 H new ATOM 0 HA THR A 9 -6.693 2.256 0.571 1.00 0.00 H new ATOM 0 HB THR A 9 -9.588 2.752 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.208 4.815 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.787 4.791 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.134 3.297 3.060 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.111 4.300 2.005 1.00 0.00 H new ATOM 138 N SER A 10 -7.977 -0.346 1.451 1.00 0.00 N ATOM 139 CA SER A 10 -8.090 -1.389 2.464 1.00 0.00 C ATOM 140 C SER A 10 -7.941 -2.786 1.868 1.00 0.00 C ATOM 141 O SER A 10 -8.416 -3.064 0.768 1.00 0.00 O ATOM 142 CB SER A 10 -9.432 -1.276 3.189 1.00 0.00 C ATOM 143 OG SER A 10 -9.690 -2.430 3.970 1.00 0.00 O ATOM 0 H SER A 10 -8.017 -0.680 0.488 1.00 0.00 H new ATOM 0 HA SER A 10 -7.275 -1.242 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.430 -0.393 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.232 -1.140 2.461 1.00 0.00 H new ATOM 0 HG SER A 10 -10.553 -2.331 4.424 1.00 0.00 H new ATOM 149 N ILE A 11 -7.283 -3.661 2.624 1.00 0.00 N ATOM 150 CA ILE A 11 -7.061 -5.045 2.210 1.00 0.00 C ATOM 151 C ILE A 11 -6.544 -5.862 3.392 1.00 0.00 C ATOM 152 O ILE A 11 -6.037 -5.303 4.361 1.00 0.00 O ATOM 153 CB ILE A 11 -6.060 -5.138 1.031 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.433 -6.533 0.946 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.981 -4.076 1.161 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.471 -6.694 -0.205 1.00 0.00 C ATOM 0 H ILE A 11 -6.890 -3.433 3.537 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.015 -5.448 1.870 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.612 -4.961 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.909 -6.744 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.227 -7.274 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.288 -4.157 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.441 -3.088 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.439 -4.220 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.066 -7.706 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.994 -6.515 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.656 -5.977 -0.101 1.00 0.00 H new ATOM 168 N SER A 12 -6.674 -7.184 3.316 1.00 0.00 N ATOM 169 CA SER A 12 -6.211 -8.050 4.396 1.00 0.00 C ATOM 170 C SER A 12 -5.852 -9.439 3.880 1.00 0.00 C ATOM 171 O SER A 12 -6.584 -10.033 3.090 1.00 0.00 O ATOM 172 CB SER A 12 -7.269 -8.165 5.487 1.00 0.00 C ATOM 173 OG SER A 12 -8.419 -7.401 5.172 1.00 0.00 O ATOM 0 H SER A 12 -7.092 -7.675 2.526 1.00 0.00 H new ATOM 0 HA SER A 12 -5.314 -7.595 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.549 -9.211 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.854 -7.826 6.436 1.00 0.00 H new ATOM 0 HG SER A 12 -9.081 -7.495 5.889 1.00 0.00 H new ATOM 179 N ALA A 13 -4.719 -9.948 4.347 1.00 0.00 N ATOM 180 CA ALA A 13 -4.245 -11.261 3.956 1.00 0.00 C ATOM 181 C ALA A 13 -3.047 -11.672 4.802 1.00 0.00 C ATOM 182 O ALA A 13 -2.422 -10.842 5.466 1.00 0.00 O ATOM 183 CB ALA A 13 -3.883 -11.277 2.477 1.00 0.00 C ATOM 0 H ALA A 13 -4.109 -9.462 5.004 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.047 -11.980 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.529 -12.270 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.763 -11.027 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.098 -10.546 2.287 1.00 0.00 H new ATOM 189 N LYS A 14 -2.719 -12.950 4.762 1.00 0.00 N ATOM 190 CA LYS A 14 -1.579 -13.463 5.508 1.00 0.00 C ATOM 191 C LYS A 14 -0.290 -12.957 4.872 1.00 0.00 C ATOM 192 O LYS A 14 -0.242 -12.723 3.665 1.00 0.00 O ATOM 193 CB LYS A 14 -1.604 -14.994 5.546 1.00 0.00 C ATOM 194 CG LYS A 14 -0.305 -15.625 6.017 1.00 0.00 C ATOM 195 CD LYS A 14 -0.168 -17.055 5.518 1.00 0.00 C ATOM 196 CE LYS A 14 -1.151 -17.984 6.212 1.00 0.00 C ATOM 197 NZ LYS A 14 -1.838 -18.888 5.246 1.00 0.00 N ATOM 0 H LYS A 14 -3.224 -13.653 4.222 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.632 -13.105 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.411 -15.317 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.836 -15.368 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.538 -15.032 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.267 -15.613 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.337 -17.084 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.850 -17.406 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.623 -18.581 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.894 -17.392 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.500 -19.505 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.363 -18.319 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.132 -19.471 4.753 1.00 0.00 H new ATOM 211 N ALA A 15 0.750 -12.774 5.672 1.00 0.00 N ATOM 212 CA ALA A 15 2.008 -12.281 5.130 1.00 0.00 C ATOM 213 C ALA A 15 2.571 -13.254 4.123 1.00 0.00 C ATOM 214 O ALA A 15 3.109 -14.307 4.469 1.00 0.00 O ATOM 215 CB ALA A 15 3.020 -11.980 6.223 1.00 0.00 C ATOM 0 H ALA A 15 0.751 -12.954 6.676 1.00 0.00 H new ATOM 0 HA ALA A 15 1.798 -11.340 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.943 -11.615 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.617 -11.220 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.226 -12.889 6.788 1.00 0.00 H new ATOM 221 N GLY A 16 2.417 -12.885 2.870 1.00 0.00 N ATOM 222 CA GLY A 16 2.877 -13.705 1.781 1.00 0.00 C ATOM 223 C GLY A 16 1.776 -13.915 0.775 1.00 0.00 C ATOM 224 O GLY A 16 2.010 -13.927 -0.422 1.00 0.00 O ATOM 0 H GLY A 16 1.972 -12.013 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.733 -13.232 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.218 -14.668 2.162 1.00 0.00 H new ATOM 228 N SER A 17 0.551 -14.029 1.266 1.00 0.00 N ATOM 229 CA SER A 17 -0.586 -14.209 0.401 1.00 0.00 C ATOM 230 C SER A 17 -0.842 -12.942 -0.396 1.00 0.00 C ATOM 231 O SER A 17 -1.847 -12.815 -1.098 1.00 0.00 O ATOM 232 CB SER A 17 -1.799 -14.550 1.255 1.00 0.00 C ATOM 233 OG SER A 17 -1.492 -14.470 2.637 1.00 0.00 O ATOM 0 H SER A 17 0.327 -13.999 2.261 1.00 0.00 H new ATOM 0 HA SER A 17 -0.392 -15.020 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.615 -13.867 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.146 -15.555 1.014 1.00 0.00 H new ATOM 0 HG SER A 17 -1.339 -13.534 2.885 1.00 0.00 H new ATOM 239 N PHE A 18 0.080 -12.006 -0.292 1.00 0.00 N ATOM 240 CA PHE A 18 -0.021 -10.760 -0.991 1.00 0.00 C ATOM 241 C PHE A 18 0.779 -10.810 -2.271 1.00 0.00 C ATOM 242 O PHE A 18 1.921 -10.357 -2.321 1.00 0.00 O ATOM 243 CB PHE A 18 0.498 -9.659 -0.095 1.00 0.00 C ATOM 244 CG PHE A 18 -0.347 -9.411 1.115 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.658 -8.984 0.992 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.169 -9.612 2.384 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.437 -8.760 2.112 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.599 -9.390 3.505 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.904 -8.965 3.371 1.00 0.00 C ATOM 0 H PHE A 18 0.918 -12.097 0.283 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.062 -10.567 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.509 -9.911 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.568 -8.737 -0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.077 -8.824 0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.189 -9.948 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.458 -8.426 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.180 -9.548 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.509 -8.792 4.249 1.00 0.00 H new ATOM 259 N ALA A 19 0.178 -11.366 -3.303 1.00 0.00 N ATOM 260 CA ALA A 19 0.853 -11.486 -4.587 1.00 0.00 C ATOM 261 C ALA A 19 1.052 -10.111 -5.211 1.00 0.00 C ATOM 262 O ALA A 19 0.156 -9.266 -5.170 1.00 0.00 O ATOM 263 CB ALA A 19 0.060 -12.385 -5.524 1.00 0.00 C ATOM 0 H ALA A 19 -0.770 -11.741 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 19 1.831 -11.938 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.579 -12.463 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.037 -13.376 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.931 -11.960 -5.684 1.00 0.00 H new ATOM 269 N ASP A 20 2.241 -9.889 -5.773 1.00 0.00 N ATOM 270 CA ASP A 20 2.579 -8.609 -6.393 1.00 0.00 C ATOM 271 C ASP A 20 1.360 -7.987 -7.059 1.00 0.00 C ATOM 272 O ASP A 20 0.671 -8.637 -7.844 1.00 0.00 O ATOM 273 CB ASP A 20 3.696 -8.797 -7.420 1.00 0.00 C ATOM 274 CG ASP A 20 4.029 -7.514 -8.156 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.246 -7.120 -9.044 1.00 0.00 O ATOM 276 OD2 ASP A 20 5.071 -6.902 -7.840 1.00 0.00 O ATOM 0 H ASP A 20 2.988 -10.583 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 20 2.924 -7.934 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.590 -9.166 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.398 -9.559 -8.141 1.00 0.00 H new ATOM 281 N THR A 21 1.094 -6.725 -6.738 1.00 0.00 N ATOM 282 CA THR A 21 -0.047 -6.032 -7.307 1.00 0.00 C ATOM 283 C THR A 21 0.310 -4.600 -7.670 1.00 0.00 C ATOM 284 O THR A 21 0.886 -3.867 -6.869 1.00 0.00 O ATOM 285 CB THR A 21 -1.224 -6.051 -6.328 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.729 -7.365 -6.177 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.375 -5.164 -6.753 1.00 0.00 C ATOM 0 H THR A 21 1.651 -6.168 -6.091 1.00 0.00 H new ATOM 0 HA THR A 21 -0.338 -6.553 -8.219 1.00 0.00 H new ATOM 0 HB THR A 21 -0.822 -5.670 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.032 -7.942 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.174 -5.226 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.031 -4.133 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.750 -5.494 -7.722 1.00 0.00 H new ATOM 295 N LYS A 22 -0.026 -4.214 -8.891 1.00 0.00 N ATOM 296 CA LYS A 22 0.258 -2.880 -9.370 1.00 0.00 C ATOM 297 C LYS A 22 -0.888 -1.930 -9.064 1.00 0.00 C ATOM 298 O LYS A 22 -2.023 -2.151 -9.481 1.00 0.00 O ATOM 299 CB LYS A 22 0.550 -2.888 -10.874 1.00 0.00 C ATOM 300 CG LYS A 22 0.169 -4.179 -11.583 1.00 0.00 C ATOM 301 CD LYS A 22 -1.335 -4.341 -11.673 1.00 0.00 C ATOM 302 CE LYS A 22 -1.730 -5.802 -11.832 1.00 0.00 C ATOM 303 NZ LYS A 22 -0.824 -6.524 -12.765 1.00 0.00 N ATOM 0 H LYS A 22 -0.498 -4.813 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 22 1.146 -2.526 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.015 -2.061 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.614 -2.705 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.597 -4.185 -12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.596 -5.028 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.800 -3.933 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.714 -3.766 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.712 -6.291 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.754 -5.863 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.282 -7.401 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.620 -5.921 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.064 -6.756 -12.277 1.00 0.00 H new ATOM 317 N ILE A 23 -0.578 -0.872 -8.325 1.00 0.00 N ATOM 318 CA ILE A 23 -1.567 0.117 -7.945 1.00 0.00 C ATOM 319 C ILE A 23 -1.543 1.312 -8.900 1.00 0.00 C ATOM 320 O ILE A 23 -0.531 1.577 -9.549 1.00 0.00 O ATOM 321 CB ILE A 23 -1.327 0.585 -6.490 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.477 0.106 -5.595 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.153 2.100 -6.407 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.601 0.863 -4.287 1.00 0.00 C ATOM 0 H ILE A 23 0.361 -0.680 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.552 -0.346 -8.007 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.397 0.141 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.413 0.197 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.337 -0.953 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.987 2.391 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.297 2.401 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.051 2.590 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.437 0.463 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.681 0.751 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.774 1.919 -4.493 1.00 0.00 H new ATOM 336 N THR A 24 -2.660 2.032 -8.976 1.00 0.00 N ATOM 337 CA THR A 24 -2.760 3.198 -9.844 1.00 0.00 C ATOM 338 C THR A 24 -2.960 4.461 -9.021 1.00 0.00 C ATOM 339 O THR A 24 -3.980 4.626 -8.352 1.00 0.00 O ATOM 340 CB THR A 24 -3.904 3.029 -10.843 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.772 3.949 -11.915 1.00 0.00 O ATOM 342 CG2 THR A 24 -5.276 3.232 -10.234 1.00 0.00 C ATOM 0 H THR A 24 -3.507 1.827 -8.446 1.00 0.00 H new ATOM 0 HA THR A 24 -1.827 3.290 -10.400 1.00 0.00 H new ATOM 0 HB THR A 24 -3.830 1.998 -11.190 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.512 3.825 -12.545 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.038 3.097 -11.001 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.431 2.506 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.347 4.240 -9.826 1.00 0.00 H new ATOM 350 N LEU A 25 -1.972 5.343 -9.062 1.00 0.00 N ATOM 351 CA LEU A 25 -2.023 6.578 -8.316 1.00 0.00 C ATOM 352 C LEU A 25 -2.370 7.752 -9.226 1.00 0.00 C ATOM 353 O LEU A 25 -1.536 8.218 -10.001 1.00 0.00 O ATOM 354 CB LEU A 25 -0.674 6.788 -7.651 1.00 0.00 C ATOM 355 CG LEU A 25 -0.596 6.292 -6.207 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.076 4.865 -6.162 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.284 7.207 -5.375 1.00 0.00 C ATOM 0 H LEU A 25 -1.121 5.218 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.804 6.519 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.090 6.279 -8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.435 7.851 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.600 6.306 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.027 4.528 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.747 4.215 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.920 4.827 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.327 6.838 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.289 7.227 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.131 8.215 -5.380 1.00 0.00 H new ATOM 369 N THR A 26 -3.611 8.218 -9.128 1.00 0.00 N ATOM 370 CA THR A 26 -4.077 9.332 -9.947 1.00 0.00 C ATOM 371 C THR A 26 -3.413 10.639 -9.524 1.00 0.00 C ATOM 372 O THR A 26 -3.663 11.153 -8.431 1.00 0.00 O ATOM 373 CB THR A 26 -5.595 9.468 -9.846 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.217 8.194 -9.879 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.197 10.300 -10.957 1.00 0.00 C ATOM 0 H THR A 26 -4.312 7.842 -8.490 1.00 0.00 H new ATOM 0 HA THR A 26 -3.803 9.124 -10.981 1.00 0.00 H new ATOM 0 HB THR A 26 -5.776 9.972 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.166 8.299 -10.100 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.278 10.356 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.775 11.305 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.973 9.839 -11.919 1.00 0.00 H new ATOM 383 N PRO A 27 -2.555 11.190 -10.408 1.00 0.00 N ATOM 384 CA PRO A 27 -1.828 12.440 -10.175 1.00 0.00 C ATOM 385 C PRO A 27 -2.585 13.648 -10.698 1.00 0.00 C ATOM 386 O PRO A 27 -2.072 14.758 -10.684 1.00 0.00 O ATOM 387 CB PRO A 27 -0.590 12.219 -11.012 1.00 0.00 C ATOM 388 CG PRO A 27 -1.124 11.542 -12.223 1.00 0.00 C ATOM 389 CD PRO A 27 -2.217 10.627 -11.731 1.00 0.00 C ATOM 0 HA PRO A 27 -1.653 12.644 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.096 13.159 -11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.143 11.601 -10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.513 12.267 -12.938 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.343 10.979 -12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.076 10.629 -12.401 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.875 9.595 -11.654 1.00 0.00 H new ATOM 397 N ASN A 28 -3.788 13.378 -11.186 1.00 0.00 N ATOM 398 CA ASN A 28 -4.687 14.349 -11.780 1.00 0.00 C ATOM 399 C ASN A 28 -4.619 15.677 -11.067 1.00 0.00 C ATOM 400 O ASN A 28 -5.563 16.126 -10.420 1.00 0.00 O ATOM 401 CB ASN A 28 -6.119 13.819 -11.748 1.00 0.00 C ATOM 402 CG ASN A 28 -6.850 14.047 -13.055 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.610 13.355 -14.046 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.752 15.022 -13.068 1.00 0.00 N ATOM 0 H ASN A 28 -4.177 12.435 -11.177 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.375 14.505 -12.813 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.103 12.752 -11.525 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.665 14.305 -10.940 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.276 15.221 -13.920 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.921 15.572 -12.226 1.00 0.00 H new ATOM 411 N GLY A 29 -3.471 16.283 -11.215 1.00 0.00 N ATOM 412 CA GLY A 29 -3.199 17.574 -10.616 1.00 0.00 C ATOM 413 C GLY A 29 -2.167 17.491 -9.512 1.00 0.00 C ATOM 414 O GLY A 29 -1.467 18.463 -9.226 1.00 0.00 O ATOM 0 H GLY A 29 -2.694 15.900 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.850 18.262 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.124 17.988 -10.215 1.00 0.00 H new ATOM 418 N ASN A 30 -2.080 16.325 -8.893 1.00 0.00 N ATOM 419 CA ASN A 30 -1.138 16.086 -7.812 1.00 0.00 C ATOM 420 C ASN A 30 -0.017 15.161 -8.266 1.00 0.00 C ATOM 421 O ASN A 30 -0.146 14.460 -9.271 1.00 0.00 O ATOM 422 CB ASN A 30 -1.869 15.472 -6.619 1.00 0.00 C ATOM 423 CG ASN A 30 -3.377 15.623 -6.719 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.965 16.497 -6.088 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.009 14.771 -7.521 1.00 0.00 N ATOM 0 H ASN A 30 -2.660 15.518 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.698 17.039 -7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.617 14.414 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.520 15.945 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.021 14.829 -7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.481 14.060 -8.027 1.00 0.00 H new ATOM 432 N THR A 31 1.083 15.153 -7.523 1.00 0.00 N ATOM 433 CA THR A 31 2.214 14.306 -7.854 1.00 0.00 C ATOM 434 C THR A 31 2.528 13.351 -6.711 1.00 0.00 C ATOM 435 O THR A 31 2.204 13.620 -5.555 1.00 0.00 O ATOM 436 CB THR A 31 3.448 15.146 -8.177 1.00 0.00 C ATOM 437 OG1 THR A 31 4.576 14.310 -8.375 1.00 0.00 O ATOM 438 CG2 THR A 31 3.799 16.139 -7.088 1.00 0.00 C ATOM 0 H THR A 31 1.212 15.725 -6.688 1.00 0.00 H new ATOM 0 HA THR A 31 1.944 13.725 -8.736 1.00 0.00 H new ATOM 0 HB THR A 31 3.197 15.700 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.359 14.861 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.685 16.703 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.965 16.825 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.000 15.605 -6.159 1.00 0.00 H new ATOM 446 N PHE A 32 3.159 12.239 -7.047 1.00 0.00 N ATOM 447 CA PHE A 32 3.519 11.232 -6.055 1.00 0.00 C ATOM 448 C PHE A 32 5.025 11.210 -5.818 1.00 0.00 C ATOM 449 O PHE A 32 5.813 11.362 -6.751 1.00 0.00 O ATOM 450 CB PHE A 32 3.037 9.856 -6.510 1.00 0.00 C ATOM 451 CG PHE A 32 3.449 8.738 -5.596 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.297 8.851 -4.225 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.989 7.572 -6.113 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.675 7.821 -3.387 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.369 6.539 -5.280 1.00 0.00 C ATOM 456 CZ PHE A 32 4.210 6.664 -3.915 1.00 0.00 C ATOM 0 H PHE A 32 3.435 12.007 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 32 3.032 11.489 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.950 9.869 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.424 9.658 -7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.878 9.754 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.114 7.470 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.552 7.921 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.790 5.635 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.504 5.857 -3.260 1.00 0.00 H new ATOM 466 N ASN A 33 5.417 11.023 -4.561 1.00 0.00 N ATOM 467 CA ASN A 33 6.830 10.983 -4.200 1.00 0.00 C ATOM 468 C ASN A 33 7.237 9.587 -3.741 1.00 0.00 C ATOM 469 O ASN A 33 8.305 9.093 -4.105 1.00 0.00 O ATOM 470 CB ASN A 33 7.121 12.002 -3.094 1.00 0.00 C ATOM 471 CG ASN A 33 8.141 13.039 -3.521 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.923 12.816 -4.446 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.141 14.181 -2.844 1.00 0.00 N ATOM 0 H ASN A 33 4.777 10.897 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 33 7.414 11.237 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.195 12.502 -2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.485 11.480 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.807 14.916 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.475 14.324 -2.085 1.00 0.00 H new ATOM 480 N GLY A 34 6.387 8.957 -2.940 1.00 0.00 N ATOM 481 CA GLY A 34 6.688 7.625 -2.448 1.00 0.00 C ATOM 482 C GLY A 34 6.028 7.331 -1.111 1.00 0.00 C ATOM 483 O GLY A 34 5.641 8.248 -0.388 1.00 0.00 O ATOM 0 H GLY A 34 5.497 9.342 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.359 6.888 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.768 7.514 -2.348 1.00 0.00 H new ATOM 487 N ILE A 35 5.918 6.048 -0.781 1.00 0.00 N ATOM 488 CA ILE A 35 5.321 5.633 0.479 1.00 0.00 C ATOM 489 C ILE A 35 6.416 5.307 1.483 1.00 0.00 C ATOM 490 O ILE A 35 7.008 4.228 1.468 1.00 0.00 O ATOM 491 CB ILE A 35 4.423 4.404 0.308 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.390 4.635 -0.789 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.739 4.068 1.619 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.868 3.357 -1.406 1.00 0.00 C ATOM 0 H ILE A 35 6.235 5.279 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 35 4.707 6.459 0.838 1.00 0.00 H new ATOM 0 HB ILE A 35 5.047 3.561 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.553 5.198 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.834 5.252 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.104 3.193 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.492 3.856 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.129 4.913 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.137 3.598 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.695 2.803 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.394 2.748 -0.636 1.00 0.00 H new ATOM 506 N SER A 36 6.676 6.263 2.353 1.00 0.00 N ATOM 507 CA SER A 36 7.715 6.120 3.375 1.00 0.00 C ATOM 508 C SER A 36 7.403 4.981 4.316 1.00 0.00 C ATOM 509 O SER A 36 8.289 4.209 4.676 1.00 0.00 O ATOM 510 CB SER A 36 7.889 7.425 4.154 1.00 0.00 C ATOM 511 OG SER A 36 8.519 7.192 5.404 1.00 0.00 O ATOM 0 H SER A 36 6.183 7.156 2.379 1.00 0.00 H new ATOM 0 HA SER A 36 8.652 5.891 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.484 8.126 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.916 7.889 4.314 1.00 0.00 H new ATOM 0 HG SER A 36 8.620 8.041 5.883 1.00 0.00 H new ATOM 517 N GLU A 37 6.141 4.856 4.694 1.00 0.00 N ATOM 518 CA GLU A 37 5.743 3.778 5.566 1.00 0.00 C ATOM 519 C GLU A 37 6.358 2.471 5.051 1.00 0.00 C ATOM 520 O GLU A 37 6.630 1.549 5.822 1.00 0.00 O ATOM 521 CB GLU A 37 4.218 3.721 5.646 1.00 0.00 C ATOM 522 CG GLU A 37 3.647 2.323 5.649 1.00 0.00 C ATOM 523 CD GLU A 37 3.503 1.793 4.246 1.00 0.00 C ATOM 524 OE1 GLU A 37 2.805 2.441 3.438 1.00 0.00 O ATOM 525 OE2 GLU A 37 4.102 0.744 3.953 1.00 0.00 O ATOM 0 H GLU A 37 5.387 5.483 4.412 1.00 0.00 H new ATOM 0 HA GLU A 37 6.109 3.940 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.894 4.235 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.801 4.269 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.295 1.663 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.675 2.325 6.142 1.00 0.00 H new ATOM 532 N LEU A 38 6.632 2.431 3.736 1.00 0.00 N ATOM 533 CA LEU A 38 7.276 1.288 3.113 1.00 0.00 C ATOM 534 C LEU A 38 8.358 1.775 2.147 1.00 0.00 C ATOM 535 O LEU A 38 8.110 1.955 0.959 1.00 0.00 O ATOM 536 CB LEU A 38 6.274 0.389 2.383 1.00 0.00 C ATOM 537 CG LEU A 38 5.233 1.102 1.517 1.00 0.00 C ATOM 538 CD1 LEU A 38 5.786 1.377 0.130 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.967 0.270 1.408 1.00 0.00 C ATOM 0 H LEU A 38 6.411 3.189 3.090 1.00 0.00 H new ATOM 0 HA LEU A 38 7.729 0.687 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.831 -0.302 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.749 -0.212 3.125 1.00 0.00 H new ATOM 0 HG LEU A 38 4.992 2.051 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.030 1.884 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.670 2.009 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.055 0.435 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.239 0.794 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.202 -0.693 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.549 0.111 2.402 1.00 0.00 H new ATOM 551 N GLN A 39 9.544 2.018 2.693 1.00 0.00 N ATOM 552 CA GLN A 39 10.685 2.520 1.946 1.00 0.00 C ATOM 553 C GLN A 39 10.659 2.038 0.513 1.00 0.00 C ATOM 554 O GLN A 39 11.233 1.015 0.153 1.00 0.00 O ATOM 555 CB GLN A 39 11.991 2.094 2.617 1.00 0.00 C ATOM 556 CG GLN A 39 11.994 2.296 4.124 1.00 0.00 C ATOM 557 CD GLN A 39 13.376 2.152 4.728 1.00 0.00 C ATOM 558 OE1 GLN A 39 13.896 1.043 4.857 1.00 0.00 O ATOM 559 NE2 GLN A 39 13.980 3.273 5.104 1.00 0.00 N ATOM 0 H GLN A 39 9.740 1.869 3.683 1.00 0.00 H new ATOM 0 HA GLN A 39 10.625 3.608 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.176 1.042 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.815 2.659 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.602 3.286 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.323 1.572 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.513 4.171 4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.911 3.236 5.518 1.00 0.00 H new ATOM 568 N SER A 40 9.957 2.837 -0.255 1.00 0.00 N ATOM 569 CA SER A 40 9.729 2.664 -1.698 1.00 0.00 C ATOM 570 C SER A 40 10.265 1.357 -2.247 1.00 0.00 C ATOM 571 O SER A 40 9.607 0.697 -3.045 1.00 0.00 O ATOM 572 CB SER A 40 10.339 3.835 -2.467 1.00 0.00 C ATOM 573 OG SER A 40 11.716 3.986 -2.161 1.00 0.00 