USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=28 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 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 ASN : amide:sc= -5.36! C(o=-5.4!,f=-8.1!) USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -0.426 USER MOD Set 2.2: A 42 GLN : amide:sc= -0.964 K(o=-1.4,f=0.79) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -17.5! C(o=-18!,f=-23!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 40:sc= -1.52 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 56:sc= -2.64! USER MOD Single : A 21 THR OG1 : rot -3:sc= 0.382 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 100:sc= 0.93 USER MOD Single : A 28 ASN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 30 ASN : amide:sc= -8.29! C(o=-8.3!,f=-8.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00262 X(o=-0.0026,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 15:sc= -0.118 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0305) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -153:sc= -6.2! USER MOD Single : A 58 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6.1!) USER MOD Single : A 59 THR OG1 : rot -97:sc= -0.482 USER MOD Single : A 63 ASN : amide:sc= -0.803! X(o=-0.8!,f=-0.96) USER MOD Single : A 64 THR OG1 : rot -78:sc= -1.5! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0.0992 (180deg=-3.47!) USER MOD Single : A 67 THR OG1 : rot 8:sc= 0.191 USER MOD Single : A 69 THR OG1 : rot 86:sc= 0.465 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.46! C(o=-5.5!,f=-16!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 67:sc= 0.914 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.519 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.760 16.648 -4.639 1.00 0.00 N ATOM 38 CA ASP A 3 -6.713 15.557 -4.481 1.00 0.00 C ATOM 39 C ASP A 3 -6.426 14.432 -5.472 1.00 0.00 C ATOM 40 O ASP A 3 -7.026 14.368 -6.546 1.00 0.00 O ATOM 41 CB ASP A 3 -8.142 16.070 -4.675 1.00 0.00 C ATOM 42 CG ASP A 3 -8.335 16.748 -6.017 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.632 17.747 -6.284 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.188 16.284 -6.800 1.00 0.00 O ATOM 0 HA ASP A 3 -6.608 15.161 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.839 15.237 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.384 16.773 -3.878 1.00 0.00 H new ATOM 49 N PRO A 4 -5.501 13.525 -5.119 1.00 0.00 N ATOM 50 CA PRO A 4 -5.134 12.395 -5.977 1.00 0.00 C ATOM 51 C PRO A 4 -6.214 11.324 -6.001 1.00 0.00 C ATOM 52 O PRO A 4 -6.975 11.177 -5.045 1.00 0.00 O ATOM 53 CB PRO A 4 -3.862 11.859 -5.321 1.00 0.00 C ATOM 54 CG PRO A 4 -3.993 12.228 -3.885 1.00 0.00 C ATOM 55 CD PRO A 4 -4.744 13.533 -3.855 1.00 0.00 C ATOM 0 HA PRO A 4 -5.001 12.691 -7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.777 10.780 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.971 12.303 -5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.530 11.457 -3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.013 12.331 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.406 13.595 -2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.066 14.385 -3.799 1.00 0.00 H new ATOM 63 N THR A 5 -6.281 10.571 -7.095 1.00 0.00 N ATOM 64 CA THR A 5 -7.280 9.515 -7.218 1.00 0.00 C ATOM 65 C THR A 5 -6.624 8.177 -7.526 1.00 0.00 C ATOM 66 O THR A 5 -6.667 7.694 -8.654 1.00 0.00 O ATOM 67 CB THR A 5 -8.295 9.855 -8.302 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.923 11.097 -8.033 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.379 8.809 -8.441 1.00 0.00 C ATOM 0 H THR A 5 -5.663 10.670 -7.900 1.00 0.00 H new ATOM 0 HA THR A 5 -7.798 9.437 -6.262 1.00 0.00 H new ATOM 0 HB THR A 5 -7.728 9.899 -9.232 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.569 11.297 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.072 9.106 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.929 7.850 -8.697 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.918 8.716 -7.498 1.00 0.00 H new ATOM 77 N ILE A 6 -6.014 7.590 -6.513 1.00 0.00 N ATOM 78 CA ILE A 6 -5.338 6.315 -6.677 1.00 0.00 C ATOM 79 C ILE A 6 -6.167 5.163 -6.121 1.00 0.00 C ATOM 80 O ILE A 6 -7.339 5.327 -5.779 1.00 0.00 O ATOM 81 CB ILE A 6 -3.943 6.336 -5.995 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.997 5.772 -4.573 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.385 7.754 -5.972 1.00 0.00 C ATOM 84 CD1 ILE A 6 -5.095 6.358 -3.720 1.00 0.00 C ATOM 0 H ILE A 6 -5.972 7.974 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.208 6.157 -7.748 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.283 5.698 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.131 4.692 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.038 5.951 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.407 7.752 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.287 8.123 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.062 8.402 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.066 5.906 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.952 7.435 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.061 6.156 -4.182 1.00 0.00 H new ATOM 96 N ASN A 7 -5.535 4.001 -6.024 1.00 0.00 N ATOM 97 CA ASN A 7 -6.169 2.800 -5.500 1.00 0.00 C ATOM 98 C ASN A 7 -6.927 3.081 -4.209 1.00 0.00 C ATOM 99 O ASN A 7 -7.009 4.222 -3.755 1.00 0.00 O ATOM 100 CB ASN A 7 -5.098 1.739 -5.271 1.00 0.00 C ATOM 101 CG ASN A 7 -4.249 2.045 -4.051 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.519 1.557 -2.954 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.218 2.862 -4.241 1.00 0.00 N ATOM 0 H ASN A 7 -4.565 3.865 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.899 2.443 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.572 0.765 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.458 1.673 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.612 3.108 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.033 3.242 -5.169 1.00 0.00 H new ATOM 110 N PRO A 8 -7.509 2.034 -3.609 1.00 0.00 N ATOM 111 CA PRO A 8 -8.280 2.153 -2.381 1.00 0.00 C ATOM 112 C PRO A 8 -7.404 2.462 -1.175 1.00 0.00 C ATOM 113 O PRO A 8 -6.341 3.067 -1.309 1.00 0.00 O ATOM 114 CB PRO A 8 -8.957 0.781 -2.229 1.00 0.00 C ATOM 115 CG PRO A 8 -8.750 0.093 -3.537 1.00 0.00 C ATOM 116 CD PRO A 8 -7.472 0.650 -4.085 1.00 0.00 C ATOM 0 HA PRO A 8 -8.991 2.978 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.514 0.212 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.018 0.889 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.683 -0.987 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.582 0.281 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.600 0.114 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.437 0.594 -5.173 1.00 0.00 H new ATOM 124 N THR A 9 -7.857 2.053 0.000 1.00 0.00 N ATOM 125 CA THR A 9 -7.104 2.305 1.222 1.00 0.00 C ATOM 126 C THR A 9 -7.183 1.137 2.205 1.00 0.00 C ATOM 127 O THR A 9 -6.571 1.179 3.272 1.00 0.00 O ATOM 128 CB THR A 9 -7.613 3.585 1.889 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.294 4.720 1.103 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.045 3.814 3.275 1.00 0.00 C ATOM 0 H THR A 9 -8.734 1.550 0.135 1.00 0.00 H new ATOM 0 HA THR A 9 -6.057 2.422 0.943 1.00 0.00 H new ATOM 0 HB THR A 9 -8.691 3.451 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.629 5.528 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.450 4.739 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.317 2.980 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.959 3.888 3.216 1.00 0.00 H new ATOM 138 N SER A 10 -7.939 0.096 1.863 1.00 0.00 N ATOM 139 CA SER A 10 -8.075 -1.044 2.760 1.00 0.00 C ATOM 140 C SER A 10 -7.972 -2.378 2.024 1.00 0.00 C ATOM 141 O SER A 10 -8.759 -2.670 1.123 1.00 0.00 O ATOM 142 CB SER A 10 -9.406 -0.970 3.508 1.00 0.00 C ATOM 143 OG SER A 10 -9.216 -1.092 4.905 1.00 0.00 O ATOM 0 H SER A 10 -8.457 0.020 0.988 1.00 0.00 H new ATOM 0 HA SER A 10 -7.248 -0.994 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.898 -0.023 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.067 -1.762 3.158 1.00 0.00 H new ATOM 0 HG SER A 10 -10.083 -1.040 5.359 1.00 0.00 H new ATOM 149 N ILE A 11 -7.000 -3.191 2.433 1.00 0.00 N ATOM 150 CA ILE A 11 -6.781 -4.501 1.853 1.00 0.00 C ATOM 151 C ILE A 11 -5.988 -5.380 2.810 1.00 0.00 C ATOM 152 O ILE A 11 -4.979 -4.947 3.370 1.00 0.00 O ATOM 153 CB ILE A 11 -6.011 -4.404 0.530 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.610 -3.837 0.763 1.00 0.00 C ATOM 155 CG2 ILE A 11 -6.775 -3.557 -0.472 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.573 -4.897 1.060 1.00 0.00 C ATOM 0 H ILE A 11 -6.345 -2.953 3.178 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.761 -4.939 1.666 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.908 -5.408 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.302 -3.276 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.645 -3.132 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.213 -3.500 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.749 -4.009 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.913 -2.553 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.603 -4.424 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.858 -5.443 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.509 -5.589 0.220 1.00 0.00 H new ATOM 168 N SER A 12 -6.431 -6.620 2.998 1.00 0.00 N ATOM 169 CA SER A 12 -5.728 -7.532 3.888 1.00 0.00 C ATOM 170 C SER A 12 -5.317 -8.799 3.180 1.00 0.00 C ATOM 171 O SER A 12 -5.821 -9.144 2.112 1.00 0.00 O ATOM 172 CB SER A 12 -6.559 -7.900 5.104 1.00 0.00 C ATOM 173 OG SER A 12 -5.894 -8.868 5.900 1.00 0.00 O ATOM 0 H SER A 12 -7.261 -7.010 2.552 1.00 0.00 H new ATOM 0 HA SER A 12 -4.837 -6.997 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.755 -7.008 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.526 -8.289 4.784 1.00 0.00 H new ATOM 0 HG SER A 12 -4.937 -8.661 5.935 1.00 0.00 H new ATOM 179 N ALA A 13 -4.391 -9.479 3.815 1.00 0.00 N ATOM 180 CA ALA A 13 -3.859 -10.732 3.308 1.00 0.00 C ATOM 181 C ALA A 13 -2.935 -11.369 4.337 1.00 0.00 C ATOM 182 O ALA A 13 -2.260 -10.663 5.087 1.00 0.00 O ATOM 183 CB ALA A 13 -3.124 -10.495 1.996 1.00 0.00 C ATOM 0 H ALA A 13 -3.981 -9.182 4.701 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.686 -11.418 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.729 -11.440 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.814 -10.077 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.302 -9.798 2.160 1.00 0.00 H new ATOM 189 N LYS A 14 -2.870 -12.694 4.359 1.00 0.00 N ATOM 190 CA LYS A 14 -1.975 -13.373 5.285 1.00 0.00 C ATOM 191 C LYS A 14 -0.543 -13.143 4.821 1.00 0.00 C ATOM 192 O LYS A 14 -0.240 -13.319 3.645 1.00 0.00 O ATOM 193 CB LYS A 14 -2.291 -14.870 5.352 1.00 0.00 C ATOM 194 CG LYS A 14 -1.172 -15.708 5.949 1.00 0.00 C ATOM 195 CD LYS A 14 -0.248 -16.253 4.873 1.00 0.00 C ATOM 196 CE LYS A 14 -0.059 -17.756 5.009 1.00 0.00 C ATOM 197 NZ LYS A 14 0.444 -18.368 3.751 1.00 0.00 N ATOM 0 H LYS A 14 -3.416 -13.310 3.757 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.109 -12.970 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.195 -15.015 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.506 -15.232 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.598 -15.103 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.599 -16.535 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.659 -16.024 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.720 -15.756 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.642 -17.962 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.007 -18.218 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.559 -19.393 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.236 -18.194 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.361 -17.946 3.502 1.00 0.00 H new ATOM 211 N ALA A 15 0.336 -12.719 5.717 1.00 0.00 N ATOM 212 CA ALA A 15 1.706 -12.456 5.312 1.00 0.00 C ATOM 213 C ALA A 15 2.275 -13.640 4.557 1.00 0.00 C ATOM 214 O ALA A 15 2.608 -14.678 5.128 1.00 0.00 O ATOM 215 CB ALA A 15 2.586 -12.070 6.493 1.00 0.00 C ATOM 0 H ALA A 15 0.133 -12.554 6.703 1.00 0.00 H new ATOM 0 HA ALA A 15 1.693 -11.598 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.601 -11.882 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.191 -11.169 6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.596 -12.882 7.220 1.00 0.00 H new ATOM 221 N GLY A 16 2.341 -13.457 3.254 1.00 0.00 N ATOM 222 CA GLY A 16 2.821 -14.479 2.361 1.00 0.00 C ATOM 223 C GLY A 16 1.888 -14.606 1.184 1.00 0.00 C ATOM 224 O GLY A 16 2.317 -14.687 0.038 1.00 0.00 O ATOM 0 H GLY A 16 2.062 -12.593 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.825 -14.232 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.890 -15.431 2.887 1.00 0.00 H new ATOM 228 N SER A 17 0.595 -14.549 1.470 1.00 0.00 N ATOM 229 CA SER A 17 -0.414 -14.610 0.441 1.00 0.00 C ATOM 230 C SER A 17 -0.499 -13.264 -0.252 1.00 0.00 C ATOM 231 O SER A 17 -1.501 -12.927 -0.886 1.00 0.00 O ATOM 232 CB SER A 17 -1.751 -14.945 1.086 1.00 0.00 C ATOM 233 OG SER A 17 -1.720 -14.728 2.486 1.00 0.00 O ATOM 0 H SER A 17 0.225 -14.460 2.417 1.00 0.00 H new ATOM 0 HA SER A 17 -0.160 -15.375 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.535 -14.334 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.004 -15.986 0.883 1.00 0.00 H new ATOM 0 HG SER A 17 -1.456 -13.802 2.668 1.00 0.00 H new ATOM 239 N PHE A 18 0.553 -12.486 -0.100 1.00 0.00 N ATOM 240 CA PHE A 18 0.615 -11.161 -0.662 1.00 0.00 C ATOM 241 C PHE A 18 1.364 -11.139 -1.979 1.00 0.00 C ATOM 242 O PHE A 18 2.487 -10.650 -2.055 1.00 0.00 O ATOM 243 CB PHE A 18 1.308 -10.255 0.323 1.00 0.00 C ATOM 244 CG PHE A 18 0.394 -9.667 1.355 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.523 -8.690 1.016 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.462 -10.093 2.669 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.364 -8.153 1.972 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.368 -9.559 3.627 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.285 -8.589 3.281 1.00 0.00 C ATOM 0 H PHE A 18 1.388 -12.759 0.418 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.402 -10.821 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.095 -10.816 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.793 -9.445 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.583 -8.343 -0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.176 -10.855 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.082 -7.394 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.302 -9.899 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.940 -8.171 4.031 1.00 0.00 H new ATOM 259 N ALA A 19 0.731 -11.653 -3.012 1.00 0.00 N ATOM 260 CA ALA A 19 1.342 -11.672 -4.333 1.00 0.00 C ATOM 261 C ALA A 19 1.436 -10.252 -4.884 1.00 0.00 C ATOM 262 O ALA A 19 0.617 -9.400 -4.542 1.00 0.00 O ATOM 263 CB ALA A 19 0.546 -12.560 -5.277 1.00 0.00 C ATOM 0 H ALA A 19 -0.202 -12.063 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 19 2.348 -12.083 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.018 -12.562 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.520 -13.577 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.471 -12.179 -5.364 1.00 0.00 H new ATOM 269 N ASP A 20 2.438 -9.998 -5.726 1.00 0.00 N ATOM 270 CA ASP A 20 2.630 -8.667 -6.310 1.00 0.00 C ATOM 271 C ASP A 20 1.288 -7.994 -6.570 1.00 0.00 C ATOM 272 O ASP A 20 0.421 -8.562 -7.233 1.00 0.00 O ATOM 273 CB ASP A 20 3.425 -8.770 -7.612 1.00 0.00 C ATOM 274 CG ASP A 20 3.567 -7.431 -8.311 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.541 -6.892 -8.773 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.705 -6.922 -8.391 1.00 0.00 O ATOM 0 H ASP A 20 3.127 -10.691 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 20 3.190 -8.059 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.415 -9.172 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.932 -9.475 -8.281 1.00 0.00 H new ATOM 281 N THR A 21 1.106 -6.791 -6.027 1.00 0.00 N ATOM 282 CA THR A 21 -0.152 -6.078 -6.203 1.00 0.00 C ATOM 283 C THR A 21 0.043 -4.723 -6.865 1.00 0.00 C ATOM 284 O THR A 21 0.552 -3.792 -6.246 1.00 0.00 O ATOM 285 CB THR A 21 -0.847 -5.899 -4.852 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.747 -7.080 -4.075 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.315 -5.552 -4.974 1.00 0.00 C ATOM 0 H THR A 21 1.804 -6.298 -5.470 1.00 0.00 H new ATOM 0 HA THR A 21 -0.776 -6.680 -6.863 1.00 0.00 H new ATOM 0 HB THR A 21 -0.333 -5.066 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.297 -7.777 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.746 -5.439 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.423 -4.617 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.834 -6.349 -5.506 1.00 0.00 H new ATOM 295 N LYS A 22 -0.370 -4.609 -8.121 1.00 0.00 N ATOM 296 CA LYS A 22 -0.242 -3.367 -8.854 1.00 0.00 C ATOM 297 C LYS A 22 -1.184 -2.321 -8.291 1.00 0.00 C ATOM 298 O LYS A 22 -2.173 -2.636 -7.628 1.00 0.00 O ATOM 299 CB LYS A 22 -0.532 -3.587 -10.339 1.00 0.00 C ATOM 300 CG LYS A 22 0.691 -3.456 -11.222 1.00 0.00 C ATOM 301 CD LYS A 22 0.893 -2.022 -11.689 1.00 0.00 C ATOM 302 CE LYS A 22 -0.309 -1.514 -12.463 1.00 0.00 C ATOM 303 NZ LYS A 22 0.026 -0.340 -13.311 1.00 0.00 N ATOM 0 H LYS A 22 -0.798 -5.368 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 22 0.783 -3.012 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.962 -4.580 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.283 -2.867 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.573 -3.789 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.587 -4.110 -12.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.070 -1.379 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.782 -1.965 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.700 -2.315 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.100 -1.242 -11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.824 -0.027 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.374 0.434 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.763 -0.605 -13.996 1.00 0.00 H new ATOM 317 N ILE A 23 -0.844 -1.077 -8.544 1.00 0.00 N ATOM 318 CA ILE A 23 -1.622 0.045 -8.055 1.00 0.00 C ATOM 319 C ILE A 23 -1.631 1.200 -9.056 1.00 0.00 C ATOM 320 O ILE A 23 -0.667 1.406 -9.794 1.00 0.00 O ATOM 321 CB ILE A 23 -1.057 0.526 -6.718 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.410 -0.459 -5.607 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.550 1.926 -6.381 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.790 -0.263 -5.024 1.00 0.00 C ATOM 0 H ILE A 23 -0.025 -0.813 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.649 -0.294 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 23 0.028 0.573 -6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.333 -1.474 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.674 -0.368 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.131 2.239 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.235 2.620 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.638 1.923 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.963 -1.002 