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 65 THR OG1 : rot -76:sc= 0.831 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0.568 USER MOD Set 1.3: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 42 GLN : amide:sc= -6.84! C(o=-13!,f=-36!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -171:sc= -6.11! (180deg=-4.14!) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 TYR OH : rot 69:sc= -1.41! USER MOD Set 4.1: A 14 LYS NZ :NH3+ -117:sc= -1.17! (180deg=-2.86!) USER MOD Set 4.2: A 17 SER OG : rot 69:sc= -2.5 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -22.4! C(o=-22!,f=-28!) USER MOD Single : A 9 THR OG1 : rot -84:sc= 0.992 USER MOD Single : A 10 SER OG : rot 180:sc= -0.328 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -19:sc= 0.738 USER MOD Single : A 22 LYS NZ :NH3+ -116:sc= -0.0195 (180deg=-1.53!) USER MOD Single : A 24 THR OG1 : rot -58:sc= 1.05 USER MOD Single : A 26 THR OG1 : rot -157:sc= -3.21! USER MOD Single : A 28 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.0058) USER MOD Single : A 30 ASN : amide:sc= -14.6! C(o=-15!,f=-15!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0657 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= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -60:sc= 0.32 USER MOD Single : A 48 ASN : amide:sc= -4.23! K(o=-4.2!,f=-3) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 58 ASN : amide:sc= -0.765 K(o=-0.77,f=-2.5!) USER MOD Single : A 59 THR OG1 : rot -64:sc= -0.139 USER MOD Single : A 63 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.5) USER MOD Single : A 64 THR OG1 : rot -78:sc= 1 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+ -153:sc= -3.93! (180deg=-4.95!) USER MOD Single : A 78 ASN : amide:sc= -11! C(o=-11!,f=-18!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -150:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.372 17.492 -6.159 1.00 0.00 N ATOM 38 CA ASP A 3 -6.491 16.578 -6.358 1.00 0.00 C ATOM 39 C ASP A 3 -6.035 15.299 -7.056 1.00 0.00 C ATOM 40 O ASP A 3 -6.238 15.126 -8.257 1.00 0.00 O ATOM 41 CB ASP A 3 -7.590 17.255 -7.181 1.00 0.00 C ATOM 42 CG ASP A 3 -7.037 18.003 -8.379 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.253 18.953 -8.176 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.389 17.638 -9.520 1.00 0.00 O ATOM 0 HA ASP A 3 -6.888 16.314 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.300 16.502 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.141 17.948 -6.546 1.00 0.00 H new ATOM 49 N PRO A 4 -5.397 14.385 -6.311 1.00 0.00 N ATOM 50 CA PRO A 4 -4.906 13.123 -6.847 1.00 0.00 C ATOM 51 C PRO A 4 -5.940 12.011 -6.743 1.00 0.00 C ATOM 52 O PRO A 4 -6.764 12.000 -5.830 1.00 0.00 O ATOM 53 CB PRO A 4 -3.717 12.825 -5.941 1.00 0.00 C ATOM 54 CG PRO A 4 -4.088 13.411 -4.615 1.00 0.00 C ATOM 55 CD PRO A 4 -5.094 14.512 -4.875 1.00 0.00 C ATOM 0 HA PRO A 4 -4.663 13.184 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.538 11.753 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.802 13.273 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.513 12.648 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.207 13.807 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.989 14.387 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.682 15.493 -4.639 1.00 0.00 H new ATOM 63 N THR A 5 -5.886 11.065 -7.675 1.00 0.00 N ATOM 64 CA THR A 5 -6.821 9.946 -7.659 1.00 0.00 C ATOM 65 C THR A 5 -6.121 8.683 -7.177 1.00 0.00 C ATOM 66 O THR A 5 -4.936 8.478 -7.443 1.00 0.00 O ATOM 67 CB THR A 5 -7.454 9.733 -9.042 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.726 10.355 -9.106 1.00 0.00 O ATOM 69 CG2 THR A 5 -7.641 8.277 -9.413 1.00 0.00 C ATOM 0 H THR A 5 -5.214 11.050 -8.442 1.00 0.00 H new ATOM 0 HA THR A 5 -7.627 10.181 -6.963 1.00 0.00 H new ATOM 0 HB THR A 5 -6.751 10.177 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.116 10.212 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.093 8.209 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.673 7.776 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.292 7.796 -8.683 1.00 0.00 H new