O ATOM 0 H SER A 40 9.500 3.671 0.113 1.00 0.00 H new ATOM 0 HA SER A 40 8.648 2.638 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.217 3.674 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.806 4.753 -2.220 1.00 0.00 H new ATOM 0 HG SER A 40 12.083 4.741 -2.667 1.00 0.00 H new ATOM 579 N SER A 41 11.451 0.981 -1.826 1.00 0.00 N ATOM 580 CA SER A 41 12.048 -0.260 -2.289 1.00 0.00 C ATOM 581 C SER A 41 11.037 -1.396 -2.173 1.00 0.00 C ATOM 582 O SER A 41 11.079 -2.368 -2.927 1.00 0.00 O ATOM 583 CB SER A 41 13.316 -0.581 -1.489 1.00 0.00 C ATOM 584 OG SER A 41 13.338 -1.939 -1.082 1.00 0.00 O ATOM 0 H SER A 41 12.022 1.510 -1.167 1.00 0.00 H new ATOM 0 HA SER A 41 12.330 -0.146 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.196 -0.367 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.369 0.065 -0.612 1.00 0.00 H new ATOM 0 HG SER A 41 14.158 -2.115 -0.575 1.00 0.00 H new ATOM 590 N GLN A 42 10.117 -1.250 -1.225 1.00 0.00 N ATOM 591 CA GLN A 42 9.076 -2.215 -0.984 1.00 0.00 C ATOM 592 C GLN A 42 8.242 -2.463 -2.234 1.00 0.00 C ATOM 593 O GLN A 42 7.743 -3.567 -2.472 1.00 0.00 O ATOM 594 CB GLN A 42 8.199 -1.651 0.112 1.00 0.00 C ATOM 595 CG GLN A 42 8.881 -1.556 1.463 1.00 0.00 C ATOM 596 CD GLN A 42 10.395 -1.669 1.409 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.109 -0.695 1.634 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.891 -2.868 1.126 1.00 0.00 N ATOM 0 H GLN A 42 10.082 -0.444 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 42 9.515 -3.171 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.861 -0.658 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.310 -2.275 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.616 -0.605 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.493 -2.343 2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.262 -3.650 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.901 -3.006 1.089 1.00 0.00 H new ATOM 607 N TYR A 43 8.086 -1.411 -3.009 1.00 0.00 N ATOM 608 CA TYR A 43 7.297 -1.462 -4.235 1.00 0.00 C ATOM 609 C TYR A 43 8.107 -1.075 -5.464 1.00 0.00 C ATOM 610 O TYR A 43 9.324 -0.893 -5.405 1.00 0.00 O ATOM 611 CB TYR A 43 6.066 -0.551 -4.113 1.00 0.00 C ATOM 612 CG TYR A 43 6.376 0.890 -3.778 1.00 0.00 C ATOM 613 CD1 TYR A 43 7.459 1.558 -4.347 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.573 1.593 -2.889 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.726 2.877 -4.036 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.835 2.914 -2.578 1.00 0.00 C ATOM 617 CZ TYR A 43 6.912 3.551 -3.153 1.00 0.00 C ATOM 618 OH TYR A 43 7.177 4.865 -2.845 1.00 0.00 O ATOM 0 H TYR A 43 8.497 -0.498 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 43 6.978 -2.496 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.515 -0.581 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.407 -0.955 -3.344 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.100 1.036 -5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.728 1.098 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.571 3.379 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.197 3.445 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 43 7.809 5.233 -3.498 1.00 0.00 H new ATOM 628 N THR A 44 7.394 -0.941 -6.570 1.00 0.00 N ATOM 629 CA THR A 44 7.966 -0.560 -7.849 1.00 0.00 C ATOM 630 C THR A 44 7.111 0.540 -8.448 1.00 0.00 C ATOM 631 O THR A 44 6.119 0.277 -9.133 1.00 0.00 O ATOM 632 CB THR A 44 8.028 -1.760 -8.793 1.00 0.00 C ATOM 633 OG1 THR A 44 8.159 -2.967 -8.061 1.00 0.00 O ATOM 634 CG2 THR A 44 9.177 -1.690 -9.776 1.00 0.00 C ATOM 0 H THR A 44 6.386 -1.096 -6.604 1.00 0.00 H new ATOM 0 HA THR A 44 8.985 -0.202 -7.702 1.00 0.00 H new ATOM 0 HB THR A 44 7.093 -1.737 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.898 -3.495 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.163 -2.572 -10.416 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.077 -0.795 -10.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.120 -1.652 -9.231 1.00 0.00 H new ATOM 642 N LYS A 45 7.481 1.768 -8.144 1.00 0.00 N ATOM 643 CA LYS A 45 6.736 2.937 -8.603 1.00 0.00 C ATOM 644 C LYS A 45 6.847 3.133 -10.108 1.00 0.00 C ATOM 645 O LYS A 45 7.716 2.566 -10.768 1.00 0.00 O ATOM 646 CB LYS A 45 7.207 4.218 -7.898 1.00 0.00 C ATOM 647 CG LYS A 45 8.390 4.034 -6.959 1.00 0.00 C ATOM 648 CD LYS A 45 9.682 3.811 -7.730 1.00 0.00 C ATOM 649 CE LYS A 45 10.797 3.329 -6.815 1.00 0.00 C ATOM 650 NZ LYS A 45 11.628 4.457 -6.310 1.00 0.00 N ATOM 0 H LYS A 45 8.299 1.989 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 45 5.693 2.747 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.474 4.955 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.373 4.631 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.491 4.913 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.206 3.184 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.515 3.078 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.983 4.739 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.367 2.789 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.430 2.625 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.376 4.086 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.060 4.957 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.029 5.116 -5.773 1.00 0.00 H new ATOM 664 N GLY A 46 5.939 3.948 -10.630 1.00 0.00 N ATOM 665 CA GLY A 46 5.901 4.245 -12.043 1.00 0.00 C ATOM 666 C GLY A 46 5.011 5.436 -12.337 1.00 0.00 C ATOM 667 O GLY A 46 3.836 5.273 -12.670 1.00 0.00 O ATOM 0 H GLY A 46 5.216 4.416 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.911 4.447 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.538 3.374 -12.589 1.00 0.00 H new ATOM 671 N THR A 47 5.578 6.635 -12.190 1.00 0.00 N ATOM 672 CA THR A 47 4.858 7.891 -12.426 1.00 0.00 C ATOM 673 C THR A 47 3.353 7.679 -12.581 1.00 0.00 C ATOM 674 O THR A 47 2.883 7.238 -13.630 1.00 0.00 O ATOM 675 CB THR A 47 5.410 8.586 -13.672 1.00 0.00 C ATOM 676 OG1 THR A 47 6.804 8.800 -13.549 1.00 0.00 O ATOM 677 CG2 THR A 47 4.763 9.926 -13.945 1.00 0.00 C ATOM 0 H THR A 47 6.549 6.764 -11.904 1.00 0.00 H new ATOM 0 HA THR A 47 5.013 8.519 -11.549 1.00 0.00 H new ATOM 0 HB THR A 47 5.184 7.916 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.139 9.244 -14.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.200 10.365 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.692 9.789 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.931 10.590 -13.097 1.00 0.00 H new ATOM 685 N ASN A 48 2.604 8.002 -11.526 1.00 0.00 N ATOM 686 CA ASN A 48 1.150 7.863 -11.529 1.00 0.00 C ATOM 687 C ASN A 48 0.718 6.471 -11.068 1.00 0.00 C ATOM 688 O ASN A 48 -0.464 6.226 -10.853 1.00 0.00 O ATOM 689 CB ASN A 48 0.569 8.153 -12.917 1.00 0.00 C ATOM 690 CG ASN A 48 1.215 9.356 -13.574 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.000 10.072 -12.952 1.00 0.00 O ATOM 692 ND2 ASN A 48 0.889 9.585 -14.842 1.00 0.00 N ATOM 0 H ASN A 48 2.986 8.364 -10.652 1.00 0.00 H new ATOM 0 HA ASN A 48 0.759 8.596 -10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.703 7.279 -13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.504 8.322 -12.830 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.294 10.380 -15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.234 8.966 -15.320 1.00 0.00 H new ATOM 699 N GLU A 49 1.677 5.568 -10.916 1.00 0.00 N ATOM 700 CA GLU A 49 1.372 4.209 -10.478 1.00 0.00 C ATOM 701 C GLU A 49 2.488 3.636 -9.612 1.00 0.00 C ATOM 702 O GLU A 49 3.601 4.151 -9.592 1.00 0.00 O ATOM 703 CB GLU A 49 1.148 3.303 -11.687 1.00 0.00 C ATOM 704 CG GLU A 49 -0.269 3.332 -12.220 1.00 0.00 C ATOM 705 CD GLU A 49 -0.323 3.467 -13.728 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.375 4.345 -14.273 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.070 2.695 -14.368 1.00 0.00 O ATOM 0 H GLU A 49 2.666 5.748 -11.088 1.00 0.00 H new ATOM 0 HA GLU A 49 0.463 4.253 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.831 3.600 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.402 2.279 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.784 2.418 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.807 4.164 -11.765 1.00 0.00 H new ATOM 714 N VAL A 50 2.170 2.556 -8.901 1.00 0.00 N ATOM 715 CA VAL A 50 3.133 1.881 -8.032 1.00 0.00 C ATOM 716 C VAL A 50 2.649 0.479 -7.696 1.00 0.00 C ATOM 717 O VAL A 50 1.518 0.297 -7.250 1.00 0.00 O ATOM 718 CB VAL A 50 3.375 2.636 -6.711 1.00 0.00 C ATOM 719 CG1 VAL A 50 4.773 2.353 -6.182 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.162 4.133 -6.884 1.00 0.00 C ATOM 0 H VAL A 50 1.245 2.126 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 50 4.071 1.847 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 