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.867 0.738 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.537 -0.384 -5.809 1.00 0.00 H new ATOM 336 N THR A 24 -2.727 1.954 -9.062 1.00 0.00 N ATOM 337 CA THR A 24 -2.872 3.094 -9.962 1.00 0.00 C ATOM 338 C THR A 24 -2.925 4.405 -9.185 1.00 0.00 C ATOM 339 O THR A 24 -3.821 4.618 -8.368 1.00 0.00 O ATOM 340 CB THR A 24 -4.136 2.939 -10.809 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.062 3.745 -11.973 1.00 0.00 O ATOM 342 CG2 THR A 24 -5.407 3.309 -10.074 1.00 0.00 C ATOM 0 H THR A 24 -3.529 1.795 -8.452 1.00 0.00 H new ATOM 0 HA THR A 24 -2.001 3.120 -10.616 1.00 0.00 H new ATOM 0 HB THR A 24 -4.181 1.880 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.879 3.631 -12.502 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.262 3.175 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.521 2.669 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.354 4.350 -9.757 1.00 0.00 H new ATOM 350 N LEU A 25 -1.957 5.276 -9.442 1.00 0.00 N ATOM 351 CA LEU A 25 -1.880 6.562 -8.770 1.00 0.00 C ATOM 352 C LEU A 25 -2.289 7.703 -9.705 1.00 0.00 C ATOM 353 O LEU A 25 -1.452 8.264 -10.411 1.00 0.00 O ATOM 354 CB LEU A 25 -0.455 6.773 -8.278 1.00 0.00 C ATOM 355 CG LEU A 25 -0.267 6.617 -6.771 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.237 5.145 -6.391 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.996 7.314 -6.317 1.00 0.00 C ATOM 0 H LEU A 25 -1.210 5.111 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.572 6.563 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.198 6.064 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.130 7.772 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.112 7.085 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.102 5.050 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.176 4.675 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.589 4.653 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.112 7.191 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.855 6.878 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.932 8.375 -6.556 1.00 0.00 H new ATOM 369 N THR A 26 -3.577 8.045 -9.707 1.00 0.00 N ATOM 370 CA THR A 26 -4.075 9.121 -10.565 1.00 0.00 C ATOM 371 C THR A 26 -3.563 10.474 -10.084 1.00 0.00 C ATOM 372 O THR A 26 -3.967 10.964 -9.021 1.00 0.00 O ATOM 373 CB THR A 26 -5.602 9.125 -10.601 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.098 7.845 -10.943 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.171 10.117 -11.591 1.00 0.00 C ATOM 0 H THR A 26 -4.289 7.598 -9.130 1.00 0.00 H new ATOM 0 HA THR A 26 -3.703 8.943 -11.574 1.00 0.00 H new ATOM 0 HB THR A 26 -5.916 9.414 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.376 7.374 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.260 10.070 -11.568 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.845 11.123 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.819 9.874 -12.593 1.00 0.00 H new ATOM 383 N PRO A 27 -2.659 11.090 -10.871 1.00 0.00 N ATOM 384 CA PRO A 27 -2.050 12.386 -10.567 1.00 0.00 C ATOM 385 C PRO A 27 -2.784 13.547 -11.212 1.00 0.00 C ATOM 386 O PRO A 27 -2.336 14.679 -11.129 1.00 0.00 O ATOM 387 CB PRO A 27 -0.696 12.224 -11.221 1.00 0.00 C ATOM 388 CG PRO A 27 -1.021 11.518 -12.490 1.00 0.00 C ATOM 389 CD PRO A 27 -2.135 10.558 -12.147 1.00 0.00 C ATOM 0 HA PRO A 27 -2.046 12.614 -9.501 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.219 13.187 -11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.014 11.644 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.334 12.222 -13.261 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.151 10.987 -12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.903 10.539 -12.921 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.768 9.538 -12.037 1.00 0.00 H new ATOM 397 N ASN A 28 -3.884 13.219 -11.881 1.00 0.00 N ATOM 398 CA ASN A 28 -4.723 14.151 -12.608 1.00 0.00 C ATOM 399 C ASN A 28 -4.827 15.474 -11.883 1.00 0.00 C ATOM 400 O ASN A 28 -5.878 15.864 -11.375 1.00 0.00 O ATOM 401 CB ASN A 28 -6.116 13.559 -12.811 1.00 0.00 C ATOM 402 CG ASN A 28 -6.651 13.803 -14.208 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.066 14.554 -14.987 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.773 13.167 -14.531 1.00 0.00 N ATOM 0 H ASN A 28 -4.224 12.259 -11.931 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.262 14.329 -13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.083 12.486 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.801 13.992 -12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.182 13.293 -15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.225 12.553 -13.853 1.00 0.00 H new ATOM 411 N GLY A 29 -3.699 16.134 -11.854 1.00 0.00 N ATOM 412 CA GLY A 29 -3.579 17.424 -11.205 1.00 0.00 C ATOM 413 C GLY A 29 -2.690 17.367 -9.980 1.00 0.00 C ATOM 414 O GLY A 29 -2.073 18.359 -9.597 1.00 0.00 O ATOM 0 H GLY A 29 -2.835 15.797 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.175 18.148 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.569 17.778 -10.917 1.00 0.00 H new ATOM 418 N ASN A 30 -2.634 16.193 -9.372 1.00 0.00 N ATOM 419 CA ASN A 30 -1.826 15.966 -8.183 1.00 0.00 C ATOM 420 C ASN A 30 -0.561 15.182 -8.528 1.00 0.00 C ATOM 421 O ASN A 30 -0.455 14.604 -9.612 1.00 0.00 O ATOM 422 CB ASN A 30 -2.645 15.201 -7.143 1.00 0.00 C ATOM 423 CG ASN A 30 -4.135 15.253 -7.431 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.864 16.060 -6.857 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.597 14.392 -8.332 1.00 0.00 N ATOM 0 H ASN A 30 -3.147 15.370 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.530 16.932 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.318 14.162 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.453 15.618 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.589 14.385 -8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.960 13.738 -8.786 1.00 0.00 H new ATOM 432 N THR A 31 0.387 15.166 -7.605 1.00 0.00 N ATOM 433 CA THR A 31 1.640 14.451 -7.813 1.00 0.00 C ATOM 434 C THR A 31 1.935 13.515 -6.649 1.00 0.00 C ATOM 435 O THR A 31 1.426 13.700 -5.543 1.00 0.00 O ATOM 436 CB THR A 31 2.792 15.441 -7.990 1.00 0.00 C ATOM 437 OG1 THR A 31 4.031 14.754 -8.059 1.00 0.00 O ATOM 438 CG2 THR A 31 2.889 16.454 -6.871 1.00 0.00 C ATOM 0 H THR A 31 0.315 15.639 -6.704 1.00 0.00 H new ATOM 0 HA THR A 31 1.540 13.853 -8.718 1.00 0.00 H new ATOM 0 HB THR A 31 2.580 15.972 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.758 15.401 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.727 17.125 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.966 17.031 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.044 15.937 -5.924 1.00 0.00 H new ATOM 446 N PHE A 32 2.761 12.510 -6.907 1.00 0.00 N ATOM 447 CA PHE A 32 3.129 11.536 -5.886 1.00 0.00 C ATOM 448 C PHE A 32 4.646 11.432 -5.751 1.00 0.00 C ATOM 449 O PHE A 32 5.384 11.712 -6.696 1.00 0.00 O ATOM 450 CB PHE A 32 2.538 10.167 -6.226 1.00 0.00 C ATOM 451 CG PHE A 32 3.094 9.043 -5.399 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.917 9.021 -4.027 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.794 8.007 -5.999 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.429 7.989 -3.268 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.307 6.973 -5.246 1.00 0.00 C ATOM 456 CZ PHE A 32 4.122 6.964 -3.878 1.00 0.00 C ATOM 0 H PHE A 32 3.191 12.347 -7.818 1.00 0.00 H new ATOM 0 HA PHE A 32 2.723 11.874 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.457 10.205 -6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.720 9.955 -7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.373 9.820 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.939 8.011 -7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.287 7.984 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.852 6.173 -5.724 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.520 6.154 -3.285 1.00 0.00 H new ATOM 466 N ASN A 33 5.107 11.026 -4.569 1.00 0.00 N ATOM 467 CA ASN A 33 6.535 10.882 -4.312 1.00 0.00 C ATOM 468 C ASN A 33 6.890 9.440 -3.961 1.00 0.00 C ATOM 469 O ASN A 33 7.617 8.773 -4.696 1.00 0.00 O ATOM 470 CB ASN A 33 6.965 11.817 -3.178 1.00 0.00 C ATOM 471 CG ASN A 33 7.988 12.840 -3.628 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.178 12.717 -3.336 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.529 13.859 -4.345 1.00 0.00 N ATOM 0 H ASN A 33 4.511 10.791 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 33 7.069 11.152 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.089 12.332 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.381 11.226 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.171 14.579 -4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.535 13.922 -4.564 1.00 0.00 H new ATOM 480 N GLY A 34 6.377 8.967 -2.829 1.00 0.00 N ATOM 481 CA GLY A 34 6.655 7.607 -2.397 1.00 0.00 C ATOM 482 C GLY A 34 5.993 7.271 -1.075 1.00 0.00 C ATOM 483 O GLY A 34 5.511 8.161 -0.371 1.00 0.00 O ATOM 0 H GLY A 34 5.774 9.500 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.310 6.909 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.733 7.472 -2.305 1.00 0.00 H new ATOM 487 N ILE A 35 5.973 5.984 -0.725 1.00 0.00 N ATOM 488 CA ILE A 35 5.375 5.549 0.525 1.00 0.00 C ATOM 489 C ILE A 35 6.453 5.249 1.555 1.00 0.00 C ATOM 490 O ILE A 35 7.046 4.169 1.565 1.00 0.00 O ATOM 491 CB ILE A 35 4.514 4.292 0.360 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.449 4.498 -0.711 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.870 3.919 1.685 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.916 4.153 -2.104 1.00 0.00 