ATOM 77 N ILE A 6 -6.853 7.847 -6.451 1.00 0.00 N ATOM 78 CA ILE A 6 -6.292 6.616 -5.916 1.00 0.00 C ATOM 79 C ILE A 6 -7.316 5.493 -5.897 1.00 0.00 C ATOM 80 O ILE A 6 -8.509 5.726 -5.705 1.00 0.00 O ATOM 81 CB ILE A 6 -5.781 6.830 -4.484 1.00 0.00 C ATOM 82 CG1 ILE A 6 -5.218 5.530 -3.907 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.904 7.363 -3.605 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.911 5.103 -4.538 1.00 0.00 C ATOM 0 H ILE A 6 -7.835 8.000 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.467 6.336 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.975 7.563 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.071 5.652 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.952 4.735 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.533 7.512 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.259 8.313 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.725 6.646 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.572 4.174 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.057 4.948 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.161 5.879 -4.383 1.00 0.00 H new ATOM 96 N ASN A 7 -6.838 4.272 -6.094 1.00 0.00 N ATOM 97 CA ASN A 7 -7.711 3.111 -6.092 1.00 0.00 C ATOM 98 C ASN A 7 -8.307 2.851 -4.720 1.00 0.00 C ATOM 99 O ASN A 7 -9.145 3.644 -4.286 1.00 0.00 O ATOM 100 CB ASN A 7 -7.010 1.906 -6.725 1.00 0.00 C ATOM 101 CG ASN A 7 -5.543 1.778 -6.339 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.780 1.095 -7.019 1.00 0.00 O ATOM 103 ND2 ASN A 7 -5.138 2.432 -5.253 1.00 0.00 N ATOM 0 H ASN A 7 -5.853 4.062 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.574 3.317 -6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.534 0.997 -6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.086 1.982 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.163 2.377 -4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.803 2.989 -4.715 1.00 0.00 H new ATOM 110 N PRO A 8 -7.986 1.771 -3.997 1.00 0.00 N ATOM 111 CA PRO A 8 -8.619 1.552 -2.731 1.00 0.00 C ATOM 112 C PRO A 8 -7.784 2.017 -1.547 1.00 0.00 C ATOM 113 O PRO A 8 -6.822 2.767 -1.706 1.00 0.00 O ATOM 114 CB PRO A 8 -8.772 0.054 -2.734 1.00 0.00 C ATOM 115 CG PRO A 8 -7.538 -0.445 -3.411 1.00 0.00 C ATOM 116 CD PRO A 8 -7.062 0.664 -4.311 1.00 0.00 C ATOM 0 HA PRO A 8 -9.547 2.112 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.856 -0.339 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.670 -0.252 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.773 -0.705 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.749 -1.347 -3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.026 0.933 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.115 0.381 -5.362 1.00 0.00 H new ATOM 124 N THR A 9 -8.172 1.574 -0.356 1.00 0.00 N ATOM 125 CA THR A 9 -7.469 1.956 0.857 1.00 0.00 C ATOM 126 C THR A 9 -7.642 0.907 1.955 1.00 0.00 C ATOM 127 O THR A 9 -7.340 1.169 3.117 1.00 0.00 O ATOM 128 CB THR A 9 -7.992 3.305 1.347 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.669 4.332 0.425 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.453 3.714 2.701 1.00 0.00 C ATOM 0 H THR A 9 -8.967 0.952 -0.208 1.00 0.00 H new ATOM 0 HA THR A 9 -6.406 2.031 0.626 1.00 0.00 H new ATOM 0 HB THR A 9 -9.071 3.175 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.760 4.655 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.869 4.682 2.981 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.734 2.969 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.366 3.787 2.653 1.00 0.00 H new ATOM 138 N SER A 10 -8.131 -0.274 1.597 1.00 0.00 N ATOM 139 CA SER A 10 -8.331 -1.319 2.598 1.00 0.00 C ATOM 140 C SER A 10 -8.237 -2.728 2.013 1.00 0.00 C ATOM 141 O SER A 10 -8.935 -3.066 1.055 1.00 0.00 O ATOM 142 CB SER A 10 -9.690 -1.135 3.279 1.00 0.00 C ATOM 143 OG SER A 10 -9.983 0.232 3.469 1.00 0.00 O ATOM 0 H SER A 10 -8.392 -0.531 0.645 1.00 0.00 H new ATOM 0 HA SER A 10 -7.526 -1.218 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.469 -1.596 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.690 -1.647 4.241 1.00 0.00 H new ATOM 0 HG SER A 10 -10.857 0.322 3.904 1.00 0.00 H new ATOM 149 N ILE A 11 -7.388 -3.548 2.626 1.00 0.00 N ATOM 150 CA ILE A 11 -7.208 -4.942 2.207 1.00 0.00 C ATOM 151 C ILE A 11 -6.692 -5.792 3.367 1.00 0.00 C ATOM 152 O ILE A 11 -6.131 -5.269 4.330 1.00 0.00 O ATOM 153 CB ILE A 11 -6.239 -5.075 1.012 1.00 0.00 C ATOM 154 CG1 ILE A 11 -6.372 -6.461 0.379 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.806 -4.826 1.449 1.00 0.00 C ATOM 156 CD1 ILE A 11 -6.121 -6.470 -1.108 1.00 0.00 C ATOM 0 H ILE A 11 -6.809 -3.273 3.419 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.188 -5.300 1.892 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.502 -4.322 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.670 -7.141 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.373 -6.846 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.141 -4.925 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.721 -3.820 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.526 -5.554 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.232 -7.485 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.839 -5.816 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.110 -6.116 -1.308 1.00 0.00 H new ATOM 168 N SER A 12 -6.884 -7.103 3.275 1.00 0.00 N ATOM 169 CA SER A 12 -6.432 -8.007 4.333 1.00 0.00 C ATOM 170 C SER A 12 -6.034 -9.370 3.788 1.00 0.00 C ATOM 171 O SER A 12 -6.743 -9.966 2.975 1.00 0.00 O ATOM 172 CB SER A 12 -7.521 -8.185 5.389 1.00 0.00 C ATOM 173 OG SER A 12 -8.679 -7.432 5.066 1.00 0.00 O ATOM 0 H SER A 12 -7.344 -7.563 2.489 1.00 0.00 H new ATOM 0 HA SER A 12 -5.552 -7.550 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.782 -9.240 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.142 -7.873 6.362 1.00 0.00 H new ATOM 0 HG SER A 12 -9.360 -7.566 5.758 1.00 0.00 H new ATOM 179 N ALA A 13 -4.896 -9.863 4.257 1.00 0.00 N ATOM 180 CA ALA A 13 -4.380 -11.156 3.849 1.00 0.00 C ATOM 181 C ALA A 13 -3.180 -11.547 4.702 1.00 0.00 C ATOM 182 O ALA A 13 -2.642 -10.736 5.458 1.00 0.00 O ATOM 183 CB ALA A 13 -4.008 -11.143 2.374 1.00 0.00 C ATOM 0 H ALA A 13 -4.306 -9.375 4.931 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.163 -11.900 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.623 -12.122 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.891 -10.911 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.243 -10.387 2.198 1.00 0.00 H new ATOM 189 N LYS A 14 -2.759 -12.789 4.561 1.00 0.00 N ATOM 190 CA LYS A 14 -1.605 -13.289 5.298 1.00 0.00 C ATOM 191 C LYS A 14 -0.332 -12.645 4.761 1.00 0.00 C ATOM 192 O LYS A 14 -0.199 -12.438 3.557 1.00 0.00 O ATOM 193 CB LYS A 14 -1.516 -14.812 5.181 1.00 0.00 C ATOM 194 CG LYS A 14 -1.272 -15.512 6.507 1.00 0.00 C ATOM 195 CD LYS A 14 -0.452 -16.778 6.326 1.00 0.00 C ATOM 196 CE LYS A 14 0.893 -16.483 5.693 1.00 0.00 C ATOM 197 NZ LYS A 14 0.878 -16.712 4.220 1.00 0.00 N ATOM 0 H LYS A 14 -3.196 -13.474 3.944 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.719 -13.030 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.442 -15.189 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.712 -15.068 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.754 -14.836 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.227 -15.759 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.303 -17.257 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.002 -17.483 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.171 -15.449 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.655 -17.114 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.544 -17.474 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.080 -16.983 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.160 -15.839 3.730 1.00 0.00 H new ATOM 211 N ALA A 15 0.595 -12.319 5.646 1.00 0.00 N ATOM 212 CA ALA A 15 1.833 -11.696 5.207 1.00 0.00 C ATOM 213 C ALA A 15 2.569 -12.604 4.254 1.00 0.00 C ATOM 214 O ALA A 15 3.207 -13.578 4.654 1.00 0.00 O ATOM 215 CB ALA A 15 2.716 -11.300 6.385 1.00 0.00 C ATOM 0 H ALA A 15 0.518 -12.471 6.652 1.00 0.00 H new