50 2.648 2.277 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.925 2.895 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.885 1.284 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.512 2.678 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.340 4.638 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.855 4.515 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.138 4.320 -7.208 1.00 0.00 H new ATOM 730 N THR A 51 3.505 -0.502 -7.921 1.00 0.00 N ATOM 731 CA THR A 51 3.155 -1.892 -7.653 1.00 0.00 C ATOM 732 C THR A 51 3.906 -2.438 -6.445 1.00 0.00 C ATOM 733 O THR A 51 5.113 -2.254 -6.318 1.00 0.00 O ATOM 734 CB THR A 51 3.458 -2.749 -8.883 1.00 0.00 C ATOM 735 OG1 THR A 51 2.751 -3.976 -8.829 1.00 0.00 O ATOM 736 CG2 THR A 51 4.926 -3.074 -9.046 1.00 0.00 C ATOM 0 H THR A 51 4.447 -0.366 -8.288 1.00 0.00 H new ATOM 0 HA THR A 51 2.089 -1.932 -7.430 1.00 0.00 H new ATOM 0 HB THR A 51 3.141 -2.146 -9.734 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.958 -4.508 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.067 -3.684 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.495 -2.149 -9.145 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.276 -3.623 -8.172 1.00 0.00 H new ATOM 744 N LEU A 52 3.187 -3.135 -5.570 1.00 0.00 N ATOM 745 CA LEU A 52 3.811 -3.727 -4.391 1.00 0.00 C ATOM 746 C LEU A 52 4.245 -5.152 -4.687 1.00 0.00 C ATOM 747 O LEU A 52 3.580 -5.866 -5.440 1.00 0.00 O ATOM 748 CB LEU A 52 2.888 -3.723 -3.169 1.00 0.00 C ATOM 749 CG LEU A 52 1.410 -3.402 -3.400 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.233 -2.013 -3.994 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.760 -4.462 -4.270 1.00 0.00 C ATOM 0 H LEU A 52 2.184 -3.303 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 52 4.677 -3.110 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.949 -4.704 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.281 -3.001 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 52 0.908 -3.408 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.172 -1.815 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.647 -1.270 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.753 -1.957 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.291 -4.214 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.266 -4.502 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.837 -5.432 -3.780 1.00 0.00 H new ATOM 763 N LEU A 53 5.365 -5.565 -4.100 1.00 0.00 N ATOM 764 CA LEU A 53 5.867 -6.906 -4.331 1.00 0.00 C ATOM 765 C LEU A 53 5.757 -7.786 -3.088 1.00 0.00 C ATOM 766 O LEU A 53 6.281 -7.461 -2.022 1.00 0.00 O ATOM 767 CB LEU A 53 7.317 -6.859 -4.815 1.00 0.00 C ATOM 768 CG LEU A 53 7.632 -5.745 -5.814 1.00 0.00 C ATOM 769 CD1 LEU A 53 8.800 -4.902 -5.325 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.931 -6.330 -7.187 1.00 0.00 C ATOM 0 H LEU A 53 5.931 -4.996 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 53 5.243 -7.353 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.969 -6.744 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.562 -7.817 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 53 6.757 -5.100 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.009 -4.115 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.548 -4.453 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.681 -5.533 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.153 -5.523 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.790 -6.998 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.064 -6.888 -7.541 1.00 0.00 H new ATOM 782 N ALA A 54 5.083 -8.917 -3.251 1.00 0.00 N ATOM 783 CA ALA A 54 4.888 -9.880 -2.171 1.00 0.00 C ATOM 784 C ALA A 54 6.181 -10.177 -1.416 1.00 0.00 C ATOM 785 O ALA A 54 6.155 -10.836 -0.379 1.00 0.00 O ATOM 786 CB ALA A 54 4.309 -11.170 -2.728 1.00 0.00 C ATOM 0 H ALA A 54 4.656 -9.194 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 54 4.192 -9.434 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.166 -11.884 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.350 -10.963 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.995 -11.589 -3.464 1.00 0.00 H new ATOM 792 N SER A 55 7.309 -9.702 -1.930 1.00 0.00 N ATOM 793 CA SER A 55 8.589 -9.942 -1.278 1.00 0.00 C ATOM 794 C SER A 55 8.679 -9.153 0.011 1.00 0.00 C ATOM 795 O SER A 55 9.078 -9.679 1.049 1.00 0.00 O ATOM 796 CB SER A 55 9.747 -9.578 -2.206 1.00 0.00 C ATOM 797 OG SER A 55 9.849 -8.173 -2.370 1.00 0.00 O ATOM 0 H SER A 55 7.363 -9.153 -2.788 1.00 0.00 H new ATOM 0 HA SER A 55 8.660 -11.004 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.680 -9.968 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.601 -10.051 -3.177 1.00 0.00 H new ATOM 0 HG SER A 55 10.599 -7.967 -2.967 1.00 0.00 H new ATOM 803 N TYR A 56 8.281 -7.892 -0.050 1.00 0.00 N ATOM 804 CA TYR A 56 8.292 -7.037 1.119 1.00 0.00 C ATOM 805 C TYR A 56 7.109 -7.384 1.996 1.00 0.00 C ATOM 806 O TYR A 56 7.247 -7.726 3.173 1.00 0.00 O ATOM 807 CB TYR A 56 8.197 -5.570 0.714 1.00 0.00 C ATOM 808 CG TYR A 56 7.820 -4.657 1.861 1.00 0.00 C ATOM 809 CD1 TYR A 56 8.620 -4.567 2.992 1.00 0.00 C ATOM 810 CD2 TYR A 56 6.665 -3.886 1.812 1.00 0.00 C ATOM 811 CE1 TYR A 56 8.283 -3.736 4.042 1.00 0.00 C ATOM 812 CE2 TYR A 56 6.322 -3.052 2.858 1.00 0.00 C ATOM 813 CZ TYR A 56 7.132 -2.980 3.971 1.00 0.00 C ATOM 814 OH TYR A 56 6.791 -2.149 5.013 1.00 0.00 O ATOM 0 H TYR A 56 7.946 -7.440 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 56 9.226 -7.193 1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.155 -5.250 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.459 -5.467 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.522 -5.158 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.026 -3.940 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.917 -3.678 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.422 -2.458 2.804 1.00 0.00 H new ATOM 0 HH TYR A 56 7.141 -2.515 5.852 1.00 0.00 H new ATOM 824 N LEU A 57 5.941 -7.286 1.391 1.00 0.00 N ATOM 825 CA LEU A 57 4.700 -7.580 2.077 1.00 0.00 C ATOM 826 C LEU A 57 4.786 -8.910 2.810 1.00 0.00 C ATOM 827 O LEU A 57 4.311 -9.040 3.936 1.00 0.00 O ATOM 828 CB LEU A 57 3.538 -7.593 1.085 1.00 0.00 C ATOM 829 CG LEU A 57 2.314 -6.807 1.538 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.716 -5.424 2.021 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.298 -6.696 0.412 1.00 0.00 C ATOM 0 H LEU A 57 5.827 -7.003 0.418 1.00 0.00 H new ATOM 0 HA LEU A 57 4.524 -6.797 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.884 -7.187 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.244 -8.627 0.902 1.00 0.00 H new ATOM 0 HG LEU A 57 1.854 -7.345 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.828 -4.878 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.406 -5.518 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.203 -4.883 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.432 -6.131 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.750 -6.184 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.982 -7.694 0.107 1.00 0.00 H new ATOM 843 N ASN A 58 5.405 -9.898 2.170 1.00 0.00 N ATOM 844 CA ASN A 58 5.551 -11.208 2.788 1.00 0.00 C ATOM 845 C ASN A 58 6.456 -11.123 4.013 1.00 0.00 C ATOM 846 O ASN A 58 6.360 -11.938 4.929 1.00 0.00 O ATOM 847 CB ASN A 58 6.124 -12.217 1.788 1.00 0.00 C ATOM 848 CG ASN A 58 6.450 -13.552 2.426 1.00 0.00 C ATOM 849 OD1 ASN A 58 7.387 -14.236 2.015 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.676 -13.934 3.436 1.00 0.00 N ATOM 0 H ASN A 58 5.808 -9.817 1.236 1.00 0.00 H new ATOM 0 HA ASN A 58 4.563 -11.546 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.407 -12.370 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.027 -11.804 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.848 -14.825 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.909 -13.336 3.745 1.00 0.00 H new ATOM 857 N THR A 59 7.343 -10.130 4.013 1.00 0.00 N ATOM 858 CA THR A 59 8.277 -9.937 5.115 1.00 0.00 C ATOM 859 C THR A 59 7.650 -9.129 6.243 1.00 0.00 C ATOM 860 O THR A 59 8.055 -9.247 7.399 1.00 0.00 O ATOM 861 CB THR A 59 9.545 -9.242 4.618 1.00 0.00 C ATOM 862 OG1 THR A 59 10.060 -9.895 3.471 1.00 0.00 O ATOM 863 CG2 THR A 59 10.648 -9.200 5.654 1.00 0.00 C ATOM 0 H THR A 59 7.433 -9.447 3.261 1.00 0.00 H new ATOM 0 HA THR A 59 8.535 -10.921 5.508 1.00 0.00 H new ATOM 0 HB THR A 59 9.243 -8.220 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.561 -9.607 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.519 -8.694 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.300 -8.659 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.920 -10.217 5.937 1.00 0.00 H new ATOM 871 N LEU A 60 6.666 -8.303 5.903 1.00 0.00 