C ATOM 0 H ILE A 35 6.364 5.232 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 35 4.737 6.368 0.857 1.00 0.00 H new ATOM 0 HB ILE A 35 5.160 3.474 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.579 3.889 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.125 5.538 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.261 3.024 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.646 3.725 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.240 4.740 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.105 4.324 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.767 4.780 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.213 3.105 -2.139 1.00 0.00 H new ATOM 506 N SER A 36 6.685 6.209 2.423 1.00 0.00 N ATOM 507 CA SER A 36 7.689 6.060 3.474 1.00 0.00 C ATOM 508 C SER A 36 7.276 4.976 4.443 1.00 0.00 C ATOM 509 O SER A 36 8.123 4.310 5.042 1.00 0.00 O ATOM 510 CB SER A 36 7.901 7.384 4.211 1.00 0.00 C ATOM 511 OG SER A 36 9.086 8.028 3.775 1.00 0.00 O ATOM 0 H SER A 36 6.196 7.104 2.429 1.00 0.00 H new ATOM 0 HA SER A 36 8.633 5.773 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.045 8.038 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.957 7.201 5.284 1.00 0.00 H new ATOM 0 HG SER A 36 9.197 8.872 4.260 1.00 0.00 H new ATOM 517 N GLU A 37 5.975 4.762 4.570 1.00 0.00 N ATOM 518 CA GLU A 37 5.476 3.719 5.435 1.00 0.00 C ATOM 519 C GLU A 37 6.175 2.420 5.060 1.00 0.00 C ATOM 520 O GLU A 37 6.372 1.534 5.890 1.00 0.00 O ATOM 521 CB GLU A 37 3.968 3.591 5.265 1.00 0.00 C ATOM 522 CG GLU A 37 3.231 3.259 6.550 1.00 0.00 C ATOM 523 CD GLU A 37 1.890 3.958 6.636 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.347 4.325 5.570 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.383 4.140 7.760 1.00 0.00 O ATOM 0 H GLU A 37 5.254 5.297 4.085 1.00 0.00 H new ATOM 0 HA GLU A 37 5.678 3.954 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.577 4.526 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.760 2.816 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.082 2.181 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.845 3.547 7.404 1.00 0.00 H new ATOM 532 N LEU A 38 6.572 2.348 3.789 1.00 0.00 N ATOM 533 CA LEU A 38 7.281 1.202 3.258 1.00 0.00 C ATOM 534 C LEU A 38 8.309 1.671 2.230 1.00 0.00 C ATOM 535 O LEU A 38 7.990 1.849 1.054 1.00 0.00 O ATOM 536 CB LEU A 38 6.306 0.212 2.624 1.00 0.00 C ATOM 537 CG LEU A 38 5.060 0.837 1.993 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.858 0.316 0.582 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.835 0.558 2.851 1.00 0.00 C ATOM 0 H LEU A 38 6.407 3.087 3.105 1.00 0.00 H new ATOM 0 HA LEU A 38 7.795 0.693 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.836 -0.355 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.989 -0.500 3.386 1.00 0.00 H new ATOM 0 HG LEU A 38 5.203 1.916 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.967 0.772 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.726 0.568 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.735 -0.767 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.957 1.009 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.688 -0.519 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.982 0.984 3.844 1.00 0.00 H new ATOM 551 N GLN A 39 9.533 1.898 2.704 1.00 0.00 N ATOM 552 CA GLN A 39 10.631 2.379 1.891 1.00 0.00 C ATOM 553 C GLN A 39 10.511 1.889 0.473 1.00 0.00 C ATOM 554 O GLN A 39 10.977 0.816 0.103 1.00 0.00 O ATOM 555 CB GLN A 39 11.968 1.935 2.488 1.00 0.00 C ATOM 556 CG GLN A 39 12.116 2.264 3.964 1.00 0.00 C ATOM 557 CD GLN A 39 12.122 1.028 4.841 1.00 0.00 C ATOM 558 OE1 GLN A 39 11.201 0.806 5.627 1.00 0.00 O ATOM 559 NE2 GLN A 39 13.165 0.215 4.709 1.00 0.00 N ATOM 0 H GLN A 39 9.786 1.748 3.681 1.00 0.00 H new ATOM 0 HA GLN A 39 10.590 3.468 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.078 0.859 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.779 2.410 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.042 2.818 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.299 2.918 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.906 0.439 4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.225 -0.633 5.272 1.00 0.00 H new ATOM 568 N SER A 40 9.850 2.744 -0.275 1.00 0.00 N ATOM 569 CA SER A 40 9.554 2.576 -1.705 1.00 0.00 C ATOM 570 C SER A 40 10.106 1.284 -2.285 1.00 0.00 C ATOM 571 O SER A 40 9.427 0.600 -3.045 1.00 0.00 O ATOM 572 CB SER A 40 10.098 3.766 -2.494 1.00 0.00 C ATOM 573 OG SER A 40 11.364 4.171 -2.000 1.00 0.00 O ATOM 0 H SER A 40 9.482 3.618 0.101 1.00 0.00 H new ATOM 0 HA SER A 40 8.469 2.525 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.184 3.499 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.397 4.598 -2.432 1.00 0.00 H new ATOM 0 HG SER A 40 11.691 4.933 -2.523 1.00 0.00 H new ATOM 579 N SER A 41 11.331 0.958 -1.927 1.00 0.00 N ATOM 580 CA SER A 41 11.958 -0.256 -2.414 1.00 0.00 C ATOM 581 C SER A 41 11.022 -1.451 -2.221 1.00 0.00 C ATOM 582 O SER A 41 11.124 -2.454 -2.925 1.00 0.00 O ATOM 583 CB SER A 41 13.290 -0.497 -1.696 1.00 0.00 C ATOM 584 OG SER A 41 13.254 -1.686 -0.925 1.00 0.00 O ATOM 0 H SER A 41 11.913 1.515 -1.301 1.00 0.00 H new ATOM 0 HA SER A 41 12.158 -0.140 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.094 -0.561 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.515 0.351 -1.049 1.00 0.00 H new ATOM 0 HG SER A 41 14.118 -1.814 -0.480 1.00 0.00 H new ATOM 590 N GLN A 42 10.107 -1.324 -1.263 1.00 0.00 N ATOM 591 CA GLN A 42 9.145 -2.364 -0.966 1.00 0.00 C ATOM 592 C GLN A 42 8.268 -2.666 -2.178 1.00 0.00 C ATOM 593 O GLN A 42 7.811 -3.793 -2.377 1.00 0.00 O ATOM 594 CB GLN A 42 8.282 -1.904 0.194 1.00 0.00 C ATOM 595 CG GLN A 42 9.066 -1.320 1.360 1.00 0.00 C ATOM 596 CD GLN A 42 10.385 -2.030 1.598 1.00 0.00 C ATOM 597 OE1 GLN A 42 10.422 -3.115 2.179 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.476 -1.422 1.154 1.00 0.00 N ATOM 0 H GLN A 42 10.018 -0.495 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 42 9.677 -3.279 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.577 -1.155 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.694 -2.749 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.257 -0.264 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.460 -1.377 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.401 -0.523 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.391 -1.853 1.289 1.00 0.00 H new ATOM 607 N TYR A 43 8.031 -1.634 -2.969 1.00 0.00 N ATOM 608 CA TYR A 43 7.200 -1.737 -4.163 1.00 0.00 C ATOM 609 C TYR A 43 7.963 -1.307 -5.405 1.00 0.00 C ATOM 610 O TYR A 43 9.183 -1.143 -5.387 1.00 0.00 O ATOM 611 CB TYR A 43 5.946 -0.876 -3.998 1.00 0.00 C ATOM 612 CG TYR A 43 6.245 0.577 -3.751 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.814 1.369 -4.740 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.958 1.162 -2.528 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.088 2.705 -4.513 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.228 2.494 -2.295 1.00 0.00 C ATOM 617 CZ TYR A 43 6.794 3.262 -3.290 1.00 0.00 C ATOM 618 OH TYR A 43 7.063 4.592 -3.059 1.00 0.00 O ATOM 0 H TYR A 43 8.407 -0.700 -2.805 1.00 0.00 H new ATOM 0 HA TYR A 43 6.913 -2.781 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.333 -0.965 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.355 -1.264 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.046 0.935 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.516 0.565 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.531 3.308 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.997 2.934 -1.336 1.00 0.00 H new ATOM 0 HH TYR A 43 7.230 5.045 -3.912 1.00 0.00 H new ATOM 628 N THR A 44 7.218 -1.125 -6.477 1.00 0.00 N ATOM 629 CA THR A 44 7.761 -0.708 -7.754 1.00 0.00 C ATOM 630 C THR A 44 6.950 0.455 -8.290 1.00 0.00 C ATOM 631 O THR A 44 5.962 0.271 -9.001 1.00 0.00 O ATOM 632 CB THR A 44 7.740 -1.867 -8.752 1.00 0.00 C ATOM 633 OG1 THR A 44 7.828 -3.110 -8.079 1.00 0.00 O ATOM 634 CG2 THR A 44 8.869 -1.809 -9.758 1.00 0.00 C ATOM 0 H THR A 44 6.208 -1.264 -6.486 1.00 0.00 H new ATOM 0 HA THR A 44 8.796 -0.396 -7.614 1.00 0.00 H new ATOM 0 HB THR A 44 6.794 -1.773 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.811 -3.839 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.796 -2.659 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.801 -0.883 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.825 -1.843 -9.235 1.00 0.00 H new ATOM 642 N LYS A 45 7.366 1.651 -7.915 1.00 0.00 N ATOM 643 CA LYS A 45 6.676 2.870 -8.327 1.00 0.00 C ATOM 644 C LYS A 45 6.841 3.120 -9.817 1.00 0.00 C ATOM 645 O LYS A 45 7.759 2.610 -10.459 1.00 0.00 O ATOM 646 CB LYS A 45 7.199 4.077 -7.531 1.00 0.00 C ATOM 647 CG LYS A 45 7.210 5.397 -8.295 1.00 0.00 C ATOM 648 CD LYS A 45 8.380 5.474 -9.264 1.00 0.00 C ATOM 649 CE LYS A 45 8.991 6.865 -9.287 1.00 0.00 C ATOM 650 NZ LYS A 45 9.782 7.146 -8.055 1.00 0.00 N ATOM 0 H LYS A 45 8.182 1.809 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 45 5.614 2.738 -8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.586 4.197 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.213 3.860 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.275 5.508 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.266 6.226 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.139 4.746 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.043 5.206 -10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.634 6.965 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.199 7.608 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.780 8.169 