N ATOM 872 CA LEU A 60 5.986 -7.468 6.891 1.00 0.00 C ATOM 873 C LEU A 60 5.804 -8.204 8.219 1.00 0.00 C ATOM 874 O LEU A 60 5.812 -9.435 8.265 1.00 0.00 O ATOM 875 CB LEU A 60 4.623 -7.024 6.363 1.00 0.00 C ATOM 876 CG LEU A 60 4.629 -5.748 5.520 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.228 -5.169 5.443 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.595 -4.722 6.096 1.00 0.00 C ATOM 0 H LEU A 60 6.320 -8.193 4.950 1.00 0.00 H new ATOM 0 HA LEU A 60 6.612 -6.594 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.203 -7.833 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.955 -6.876 7.211 1.00 0.00 H new ATOM 0 HG LEU A 60 4.964 -6.001 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.242 -4.261 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.558 -5.897 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.876 -4.933 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.582 -3.823 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.294 -4.469 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.602 -5.138 6.109 1.00 0.00 H new ATOM 890 N PRO A 61 5.637 -7.450 9.318 1.00 0.00 N ATOM 891 CA PRO A 61 5.456 -8.019 10.660 1.00 0.00 C ATOM 892 C PRO A 61 4.224 -8.913 10.754 1.00 0.00 C ATOM 893 O PRO A 61 3.620 -9.269 9.742 1.00 0.00 O ATOM 894 CB PRO A 61 5.289 -6.788 11.557 1.00 0.00 C ATOM 895 CG PRO A 61 5.873 -5.657 10.782 1.00 0.00 C ATOM 896 CD PRO A 61 5.623 -5.977 9.336 1.00 0.00 C ATOM 0 HA PRO A 61 6.294 -8.657 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.239 -6.607 11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.804 -6.921 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.407 -4.712 11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.940 -5.557 10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.668 -5.578 8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.394 -5.558 8.690 1.00 0.00 H new ATOM 904 N GLU A 62 3.862 -9.276 11.983 1.00 0.00 N ATOM 905 CA GLU A 62 2.707 -10.132 12.226 1.00 0.00 C ATOM 906 C GLU A 62 1.409 -9.403 11.936 1.00 0.00 C ATOM 907 O GLU A 62 1.410 -8.316 11.372 1.00 0.00 O ATOM 908 CB GLU A 62 2.713 -10.626 13.674 1.00 0.00 C ATOM 909 CG GLU A 62 2.386 -9.542 14.687 1.00 0.00 C ATOM 910 CD GLU A 62 3.262 -9.618 15.922 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.479 -9.359 15.803 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.732 -9.933 17.009 1.00 0.00 O ATOM 0 H GLU A 62 4.356 -8.988 12.828 1.00 0.00 H new ATOM 0 HA GLU A 62 2.775 -10.986 11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.991 -11.437 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.694 -11.042 13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.506 -8.565 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.340 -9.628 14.982 1.00 0.00 H new ATOM 919 N ASN A 63 0.308 -10.042 12.316 1.00 0.00 N ATOM 920 CA ASN A 63 -1.019 -9.514 12.106 1.00 0.00 C ATOM 921 C ASN A 63 -1.079 -8.009 12.349 1.00 0.00 C ATOM 922 O ASN A 63 -1.686 -7.549 13.316 1.00 0.00 O ATOM 923 CB ASN A 63 -2.018 -10.225 13.020 1.00 0.00 C ATOM 924 CG ASN A 63 -1.596 -10.187 14.477 1.00 0.00 C ATOM 925 OD1 ASN A 63 -0.579 -10.768 14.856 1.00 0.00 O ATOM 926 ND2 ASN A 63 -2.380 -9.503 15.301 1.00 0.00 N ATOM 0 H ASN A 63 0.321 -10.949 12.782 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.281 -9.694 11.063 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.998 -9.759 12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.123 -11.262 12.702 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.149 -9.443 16.293 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.213 -9.037 14.943 1.00 0.00 H new ATOM 933 N THR A 64 -0.441 -7.248 11.470 1.00 0.00 N ATOM 934 CA THR A 64 -0.417 -5.794 11.592 1.00 0.00 C ATOM 935 C THR A 64 -1.155 -5.131 10.433 1.00 0.00 C ATOM 936 O THR A 64 -1.185 -5.660 9.320 1.00 0.00 O ATOM 937 CB THR A 64 1.019 -5.289 11.644 1.00 0.00 C ATOM 938 OG1 THR A 64 1.790 -5.858 10.600 1.00 0.00 O ATOM 939 CG2 THR A 64 1.716 -5.598 12.952 1.00 0.00 C ATOM 0 H THR A 64 0.067 -7.612 10.664 1.00 0.00 H new ATOM 0 HA THR A 64 -0.925 -5.530 12.520 1.00 0.00 H new ATOM 0 HB THR A 64 0.948 -4.207 11.537 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.102 -6.747 10.871 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.735 -5.211 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.174 -5.129 13.773 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.742 -6.677 13.104 1.00 0.00 H new ATOM 947 N THR A 65 -1.742 -3.969 10.702 1.00 0.00 N ATOM 948 CA THR A 65 -2.472 -3.229 9.683 1.00 0.00 C ATOM 949 C THR A 65 -1.523 -2.350 8.879 1.00 0.00 C ATOM 950 O THR A 65 -1.435 -1.142 9.104 1.00 0.00 O ATOM 951 CB THR A 65 -3.549 -2.365 10.327 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.883 -2.854 11.614 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.822 -2.287 9.515 1.00 0.00 C ATOM 0 H THR A 65 -1.725 -3.521 11.618 1.00 0.00 H new ATOM 0 HA THR A 65 -2.943 -3.947 9.012 1.00 0.00 H new ATOM 0 HB THR A 65 -3.118 -1.365 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.575 -2.284 12.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.545 -1.656 10.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.603 -1.861 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.236 -3.288 9.391 1.00 0.00 H new ATOM 961 N LYS A 66 -0.823 -2.963 7.942 1.00 0.00 N ATOM 962 CA LYS A 66 0.113 -2.252 7.092 1.00 0.00 C ATOM 963 C LYS A 66 -0.621 -1.264 6.202 1.00 0.00 C ATOM 964 O LYS A 66 -1.429 -1.663 5.374 1.00 0.00 O ATOM 965 CB LYS A 66 0.906 -3.256 6.250 1.00 0.00 C ATOM 966 CG LYS A 66 1.372 -2.728 4.904 1.00 0.00 C ATOM 967 CD LYS A 66 2.607 -1.860 5.049 1.00 0.00 C ATOM 968 CE LYS A 66 3.279 -1.622 3.710 1.00 0.00 C ATOM 969 NZ LYS A 66 3.193 -2.810 2.815 1.00 0.00 N ATOM 0 H LYS A 66 -0.887 -3.963 7.750 1.00 0.00 H new ATOM 0 HA LYS A 66 0.807 -1.689 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.777 -3.579 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.288 -4.139 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.589 -3.564 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.572 -2.151 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.331 -0.904 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.311 -2.338 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.815 -0.766 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.326 -1.367 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.605 -2.578 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.717 -3.602 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.196 -3.081 2.692 1.00 0.00 H new ATOM 983 N THR A 67 -0.356 0.015 6.378 1.00 0.00 N ATOM 984 CA THR A 67 -1.023 1.036 5.582 1.00 0.00 C ATOM 985 C THR A 67 -0.099 1.614 4.524 1.00 0.00 C ATOM 986 O THR A 67 0.967 2.126 4.833 1.00 0.00 O ATOM 987 CB THR A 67 -1.537 2.147 6.486 1.00 0.00 C ATOM 988 OG1 THR A 67 -2.430 2.994 5.787 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.435 3.013 7.059 1.00 0.00 C ATOM 0 H THR A 67 0.312 0.375 7.060 1.00 0.00 H new ATOM 0 HA THR A 67 -1.862 0.564 5.071 1.00 0.00 H new ATOM 0 HB THR A 67 -2.040 1.637 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.439 2.749 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.871 3.784 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.242 2.396 7.650 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.119 3.482 6.246 1.00 0.00 H new ATOM 997 N LEU A 68 -0.541 1.553 3.273 1.00 0.00 N ATOM 998 CA LEU A 68 0.225 2.089 2.159 1.00 0.00 C ATOM 999 C LEU A 68 -0.072 3.572 1.999 1.00 0.00 C ATOM 1000 O LEU A 68 -1.133 3.941 1.496 1.00 0.00 O ATOM 1001 CB LEU A 68 -0.109 1.336 0.870 1.00 0.00 C ATOM 1002 CG LEU A 68 1.071 0.670 0.170 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.244 -0.752 0.667 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.872 0.688 -1.332 1.00 0.00 C ATOM 0 H LEU A 68 -1.432 1.134 3.006 1.00 0.00 H new ATOM 0 HA LEU A 68 1.288 1.960 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.851 0.571 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.575 2.033 0.174 1.00 0.00 H new ATOM 0 HG LEU A 68 1.976 1.230 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.090 -1.215 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.428 -0.742 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.339 -1.323 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.722 0.209 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.041 0.149 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.791 1.719 -1.676 1.00 0.00 H new ATOM 1016 N THR A 69 0.839 4.429 2.449 1.00 0.00 N ATOM 1017 CA THR A 69 0.610 5.868 2.362 1.00 0.00 C ATOM 1018 C THR A 69 1.459 6.517 1.272 1.00 0.00 C ATOM 1019 O THR A 69 2.624 6.845 1.492 1.00 0.00 O ATOM 1020 