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.358 6.645 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.761 6.821 -8.189 1.00 0.00 H new ATOM 664 N GLY A 46 5.931 3.919 -10.344 1.00 0.00 N ATOM 665 CA GLY A 46 5.943 4.265 -11.743 1.00 0.00 C ATOM 666 C GLY A 46 5.163 5.534 -12.000 1.00 0.00 C ATOM 667 O GLY A 46 4.068 5.490 -12.559 1.00 0.00 O ATOM 0 H GLY A 46 5.169 4.341 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.972 4.393 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.516 3.449 -12.326 1.00 0.00 H new ATOM 671 N THR A 47 5.726 6.664 -11.562 1.00 0.00 N ATOM 672 CA THR A 47 5.094 7.979 -11.727 1.00 0.00 C ATOM 673 C THR A 47 3.641 7.851 -12.178 1.00 0.00 C ATOM 674 O THR A 47 3.372 7.564 -13.346 1.00 0.00 O ATOM 675 CB THR A 47 5.877 8.819 -12.736 1.00 0.00 C ATOM 676 OG1 THR A 47 5.095 9.907 -13.197 1.00 0.00 O ATOM 677 CG2 THR A 47 6.329 8.033 -13.947 1.00 0.00 C ATOM 0 H THR A 47 6.627 6.695 -11.086 1.00 0.00 H new ATOM 0 HA THR A 47 5.104 8.474 -10.756 1.00 0.00 H new ATOM 0 HB THR A 47 6.760 9.166 -12.199 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.614 10.433 -13.841 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.878 8.689 -14.622 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.976 7.215 -13.629 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.459 7.628 -14.463 1.00 0.00 H new ATOM 685 N ASN A 48 2.719 8.048 -11.240 1.00 0.00 N ATOM 686 CA ASN A 48 1.286 7.946 -11.511 1.00 0.00 C ATOM 687 C ASN A 48 0.779 6.543 -11.192 1.00 0.00 C ATOM 688 O ASN A 48 -0.419 6.306 -11.122 1.00 0.00 O ATOM 689 CB ASN A 48 0.958 8.307 -12.965 1.00 0.00 C ATOM 690 CG ASN A 48 1.668 9.567 -13.425 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.283 10.273 -12.627 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.582 9.854 -14.719 1.00 0.00 N ATOM 0 H ASN A 48 2.942 8.282 -10.273 1.00 0.00 H new ATOM 0 HA ASN A 48 0.780 8.663 -10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.239 7.478 -13.614 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.119 8.442 -13.069 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.037 10.689 -15.087 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.061 9.239 -15.344 1.00 0.00 H new ATOM 699 N GLU A 49 1.708 5.617 -10.992 1.00 0.00 N ATOM 700 CA GLU A 49 1.354 4.240 -10.671 1.00 0.00 C ATOM 701 C GLU A 49 2.427 3.586 -9.812 1.00 0.00 C ATOM 702 O GLU A 49 3.521 4.120 -9.661 1.00 0.00 O ATOM 703 CB GLU A 49 1.161 3.427 -11.951 1.00 0.00 C ATOM 704 CG GLU A 49 -0.283 3.343 -12.407 1.00 0.00 C ATOM 705 CD GLU A 49 -0.415 3.277 -13.915 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.457 2.667 -14.561 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.396 3.833 -14.452 1.00 0.00 O ATOM 0 H GLU A 49 2.711 5.794 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 49 0.420 4.259 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.759 3.871 -12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.542 2.418 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.749 2.461 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.828 4.211 -12.036 1.00 0.00 H new ATOM 714 N VAL A 50 2.103 2.425 -9.259 1.00 0.00 N ATOM 715 CA VAL A 50 3.044 1.684 -8.422 1.00 0.00 C ATOM 716 C VAL A 50 2.663 0.214 -8.347 1.00 0.00 C ATOM 717 O VAL A 50 1.534 -0.158 -8.663 1.00 0.00 O ATOM 718 CB VAL A 50 3.133 2.254 -6.993 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.853 1.973 -6.220 1.00 0.00 C ATOM 720 CG2 VAL A 50 4.333 1.678 -6.259 1.00 0.00 C ATOM 0 H VAL A 50 1.196 1.974 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 50 4.021 1.789 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 50 3.260 3.334 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.938 2.384 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.010 2.437 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.693 0.896 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.377 2.093 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.238 0.594 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.246 1.933 -6.797 1.00 0.00 H new ATOM 730 N THR A 51 3.611 -0.613 -7.932 1.00 0.00 N ATOM 731 CA THR A 51 3.363 -2.045 -7.827 1.00 0.00 C ATOM 732 C THR A 51 3.935 -2.631 -6.540 1.00 0.00 C ATOM 733 O THR A 51 5.145 -2.628 -6.322 1.00 0.00 O ATOM 734 CB THR A 51 3.957 -2.770 -9.035 1.00 0.00 C ATOM 735 OG1 THR A 51 3.309 -2.370 -10.229 1.00 0.00 O ATOM 736 CG2 THR A 51 3.859 -4.276 -8.940 1.00 0.00 C ATOM 0 H THR A 51 4.551 -0.322 -7.664 1.00 0.00 H new ATOM 0 HA THR A 51 2.283 -2.189 -7.806 1.00 0.00 H new ATOM 0 HB THR A 51 5.011 -2.493 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.704 -2.844 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.299 -4.726 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.395 -4.620 -8.056 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.812 -4.568 -8.866 1.00 0.00 H new ATOM 744 N LEU A 52 3.051 -3.157 -5.699 1.00 0.00 N ATOM 745 CA LEU A 52 3.446 -3.771 -4.442 1.00 0.00 C ATOM 746 C LEU A 52 4.204 -5.059 -4.715 1.00 0.00 C ATOM 747 O LEU A 52 3.781 -5.872 -5.534 1.00 0.00 O ATOM 748 CB LEU A 52 2.203 -4.098 -3.620 1.00 0.00 C ATOM 749 CG LEU A 52 1.533 -2.905 -2.953 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.878 -2.007 -3.991 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.515 -3.368 -1.923 1.00 0.00 C ATOM 0 H LEU A 52 2.046 -3.169 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 52 4.083 -3.077 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.476 -4.586 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.476 -4.818 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 52 2.300 -2.327 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.405 -1.160 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.634 -1.643 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.125 -2.573 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.048 -2.500 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.248 -3.973 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.015 -3.964 -1.159 1.00 0.00 H new ATOM 763 N LEU A 53 5.331 -5.241 -4.040 1.00 0.00 N ATOM 764 CA LEU A 53 6.124 -6.436 -4.246 1.00 0.00 C ATOM 765 C LEU A 53 5.916 -7.455 -3.133 1.00 0.00 C ATOM 766 O LEU A 53 6.293 -7.237 -1.979 1.00 0.00 O ATOM 767 CB LEU A 53 7.609 -6.081 -4.370 1.00 0.00 C ATOM 768 CG LEU A 53 8.251 -6.439 -5.711 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.686 -5.938 -5.766 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.200 -7.943 -5.940 1.00 0.00 C ATOM 0 H LEU A 53 5.709 -4.585 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 53 5.788 -6.892 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.726 -5.010 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.156 -6.589 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 53 7.687 -5.950 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.127 -6.202 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.698 -4.855 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.263 -6.398 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.661 -8.181 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.740 -8.451 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.162 -8.275 -5.944 1.00 0.00 H new ATOM 782 N ALA A 54 5.328 -8.582 -3.500 1.00 0.00 N ATOM 783 CA ALA A 54 5.061 -9.665 -2.563 1.00 0.00 C ATOM 784 C ALA A 54 6.244 -9.934 -1.635 1.00 0.00 C ATOM 785 O ALA A 54 6.101 -10.621 -0.631 1.00 0.00 O ATOM 786 CB ALA A 54 4.702 -10.933 -3.324 1.00 0.00 C ATOM 0 H ALA A 54 5.022 -8.773 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 54 4.222 -9.356 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.504 -11.738 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.813 -10.755 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.532 -11.216 -3.972 1.00 0.00 H new ATOM 792 N SER A 55 7.413 -9.395 -1.970 1.00 0.00 N ATOM 793 CA SER A 55 8.602 -9.597 -1.151 1.00 0.00 C ATOM 794 C SER A 55 8.491 -8.837 0.157 1.00 0.00 C ATOM 795 O SER A 55 8.754 -9.380 1.231 1.00 0.00 O ATOM 796 CB SER A 55 9.855 -9.156 -1.910 1.00 0.00 C ATOM 797 OG SER A 55 10.432 -10.240 -2.616 1.00 0.00 O ATOM 0 H SER A 55 7.561 -8.818 -2.798 1.00 0.00 H new ATOM 0 HA SER A 55 8.682 -10.661 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.599 -8.359 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.583 -8.746 -1.210 1.00 0.00 H new ATOM 0 HG SER A 55 11.230 -9.931 -3.094 1.00 0.00 H new ATOM 803 N TYR A 56 8.095 -7.579 0.060 1.00 0.00 N ATOM 804 CA TYR A 56 7.934 -6.728 1.220 1.00 0.00 C ATOM 805 C TYR A 56 6.758 -7.195 2.053 1.00 0.00 C ATOM 806 O TYR A 56 6.892 -7.547 3.227 1.00 0.00 O ATOM 807 CB TYR A 56 7.695 -5.296 0.742 1.00 0.00 C ATOM 808 CG TYR A 56 6.707 -4.507 1.573 1.00 0.00 C ATOM 809 CD1 TYR A 56 6.820 -4.436 2.957 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.658 -3.828 0.966 1.00 0.00 C ATOM 811 CE1 TYR A 56 5.912 -3.712 3.709 1.00 0.00 C ATOM 812 CE2 TYR A 56 4.749 -3.104 1.708 1.00 0.00 C ATOM 813 CZ TYR A 56 4.881 -3.048 3.078 1.00 0.00 C ATOM 814 OH TYR A 56 3.974 -2.326 3.819 1.00 0.00 O ATOM 0 H TYR A 56 7.877 -7.122 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 56 8.832 -6.773 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.648 -4.766 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.340 -5.326 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.628 -4.954 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.552 -3.868 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.010 -3.667 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.939 -2.584 1.218 1.00 0.00 H new ATOM 0 HH TYR A 56 3.119 -2.288 3.342 1.00 0.00 H new ATOM 824 N LEU A 57 5.609 -7.187 1.417 1.00 0.00 N ATOM 825 CA LEU A 57 4.371 -7.599 2.069 1.00 0.00 C ATOM 826 C LEU A 57 4.523 -8.986 2.678 1.00 0.00 C ATOM 827 O LEU A 57 4.035 -9.249 3.777 1.00 0.00 O ATOM 828 CB LEU A 57 3.183 -7.578 1.100 1.00 0.00 C ATOM 829 CG LEU A 57 3.515 -7.194 -0.334 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.340 -7.477 -1.257 1.00 0.00 C ATOM 831 CD2 LEU A 57 3.905 -5.726 -0.409 1.00 0.00 C ATOM 0 H LEU A 57 5.498 -6.900 0.445 1.00 0.00 H new ATOM 0 HA LEU A 57 4.168 -6.880 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.722 -8.566 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.438 -6.880 1.481 1.00 0.00 H new ATOM 0 HG LEU A 57 4.359 -7.800 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.602 -7.194 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.100 -8.540 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.474 -6.900 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.140 -5.464 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.076 -5.111 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.779 -5.549 0.218 1.00 0.00 H new ATOM 843 N ASN A 58 5.204 -9.872 1.962 1.00 0.00 N ATOM 844 CA ASN A 58 5.413 -11.225 2.454 1.00 0.00 C ATOM 845 C ASN A 58 6.286 -11.216 3.702 1.00 0.00 C ATOM 846 O ASN A 58 6.194 -12.106 4.548 1.00 0.00 O ATOM 847 CB ASN A 58 6.051 -12.110 1.383 1.00 0.00 C ATOM 848 CG ASN A 58 6.397 -13.493 1.899 1.00 0.00 C ATOM 849 OD1 ASN A 58 7.090 -13.637 2.908 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.919 -14.520 1.207 1.00 0.00 N ATOM 0 H ASN A 58 5.616 -9.680 1.049 1.00 0.00 H new ATOM 0 HA ASN A 58 4.436 -11.637 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.368 -12.202 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.955 -11.629 1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.121 -15.474 1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.349 -14.355 0.377 1.00 0.00 H new ATOM 857 N THR A 59 7.146 -10.206 3.805 1.00 0.00 N ATOM 858 CA THR A 59 8.053 -10.083 4.941 1.00 0.00 C ATOM 859 C THR A 59 7.429 -9.277 6.075 1.00 0.00 C ATOM 860 O THR A 59 7.889 -9.349 7.216 1.00 0.00 O ATOM 861 CB THR A 59 9.364 -9.432 4.502 1.00 0.00 C ATOM 862 OG1 THR A 59 9.136 -8.501 3.457 1.00 0.00 O ATOM 863 CG2 THR A 59 10.393 -10.428 4.009 1.00 0.00 C ATOM 0 H THR A 59 7.233 -9.461 3.114 1.00 0.00 H new ATOM 0 HA THR A 59 8.253 -11.088 5.313 1.00 0.00 H new ATOM 0 HB THR A 59 9.754 -8.941 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.313 -8.929 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.299 -9.899 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.628 -11.133 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.993 -10.970 3.152 1.00 0.00 H new ATOM 871 N LEU A 60 6.388 -8.512 5.764 1.00 0.00 N ATOM 872 CA LEU A 60 5.717 -7.699 6.773 1.00 0.00 C ATOM 873 C LEU A 60 5.531 -8.482 8.071 1.00 0.00 C ATOM 874 O LEU A 60 5.305 -9.692 8.053 1.00 0.00 O ATOM 875 CB LEU A 60 4.365 -7.219 6.251 1.00 0.00 C ATOM 876 CG LEU A 60 4.337 -5.771 5.764 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.287 -5.591 4.678 1.00 0.00 C ATOM 878 CD2 LEU A 60 4.072 -4.826 6.925 1.00 0.00 C ATOM 0 H LEU A 60 5.992 -8.438 4.827 1.00 0.00 H new ATOM 0 HA LEU A 60 6.345 -6.833 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.058 -7.868 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.625 -7.334 7.043 1.00 0.00 H new ATOM 0 HG LEU A 60 5.312 -5.532 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.283 -4.553 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.520 -6.242 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.305 -5.849 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.055 -3.799 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.110 -5.067 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.861 -4.934 7.670 1.00 0.00 H new ATOM 890 N PRO A 61 5.633 -7.793 9.220 1.00 0.00 N ATOM 891 CA PRO A 61 5.486 -8.422 10.539 1.00 0.00 C ATOM 892 C PRO A 61 4.217 -9.259 10.665 1.00 0.00 C ATOM 893 O PRO A 61 3.399 -9.319 9.746 1.00 0.00 O ATOM 894 CB PRO A 61 5.433 -7.227 11.493 1.00 0.00 C ATOM 895 CG PRO A 61 6.175 -6.147 10.788 1.00 0.00 C ATOM 896 CD PRO A 61 5.912 -6.350 9.322 1.00 0.00 C ATOM 0 HA PRO A 61 6.297 -9.121 10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.405 -6.931 11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.895 -7.465 12.451 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.834 -5.164 11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.242 -6.202 11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.067 -5.753 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.772 -6.063 8.716 1.00 0.00 H new ATOM 904 N GLU A 62 4.067 -9.905 11.817 1.00 0.00 N ATOM 905 CA GLU A 62 2.913 -10.748 12.098 1.00 0.00 C ATOM 906 C GLU A 62 1.614 -9.977 11.965 1.00 0.00 C ATOM 907 O GLU A 62 1.587 -8.880 11.414 1.00 0.00 O ATOM 908 CB GLU A 62 3.043 -11.332 13.505 1.00 0.00 C ATOM 909 CG GLU A 62 4.079 -12.435 13.603 1.00 0.00 C ATOM 910 CD GLU A 62 5.443 -11.920 14.015 1.00 0.00 C ATOM 911 OE1 GLU A 62 6.157 -11.372 13.148 1.00 0.00 O ATOM 912 OE2 GLU A 62 5.799 -12.067 15.204 1.00 0.00 O ATOM 0 H GLU A 62 4.742 -9.858 12.580 1.00 0.00 H new ATOM 0 HA GLU A 62 2.889 -11.555 11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.305 -10.534 14.199 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.075 -11.723 13.820 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.743 -13.180 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.161 -12.938 12.639 1.00 0.00 H new ATOM 919 N ASN A 63 0.543 -10.588 12.455 1.00 0.00 N ATOM 920 CA ASN A 63 -0.781 -10.021 12.394 1.00 0.00 C ATOM 921 C ASN A 63 -0.763 -8.514 12.625 1.00 0.00 C ATOM 922 O ASN A 63 -1.192 -8.029 13.672 1.00 0.00 O ATOM 923 CB ASN A 63 -1.684 -10.690 13.432 1.00 0.00 C ATOM 924 CG ASN A 63 -1.067 -10.693 14.816 1.00 0.00 C ATOM 925 OD1 ASN A 63 -0.345 -11.620 15.184 1.00 0.00 O ATOM 926 ND2 ASN A 63 -1.350 -9.654 15.593 1.00 0.00 N ATOM 0 H ASN A 63 0.579 -11.501 12.909 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.171 -10.202 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.642 -10.171 13.465 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.888 -11.716 13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.964 -9.602 16.536 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.953 -8.908 15.247 1.00 0.00 H new ATOM 933 N THR A 64 -0.263 -7.785 11.637 1.00 0.00 N ATOM 934 CA THR A 64 -0.181 -6.330 11.722 1.00 0.00 C ATOM 935 C THR A 64 -0.967 -5.671 10.595 1.00 0.00 C ATOM 936 O THR A 64 -1.345 -6.324 9.622 1.00 0.00 O ATOM 937 CB THR A 64 1.273 -5.873 11.680 1.00 0.00 C ATOM 938 OG1 THR A 64 1.937 -6.412 10.550 1.00 0.00 O ATOM 939 CG2 THR A 64 2.062 -6.275 12.909 1.00 0.00 C ATOM 0 H THR A 64 0.093 -8.176 10.765 1.00 0.00 H new ATOM 0 HA THR A 64 -0.620 -6.026 12.672 1.00 0.00 H new ATOM 0 HB THR A 64 1.232 -4.785 11.632 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.167 -7.349 10.722 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.088 -5.919 12.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.605 -5.835 13.795 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.062 -7.361 13.002 1.00 0.00 H new ATOM 947 N THR A 65 -1.213 -4.375 10.736 1.00 0.00 N ATOM 948 CA THR A 65 -1.961 -3.627 9.734 1.00 0.00 C ATOM 949 C THR A 65 -1.162 -2.436 9.228 1.00 0.00 C ATOM 950 O THR A 65 -1.419 -1.296 9.614 1.00 0.00 O ATOM 951 CB THR A 65 -3.274 -3.139 10.317 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.719 -3.997 11.352 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.386 -3.032 9.295 1.00 0.00 C ATOM 0 H THR A 65 -0.905 -3.820 11.535 1.00 0.00 H new ATOM 0 HA THR A 65 -2.157 -4.297 8.897 1.00 0.00 H new ATOM 0 HB THR A 65 -3.061 -2.141 10.700 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.566 -3.662 11.714 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.295 -2.678 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.095 -2.330 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.570 -4.011 8.853 1.00 0.00 H new ATOM 961 N LYS A 66 -0.206 -2.698 8.351 1.00 0.00 N ATOM 962 CA LYS A 66 0.607 -1.653 7.784 1.00 0.00 C ATOM 963 C LYS A 66 -0.225 -0.742 6.913 1.00 0.00 C ATOM 964 O LYS A 66 -1.423 -0.961 6.729 1.00 0.00 O ATOM 965 CB LYS A 66 1.751 -2.263 6.991 1.00 0.00 C ATOM 966 CG LYS A 66 3.116 -1.843 7.494 1.00 0.00 C ATOM 967 CD LYS A 66 4.064 -1.596 6.342 1.00 0.00 C ATOM 968 CE LYS A 66 5.313 -0.857 6.792 1.00 0.00 C ATOM 969 NZ LYS A 66 4.985 0.339 7.608 1.00 0.00 N ATOM 0 H LYS A 66 0.021 -3.635 8.019 1.00 0.00 H new ATOM 0 HA LYS A 66 1.023 -1.052 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.674 -3.350 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.653 -1.976 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.024 -0.938 8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.522 -2.617 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.346 -2.548 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.556 -1.017 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.944 -1.530 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.890 -0.553 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.653 1.104 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.017 0.651 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.055 0.100 8.618 1.00 0.00 H new ATOM 983 N THR A 67 0.401 0.283 6.389 1.00 0.00 N ATOM 984 CA THR A 67 -0.292 1.243 5.548 1.00 0.00 C ATOM 985 C THR A 67 0.614 1.801 4.461 1.00 0.00 C ATOM 986 O THR A 67 1.775 2.116 4.712 1.00 0.00 O ATOM 987 CB THR A 67 -0.841 2.376 6.421 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.976 