CB THR A 69 0.899 6.532 3.708 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.708 5.612 4.769 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.023 7.736 3.981 1.00 0.00 C ATOM 0 H THR A 69 1.728 4.160 2.871 1.00 0.00 H new ATOM 0 HA THR A 69 -0.438 6.015 2.099 1.00 0.00 H new ATOM 0 HB THR A 69 1.936 6.863 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.899 6.053 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.279 8.160 4.952 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.181 8.485 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.024 7.431 3.983 1.00 0.00 H new ATOM 1030 N PHE A 70 0.862 6.712 0.102 1.00 0.00 N ATOM 1031 CA PHE A 70 1.552 7.333 -1.012 1.00 0.00 C ATOM 1032 C PHE A 70 1.688 8.835 -0.789 1.00 0.00 C ATOM 1033 O PHE A 70 0.695 9.564 -0.778 1.00 0.00 O ATOM 1034 CB PHE A 70 0.778 7.060 -2.302 1.00 0.00 C ATOM 1035 CG PHE A 70 0.557 5.599 -2.579 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.454 4.905 -1.941 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.361 4.922 -3.482 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.663 3.562 -2.198 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.156 3.579 -3.743 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.141 2.900 -3.100 1.00 0.00 C ATOM 0 H PHE A 70 -0.103 6.446 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 70 2.553 6.909 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.189 7.560 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.318 7.501 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.088 5.418 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.157 5.449 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.456 3.032 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.789 3.063 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.023 1.852 -3.303 1.00 0.00 H new ATOM 1050 N ASP A 71 2.921 9.297 -0.606 1.00 0.00 N ATOM 1051 CA ASP A 71 3.167 10.713 -0.378 1.00 0.00 C ATOM 1052 C ASP A 71 2.894 11.524 -1.632 1.00 0.00 C ATOM 1053 O ASP A 71 3.713 11.587 -2.548 1.00 0.00 O ATOM 1054 CB ASP A 71 4.601 10.942 0.075 1.00 0.00 C ATOM 1055 CG ASP A 71 4.915 12.409 0.296 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.974 13.179 0.583 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.099 12.787 0.181 1.00 0.00 O ATOM 0 H ASP A 71 3.759 8.715 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 71 2.487 11.043 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.778 10.393 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.283 10.537 -0.672 1.00 0.00 H new ATOM 1062 N PHE A 72 1.727 12.145 -1.655 1.00 0.00 N ATOM 1063 CA PHE A 72 1.309 12.968 -2.782 1.00 0.00 C ATOM 1064 C PHE A 72 1.540 14.444 -2.487 1.00 0.00 C ATOM 1065 O PHE A 72 0.875 15.313 -3.048 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.168 12.733 -3.089 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.410 11.883 -4.306 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.187 12.387 -5.577 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.865 10.583 -4.175 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.411 11.608 -6.695 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.093 9.799 -5.288 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.866 10.312 -6.550 1.00 0.00 C ATOM 0 H PHE A 72 1.045 12.095 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 72 1.907 12.685 -3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.637 12.258 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.658 13.697 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.166 13.401 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.044 10.177 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.231 12.011 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.448 8.786 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.044 9.701 -7.422 1.00 0.00 H new ATOM 1082 N GLY A 73 2.479 14.725 -1.588 1.00 0.00 N ATOM 1083 CA GLY A 73 2.771 16.097 -1.227 1.00 0.00 C ATOM 1084 C GLY A 73 1.732 16.684 -0.288 1.00 0.00 C ATOM 1085 O GLY A 73 1.924 17.774 0.249 1.00 0.00 O ATOM 0 H GLY A 73 3.042 14.025 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.752 16.144 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.824 16.704 -2.131 1.00 0.00 H new ATOM 1089 N VAL A 74 0.634 15.960 -0.094 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.430 16.408 0.783 1.00 0.00 C ATOM 1091 C VAL A 74 -0.886 15.279 1.696 1.00 0.00 C ATOM 1092 O VAL A 74 -2.079 14.993 1.804 1.00 0.00 O ATOM 1093 CB VAL A 74 -1.640 16.926 -0.014 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.298 18.232 -0.714 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.106 15.881 -1.014 1.00 0.00 C ATOM 0 H VAL A 74 0.462 15.057 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.027 17.225 1.381 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.457 17.118 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.165 18.583 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.017 18.980 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.466 18.070 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.962 16.265 -1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.296 15.655 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.394 14.973 -0.484 1.00 0.00 H new ATOM 1105 N GLY A 75 0.074 14.635 2.350 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.224 13.534 3.252 1.00 0.00 C ATOM 1107 C GLY A 75 -1.481 13.763 4.067 1.00 0.00 C ATOM 1108 O GLY A 75 -2.152 12.811 4.468 1.00 0.00 O ATOM 0 H GLY A 75 1.066 14.858 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.334 12.617 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.619 13.386 3.927 1.00 0.00 H new ATOM 1112 N THR A 76 -1.801 15.027 4.313 1.00 0.00 N ATOM 1113 CA THR A 76 -2.985 15.391 5.086 1.00 0.00 C ATOM 1114 C THR A 76 -4.169 14.496 4.734 1.00 0.00 C ATOM 1115 O THR A 76 -4.874 14.005 5.617 1.00 0.00 O ATOM 1116 CB THR A 76 -3.349 16.853 4.829 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.307 17.712 5.259 1.00 0.00 O ATOM 1118 CG2 THR A 76 -4.620 17.286 5.529 1.00 0.00 C ATOM 0 H THR A 76 -1.254 15.823 3.986 1.00 0.00 H new ATOM 0 HA THR A 76 -2.754 15.254 6.142 1.00 0.00 H new ATOM 0 HB THR A 76 -3.503 16.927 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.558 18.643 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.820 18.334 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.453 16.675 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.503 17.162 6.606 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.380 14.285 3.439 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.469 13.450 2.966 1.00 0.00 C ATOM 1128 C LYS A 77 -5.029 12.598 1.780 1.00 0.00 C ATOM 1129 O LYS A 77 -5.858 12.023 1.075 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.674 14.309 2.580 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.034 15.357 3.621 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.455 15.862 3.435 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.545 16.877 2.309 1.00 0.00 C ATOM 1134 NZ LYS A 77 -8.573 16.222 0.972 1.00 0.00 N ATOM 0 H LYS A 77 -3.805 14.685 2.697 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.758 12.783 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.466 14.807 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.535 13.660 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.925 14.932 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.338 16.193 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.115 15.021 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.805 16.315 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.443 17.481 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.694 17.556 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.263 16.706 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.629 16.278 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.846 15.224 1.080 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.720 12.527 1.566 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.160 11.754 0.475 1.00 0.00 C ATOM 1150 C ASN A 78 -3.749 10.347 0.429 1.00 0.00 C ATOM 1151 O ASN A 78 -4.167 9.801 1.452 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.643 11.700 0.638 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.189 10.623 1.607 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.977 10.118 2.406 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.083 10.268 1.542 1.00 0.00 N ATOM 0 H ASN A 78 -3.025 13.002 2.142 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.412 12.237 -0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.185 11.523 -0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.286 12.669 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.445 