1.940 7.146 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.245 3.616 5.647 1.00 0.00 C ATOM 0 H THR A 67 1.392 0.479 6.527 1.00 0.00 H new ATOM 0 HA THR A 67 -1.114 0.731 5.048 1.00 0.00 H new ATOM 0 HB THR A 67 -0.016 2.643 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.090 0.974 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.623 4.369 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.379 4.012 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.024 3.359 4.929 1.00 0.00 H new ATOM 997 N LEU A 68 0.077 1.928 3.257 1.00 0.00 N ATOM 998 CA LEU A 68 0.831 2.464 2.133 1.00 0.00 C ATOM 999 C LEU A 68 0.544 3.953 1.962 1.00 0.00 C ATOM 1000 O LEU A 68 -0.169 4.354 1.048 1.00 0.00 O ATOM 1001 CB LEU A 68 0.476 1.710 0.846 1.00 0.00 C ATOM 1002 CG LEU A 68 1.611 0.884 0.241 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.315 -0.595 0.368 1.00 0.00 C ATOM 1004 CD2 LEU A 68 1.825 1.264 -1.212 1.00 0.00 C ATOM 0 H LEU A 68 -0.883 1.666 3.032 1.00 0.00 H new ATOM 0 HA LEU A 68 1.894 2.333 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.364 1.047 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.137 2.432 0.103 1.00 0.00 H new ATOM 0 HG LEU A 68 2.528 1.098 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.133 -1.169 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.210 -0.856 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.389 -0.827 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.636 0.667 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.911 1.077 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.082 2.321 -1.278 1.00 0.00 H new ATOM 1016 N THR A 69 1.101 4.772 2.853 1.00 0.00 N ATOM 1017 CA THR A 69 0.893 6.215 2.795 1.00 0.00 C ATOM 1018 C THR A 69 1.608 6.820 1.592 1.00 0.00 C ATOM 1019 O THR A 69 2.810 7.084 1.638 1.00 0.00 O ATOM 1020 CB THR A 69 1.386 6.875 4.085 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.535 6.550 5.171 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.458 8.384 3.998 1.00 0.00 C ATOM 0 H THR A 69 1.697 4.461 3.620 1.00 0.00 H new ATOM 0 HA THR A 69 -0.176 6.399 2.688 1.00 0.00 H new ATOM 0 HB THR A 69 2.393 6.487 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.813 5.694 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.815 8.787 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.144 8.670 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.467 8.784 3.784 1.00 0.00 H new ATOM 1030 N PHE A 70 0.862 7.040 0.513 1.00 0.00 N ATOM 1031 CA PHE A 70 1.427 7.618 -0.692 1.00 0.00 C ATOM 1032 C PHE A 70 1.647 9.115 -0.520 1.00 0.00 C ATOM 1033 O PHE A 70 0.690 9.882 -0.442 1.00 0.00 O ATOM 1034 CB PHE A 70 0.491 7.372 -1.876 1.00 0.00 C ATOM 1035 CG PHE A 70 0.513 5.965 -2.390 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.169 4.960 -1.728 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.217 5.646 -3.540 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.154 3.662 -2.204 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.236 4.351 -4.020 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.548 3.358 -3.351 1.00 0.00 C ATOM 0 H PHE A 70 -0.133 6.825 0.453 1.00 0.00 H new ATOM 0 HA PHE A 70 2.389 7.142 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.527 7.623 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.762 8.048 -2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.720 5.192 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.757 6.419 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.692 2.887 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.788 4.115 -4.918 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.560 2.345 -3.726 1.00 0.00 H new ATOM 1050 N ASP A 71 2.908 9.528 -0.476 1.00 0.00 N ATOM 1051 CA ASP A 71 3.228 10.941 -0.322 1.00 0.00 C ATOM 1052 C ASP A 71 2.859 11.708 -1.576 1.00 0.00 C ATOM 1053 O ASP A 71 3.625 11.778 -2.537 1.00 0.00 O ATOM 1054 CB ASP A 71 4.704 11.130 -0.016 1.00 0.00 C ATOM 1055 CG ASP A 71 5.090 12.592 0.089 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.500 13.302 0.931 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.982 13.027 -0.664 1.00 0.00 O ATOM 0 H ASP A 71 3.718 8.912 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 71 2.647 11.329 0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.946 10.625 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.298 10.655 -0.797 1.00 0.00 H new ATOM 1062 N PHE A 72 1.672 12.283 -1.543 1.00 0.00 N ATOM 1063 CA PHE A 72 1.154 13.062 -2.659 1.00 0.00 C ATOM 1064 C PHE A 72 1.281 14.553 -2.371 1.00 0.00 C ATOM 1065 O PHE A 72 0.541 15.367 -2.922 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.308 12.706 -2.920 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.503 11.675 -3.997 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.526 10.325 -3.687 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.665 12.059 -5.317 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.707 9.378 -4.674 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.845 11.116 -6.309 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.867 9.775 -5.986 1.00 0.00 C ATOM 0 H PHE A 72 1.039 12.226 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 72 1.740 12.824 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.753 12.339 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.848 13.612 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.401 10.010 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.650 13.108 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.723 8.328 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.968 11.427 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.009 9.036 -6.760 1.00 0.00 H new ATOM 1082 N GLY A 73 2.215 14.906 -1.492 1.00 0.00 N ATOM 1083 CA GLY A 73 2.409 16.298 -1.139 1.00 0.00 C ATOM 1084 C GLY A 73 1.124 16.962 -0.693 1.00 0.00 C ATOM 1085 O GLY A 73 1.027 18.189 -0.659 1.00 0.00 O ATOM 0 H GLY A 73 2.839 14.252 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.148 16.369 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.814 16.835 -1.997 1.00 0.00 H new ATOM 1089 N VAL A 74 0.129 16.148 -0.354 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.156 16.659 0.084 1.00 0.00 C ATOM 1091 C VAL A 74 -1.367 16.403 1.572 1.00 0.00 C ATOM 1092 O VAL A 74 -2.013 17.192 2.261 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.312 16.018 -0.702 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.075 16.158 -2.198 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.479 14.556 -0.321 1.00 0.00 C ATOM 0 H VAL A 74 0.193 15.130 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.151 17.733 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.233 16.541 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.901 15.700 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.010 17.214 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.143 15.660 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.302 14.124 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.560 14.014 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.695 14.480 0.745 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.817 15.296 2.060 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.961 14.956 3.464 1.00 0.00 C ATOM 1107 C GLY A 75 -2.398 14.699 3.859 1.00 0.00 C ATOM 1108 O GLY A 75 -2.811 13.554 4.040 1.00 0.00 O ATOM 0 H GLY A 75 -0.275 14.629 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.365 14.070 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.561 15.767 4.073 1.00 0.00 H new ATOM 1112 N THR A 76 -3.154 15.775 3.994 1.00 0.00 N ATOM 1113 CA THR A 76 -4.562 15.688 4.372 1.00 0.00 C ATOM 1114 C THR A 76 -5.299 14.656 3.524 1.00 0.00 C ATOM 1115 O THR A 76 -5.797 13.654 4.041 1.00 0.00 O ATOM 1116 CB THR A 76 -5.233 17.055 4.225 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.571 18.024 5.016 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.690 17.051 4.627 1.00 0.00 C ATOM 0 H THR A 76 -2.818 16.727 3.847 1.00 0.00 H new ATOM 0 HA THR A 76 -4.610 15.372 5.414 1.00 0.00 H new ATOM 0 HB THR A 76 -5.167 17.298 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.013 18.892 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.106 18.051 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.238 16.347 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.778 16.753 5.672 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.369 14.909 2.221 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.049 14.006 1.303 1.00 0.00 C ATOM 1128 C LYS A 77 -5.116 12.899 0.822 1.00 0.00 C ATOM 1129 O LYS A 77 -5.444 12.155 -0.099 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.603 14.782 0.107 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.321 16.064 0.490 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.100 16.640 -0.675 1.00 0.00 C ATOM 1133 CE LYS A 77 -7.615 18.035 -1.034 1.00 0.00 C ATOM 1134 NZ LYS A 77 -8.300 19.085 -0.230 1.00 0.00 N ATOM 0 H LYS A 77 -4.962 15.733 1.778 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.875 13.542 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.783 15.024 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.292 14.141 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.000 15.867 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.594 16.797 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.000 15.985 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.160 16.676 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.539 18.098 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.789 18.218 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.941 20.022 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.325 19.042 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.113 18.926 0.781 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.957 12.795 1.456 1.00 0.00 N ATOM 1149 CA ASN A 78 -2.975 11.778 1.099 1.00 0.00 C ATOM 1150 C ASN A 78 -3.568 10.378 1.233 1.00 0.00 C ATOM 1151 O ASN A 78 -3.776 9.884 2.342 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.738 11.907 1.988 1.00 0.00 C ATOM 1153 CG ASN A 78 -0.458 11.554 1.259 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -0.211 12.021 0.150 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.361 10.721 1.888 1.00 0.00 N ATOM 0 H ASN A 78 -3.672 13.404 2.223 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.687 11.932 0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.669 12.928 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.849 11.257 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.239 10.442 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.112 10.359 2.809 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.854 9.713 0.103 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.425 8.369 0.108 1.00 0.00 C ATOM 1164 C PRO A 79 -3.444 7.332 0.637 1.00 0.00 C ATOM 1165 O PRO A 79 -2.569 6.851 -0.085 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.768 8.094 -1.358 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.621 9.404 -2.061 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.644 10.213 -1.257 1.00 0.00 C ATOM 0 HA PRO A 79 -5.293 8.305 0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.100 7.345 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.783 7.708 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.259 9.259 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.581 9.915 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.618 10.058 -1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.846 11.282 -1.331 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.597 6.989 1.911 1.00 0.00 N ATOM 1177 CA LYS A 80 -2.731 6.004 2.546 1.00 0.00 C ATOM 1178 C LYS A 80 -3.417 4.644 2.584 1.00 0.00 C ATOM 1179 O LYS A 80 -4.451 4.479 3.229 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.362 6.446 3.962 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.464 7.216 4.671 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.118 7.471 6.128 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.685 8.795 6.611 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.331 8.670 7.949 1.00 0.00 N ATOM 0 H LYS A 80 -4.313 7.379 2.524 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.816 5.921 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.109 5.566 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.468 7.068 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.629 8.167 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.397 6.656 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.509 6.660 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.035 7.471 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.886 9.535 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.414 9.162 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.705 9.595 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.110 7.983 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.629 8.344 8.644 1.00 0.00 H new ATOM 1198 N LEU A 81 -2.838 3.675 1.888 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.394 2.329 1.835 1.00 0.00 C ATOM 1200 C LEU A 81 -3.246 1.632 3.179 1.00 0.00 C ATOM 1201 O LEU A 81 -2.378 1.979 3.972 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.698 1.510 0.747 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.614 0.970 -0.347 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.800 0.260 -1.416 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.653 0.029 0.237 1.00 0.00 C ATOM 0 H LEU A 81 -1.980 3.797 1.350 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.455 2.409 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.931 2.130 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.187 0.670 1.218 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.133 1.812 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.468 -0.120 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.092 0.960 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.256 -0.571 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.295 -0.344 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.153 -0.809 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.258 0.564 0.969 1.00 0.00 H new ATOM 1217 N THR A 82 -4.092 0.642 3.425 1.00 0.00 N ATOM 1218 CA THR A 82 -4.034 -0.100 4.672 1.00 0.00 C ATOM 1219 C THR A 82 -3.796 -1.581 4.397 1.00 0.00 C ATOM 1220 O THR A 82 -4.723 -2.317 4.059 1.00 0.00 O ATOM 1221 CB THR A 82 -5.325 0.083 5.472 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.661 1.455 5.565 1.00 0.00 O ATOM 1223 CG2 THR A 82 -5.243 -0.464 6.878 1.00 0.00 C ATOM 0 H THR A 82 -4.822 0.337 2.781 1.00 0.00 H new ATOM 0 HA THR A 82 -3.203 0.289 5.261 1.00 0.00 H new ATOM 0 HB THR A 82 -6.085 -0.478 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.900 1.794 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.192 -0.301 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.030 -1.532 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.447 0.046 7.421 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.546 -2.008 4.535 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.183 -3.400 4.294 1.00 0.00 C ATOM 1233 C ILE A 83 -2.185 -4.201 5.598 1.00 0.00 C ATOM 1234 O ILE A 83 -1.344 -3.994 6.478 1.00 0.00 O ATOM 1235 CB ILE A 83 -0.802 -3.501 3.604 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -0.663 -4.832 2.860 1.00 0.00 C ATOM 1237 CG2 ILE A 83 0.319 -3.335 4.612 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.295 -4.669 1.399 1.00 0.00 C ATOM 0 H ILE A 83 -1.767 -1.411 4.812 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.933 -3.827 3.627 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.729 -2.692 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.097 -5.438 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.603 -5.380 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.280 -3.410 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.237 -2.359 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.247 -4.117 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.213 -5.651 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.067 -4.090 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.660 -4.149 1.320 1.00 0.00 H new ATOM 1250 N THR A 84 -3.149 -5.112 5.714 1.00 0.00 N ATOM 1251 CA THR A 84 -3.272 -5.941 6.907 1.00 0.00 C ATOM 1252 C THR A 84 -2.639 -7.306 6.691 1.00 0.00 C ATOM 1253 O THR A 84 -3.176 -8.150 5.973 1.00 0.00 O ATOM 1254 CB THR A 84 -4.739 -6.104 7.302 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.485 -4.953 6.951 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.933 -6.344 8.783 1.00 0.00 C ATOM 0 H THR A 84 -3.853 -5.293 4.998 1.00 0.00 H new ATOM 0 HA THR A 84 -2.742 -5.438 7.716 1.00 0.00 H new ATOM 0 HB THR A 84 -5.090 -6.981 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.422 -5.078 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.996 -6.451 8.998 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.410 -7.254 9.076 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.533 -5.499 9.344 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.490 -7.519 7.323 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.776 -8.766 7.213 1.00 0.00 C ATOM 1266 C VAL A 85 -1.164 -9.719 8.338 1.00 0.00 C ATOM 1267 O VAL A 85 -0.706 -9.574 9.475 1.00 0.00 O ATOM 1268 CB VAL A 85 0.730 -8.523 7.253 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.245 -8.160 5.871 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.078 -7.441 8.264 1.00 0.00 C ATOM 0 H VAL A 85 -1.037 -6.829 7.922 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.045 -9.219 6.259 1.00 0.00 H new ATOM 0 HB VAL A 85 1.218 -9.445 7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.321 -7.990 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.036 -8.976 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.749 -7.254 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.157 -7.286 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.580 -6.511 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.746 -7.749 9.256 1.00 0.00 H new ATOM 1280 N LEU A 86 -2.014 -10.689 8.011 1.00 0.00 N ATOM 1281 CA LEU A 86 -2.475 -11.670 8.985 1.00 0.00 C ATOM 1282 C LEU A 86 -1.356 -12.643 9.349 1.00 0.00 C ATOM 1283 O LEU A 86 -0.313 -12.673 8.698 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.677 -12.437 8.425 1.00 0.00 C ATOM 1285 CG LEU A 86 -5.044 -11.863 8.800 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.893 -11.653 7.558 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -5.754 -12.776 9.788 1.00 0.00 C ATOM 0 H LEU A 86 -2.398 -10.815 7.074 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.776 -11.142 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.597 -12.464 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.625 -13.468 8.774 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.892 -10.895 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.862 -11.244 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.390 -10.957 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.037 -12.607 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.725 -12.351 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.895 -13.759 9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.152 -12.873 10.691 1.00 0.00 H new