9.550 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.702 10.712 0.864 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.791 9.737 -0.760 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.331 8.386 -0.938 1.00 0.00 C ATOM 1164 C PRO A 79 -3.566 7.343 -0.131 1.00 0.00 C ATOM 1165 O PRO A 79 -2.513 6.861 -0.552 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.170 8.114 -2.437 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.177 9.113 -2.921 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.316 10.314 -2.026 1.00 0.00 C ATOM 0 HA PRO A 79 -5.362 8.323 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.822 7.097 -2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.121 8.222 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.166 8.709 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.368 9.379 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.366 10.834 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.025 11.037 -2.430 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.109 6.993 1.023 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.490 6.000 1.890 1.00 0.00 C ATOM 1178 C LYS A 80 -4.396 4.781 2.021 1.00 0.00 C ATOM 1179 O LYS A 80 -5.609 4.919 2.195 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.210 6.596 3.271 1.00 0.00 C ATOM 1181 CG LYS A 80 -4.284 7.559 3.748 1.00 0.00 C ATOM 1182 CD LYS A 80 -5.579 6.831 4.073 1.00 0.00 C ATOM 1183 CE LYS A 80 -6.312 7.492 5.232 1.00 0.00 C ATOM 1184 NZ LYS A 80 -5.622 7.252 6.530 1.00 0.00 N ATOM 0 H LYS A 80 -4.980 7.382 1.384 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.544 5.692 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.113 5.786 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.253 7.117 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.932 8.090 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.470 8.309 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.222 6.819 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.362 5.793 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.385 8.565 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.331 7.107 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.275 7.456 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.318 6.259 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.791 7.873 6.601 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.814 3.589 1.938 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.590 2.367 2.049 1.00 0.00 C ATOM 1200 C LEU A 81 -4.195 1.592 3.301 1.00 0.00 C ATOM 1201 O LEU A 81 -3.096 1.770 3.826 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.417 1.498 0.799 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.213 0.559 0.817 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.626 -0.823 1.287 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.572 0.488 -0.554 1.00 0.00 C ATOM 0 H LEU A 81 -2.814 3.447 1.795 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.642 2.638 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.319 0.902 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.334 2.152 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.477 0.955 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.756 -1.480 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.039 -0.757 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.380 -1.227 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.716 -0.186 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.299 0.116 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.240 1.482 -0.852 1.00 0.00 H new ATOM 1217 N THR A 82 -5.098 0.744 3.784 1.00 0.00 N ATOM 1218 CA THR A 82 -4.829 -0.029 4.986 1.00 0.00 C ATOM 1219 C THR A 82 -4.844 -1.531 4.714 1.00 0.00 C ATOM 1220 O THR A 82 -5.893 -2.177 4.765 1.00 0.00 O ATOM 1221 CB THR A 82 -5.848 0.307 6.073 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.907 -0.716 7.047 1.00 0.00 O ATOM 1223 CG2 THR A 82 -7.249 0.517 5.541 1.00 0.00 C ATOM 0 H THR A 82 -6.013 0.577 3.365 1.00 0.00 H new ATOM 0 HA THR A 82 -3.829 0.241 5.326 1.00 0.00 H new ATOM 0 HB THR A 82 -5.499 1.243 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.565 -0.477 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.920 0.752 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.248 1.342 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.589 -0.391 5.044 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.665 -2.081 4.442 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.522 -3.508 4.189 1.00 0.00 C ATOM 1233 C ILE A 83 -3.026 -4.229 5.445 1.00 0.00 C ATOM 1234 O ILE A 83 -1.958 -3.921 5.980 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.557 -3.784 3.013 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.441 -5.288 2.758 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.187 -3.185 3.280 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.595 -5.632 1.550 1.00 0.00 C ATOM 0 H ILE A 83 -2.792 -1.556 4.391 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.506 -3.891 3.919 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.967 -3.309 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.013 -5.766 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.439 -5.704 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.528 -3.394 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.280 -2.107 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.768 -3.624 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.556 -6.715 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.034 -5.183 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.585 -5.246 1.691 1.00 0.00 H new ATOM 1250 N THR A 84 -3.820 -5.180 5.924 1.00 0.00 N ATOM 1251 CA THR A 84 -3.474 -5.932 7.123 1.00 0.00 C ATOM 1252 C THR A 84 -2.803 -7.250 6.766 1.00 0.00 C ATOM 1253 O THR A 84 -3.393 -8.098 6.096 1.00 0.00 O ATOM 1254 CB THR A 84 -4.726 -6.195 7.963 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.452 -4.997 8.171 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.419 -6.787 9.320 1.00 0.00 C ATOM 0 H THR A 84 -4.708 -5.448 5.500 1.00 0.00 H new ATOM 0 HA THR A 84 -2.771 -5.335 7.705 1.00 0.00 H new ATOM 0 HB THR A 84 -5.311 -6.916 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.249 -5.187 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.349 -6.949 9.865 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.902 -7.738 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.785 -6.101 9.881 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.566 -7.417 7.219 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.813 -8.633 6.949 1.00 0.00 C ATOM 1266 C VAL A 85 -0.712 -9.501 8.195 1.00 0.00 C ATOM 1267 O VAL A 85 -0.383 -9.018 9.278 1.00 0.00 O ATOM 1268 CB VAL A 85 0.595 -8.314 6.440 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.276 -7.305 7.352 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.427 -9.582 6.322 1.00 0.00 C ATOM 0 H VAL A 85 -1.064 -6.725 7.775 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.353 -9.178 6.175 1.00 0.00 H new ATOM 0 HB VAL A 85 0.508 -7.874 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.276 -7.090 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.692 -6.385 7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.349 -7.716 8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.423 -9.331 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.506 -10.057 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.948 -10.268 5.623 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.000 -10.787 8.030 1.00 0.00 N ATOM 1281 CA LEU A 86 -0.942 -11.731 9.142 1.00 0.00 C ATOM 1282 C LEU A 86 -0.356 -13.068 8.703 1.00 0.00 C ATOM 1283 O LEU A 86 -1.066 -13.933 8.196 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.339 -11.942 9.731 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.276 -10.739 9.623 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -3.945 -10.704 8.256 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.318 -10.778 10.728 1.00 0.00 C ATOM 0 H LEU A 86 -1.276 -11.200 7.139 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.290 -11.308 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.804 -12.791 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.236 -12.210 10.783 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.686 -9.830 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.608 -9.841 8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.183 -10.629 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.523 -11.616 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.977 -9.915 10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.904 -11.693 10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.821 -10.754 11.698 1.00 0.00 H new