ATOM 0 HA ALA A 15 1.576 -10.777 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.631 -10.838 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.182 -10.591 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.967 -12.187 6.966 1.00 0.00 H new ATOM 221 N GLY A 16 2.450 -12.275 2.984 1.00 0.00 N ATOM 222 CA GLY A 16 3.071 -13.051 1.949 1.00 0.00 C ATOM 223 C GLY A 16 2.069 -13.447 0.897 1.00 0.00 C ATOM 224 O GLY A 16 2.389 -13.513 -0.279 1.00 0.00 O ATOM 0 H GLY A 16 1.923 -11.468 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.876 -12.476 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.523 -13.944 2.381 1.00 0.00 H new ATOM 228 N SER A 17 0.830 -13.670 1.312 1.00 0.00 N ATOM 229 CA SER A 17 -0.204 -14.039 0.379 1.00 0.00 C ATOM 230 C SER A 17 -0.522 -12.868 -0.536 1.00 0.00 C ATOM 231 O SER A 17 -1.445 -12.916 -1.352 1.00 0.00 O ATOM 232 CB SER A 17 -1.447 -14.452 1.157 1.00 0.00 C ATOM 233 OG SER A 17 -1.282 -14.232 2.548 1.00 0.00 O ATOM 0 H SER A 17 0.526 -13.600 2.283 1.00 0.00 H new ATOM 0 HA SER A 17 0.135 -14.873 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.308 -13.888 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.658 -15.506 0.976 1.00 0.00 H new ATOM 0 HG SER A 17 -1.260 -13.269 2.727 1.00 0.00 H new ATOM 239 N PHE A 18 0.268 -11.820 -0.415 1.00 0.00 N ATOM 240 CA PHE A 18 0.095 -10.650 -1.221 1.00 0.00 C ATOM 241 C PHE A 18 1.035 -10.695 -2.401 1.00 0.00 C ATOM 242 O PHE A 18 2.136 -10.148 -2.351 1.00 0.00 O ATOM 243 CB PHE A 18 0.385 -9.425 -0.382 1.00 0.00 C ATOM 244 CG PHE A 18 -0.547 -9.245 0.772 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.447 -10.058 1.888 1.00 0.00 C ATOM 246 CD2 PHE A 18 -1.518 -8.256 0.751 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.297 -9.890 2.962 1.00 0.00 C ATOM 248 CE2 PHE A 18 -2.374 -8.085 1.823 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.262 -8.904 2.930 1.00 0.00 C ATOM 0 H PHE A 18 1.043 -11.765 0.246 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.930 -10.609 -1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.406 -9.489 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.335 -8.541 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.305 -10.833 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.607 -7.612 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.207 -10.530 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.129 -7.313 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.929 -8.773 3.769 1.00 0.00 H new ATOM 259 N ALA A 19 0.599 -11.345 -3.458 1.00 0.00 N ATOM 260 CA ALA A 19 1.427 -11.449 -4.648 1.00 0.00 C ATOM 261 C ALA A 19 1.573 -10.077 -5.286 1.00 0.00 C ATOM 262 O ALA A 19 0.763 -9.187 -5.034 1.00 0.00 O ATOM 263 CB ALA A 19 0.820 -12.438 -5.635 1.00 0.00 C ATOM 0 H ALA A 19 -0.309 -11.804 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 19 2.414 -11.817 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.453 -12.504 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.747 -13.420 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.175 -12.099 -5.924 1.00 0.00 H new ATOM 269 N ASP A 20 2.619 -9.898 -6.089 1.00 0.00 N ATOM 270 CA ASP A 20 2.874 -8.613 -6.733 1.00 0.00 C ATOM 271 C ASP A 20 1.563 -7.918 -7.075 1.00 0.00 C ATOM 272 O ASP A 20 0.813 -8.377 -7.935 1.00 0.00 O ATOM 273 CB ASP A 20 3.709 -8.807 -8.001 1.00 0.00 C ATOM 274 CG ASP A 20 3.912 -7.513 -8.764 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.049 -7.176 -9.601 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.933 -6.836 -8.523 1.00 0.00 O ATOM 0 H ASP A 20 3.301 -10.624 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 20 3.432 -7.987 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.680 -9.223 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.218 -9.534 -8.648 1.00 0.00 H new ATOM 281 N THR A 21 1.278 -6.815 -6.382 1.00 0.00 N ATOM 282 CA THR A 21 0.055 -6.085 -6.606 1.00 0.00 C ATOM 283 C THR A 21 0.328 -4.812 -7.379 1.00 0.00 C ATOM 284 O THR A 21 1.467 -4.370 -7.501 1.00 0.00 O ATOM 285 CB THR A 21 -0.619 -5.760 -5.276 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.383 -6.788 -4.329 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.117 -5.583 -5.395 1.00 0.00 C ATOM 0 H THR A 21 1.884 -6.417 -5.664 1.00 0.00 H new ATOM 0 HA THR A 21 -0.615 -6.710 -7.196 1.00 0.00 H new ATOM 0 HB THR A 21 -0.180 -4.816 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.108 -7.605 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.535 -5.354 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.333 -4.765 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.563 -6.503 -5.774 1.00 0.00 H new ATOM 295 N LYS A 22 -0.732 -4.243 -7.893 1.00 0.00 N ATOM 296 CA LYS A 22 -0.662 -3.021 -8.668 1.00 0.00 C ATOM 297 C LYS A 22 -1.704 -2.011 -8.206 1.00 0.00 C ATOM 298 O LYS A 22 -2.797 -2.378 -7.773 1.00 0.00 O ATOM 299 CB LYS A 22 -0.846 -3.327 -10.153 1.00 0.00 C ATOM 300 CG LYS A 22 -0.953 -2.088 -11.028 1.00 0.00 C ATOM 301 CD LYS A 22 -2.331 -1.967 -11.658 1.00 0.00 C ATOM 302 CE LYS A 22 -3.281 -1.179 -10.770 1.00 0.00 C ATOM 303 NZ LYS A 22 -4.112 -2.068 -9.913 1.00 0.00 N ATOM 0 H LYS A 22 -1.676 -4.613 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 22 0.323 -2.581 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.006 -3.931 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.745 -3.929 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.746 -1.200 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.196 -2.128 -11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.247 -1.477 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.739 -2.962 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.708 -0.500 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.931 -0.564 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.114 -1.963 -10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.820 -3.056 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.984 -1.807 -8.915 1.00 0.00 H new ATOM 317 N ILE A 23 -1.352 -0.734 -8.301 1.00 0.00 N ATOM 318 CA ILE A 23 -2.236 0.340 -7.897 1.00 0.00 C ATOM 319 C ILE A 23 -2.158 1.491 -8.893 1.00 0.00 C ATOM 320 O ILE A 23 -1.172 1.627 -9.617 1.00 0.00 O ATOM 321 CB ILE A 23 -1.884 0.841 -6.488 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.610 0.002 -5.431 1.00 0.00 C ATOM 323 CG2 ILE A 23 -2.212 2.322 -6.327 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.638 0.635 -4.057 1.00 0.00 C ATOM 0 H ILE A 23 -0.450 -0.421 -8.659 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.254 -0.049 -7.880 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.809 0.727 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.634 -0.172 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.127 -0.973 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.951 2.645 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.642 2.902 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.278 2.479 -6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.169 -0.019 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.618 0.784 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.148 1.597 -4.110 1.00 0.00 H new ATOM 336 N THR A 24 -3.197 2.323 -8.926 1.00 0.00 N ATOM 337 CA THR A 24 -3.223 3.458 -9.839 1.00 0.00 C ATOM 338 C THR A 24 -3.348 4.767 -9.073 1.00 0.00 C ATOM 339 O THR A 24 -4.377 5.041 -8.456 1.00 0.00 O ATOM 340 CB THR A 24 -4.380 3.317 -10.829 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.571 1.961 -11.189 1.00 0.00 O ATOM 342 CG2 THR A 24 -4.173 4.106 -12.106 1.00 0.00 C ATOM 0 H THR A 24 -4.024 2.232 -8.336 1.00 0.00 H new ATOM 0 HA THR A 24 -2.283 3.471 -10.391 1.00 0.00 H new ATOM 0 HB THR A 24 -5.253 3.714 -10.311 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.746 1.608 -11.582 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.029 3.963 -12.765 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.072 5.165 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.269 3.759 -12.606 1.00 0.00 H new ATOM 350 N LEU A 25 -2.292 5.573 -9.111 1.00 0.00 N ATOM 351 CA LEU A 25 -2.287 6.852 -8.415 1.00 0.00 C ATOM 352 C LEU A 25 -2.217 8.008 -9.411 1.00 0.00 C ATOM 353 O LEU A 25 -1.138 8.361 -9.890 1.00 0.00 O ATOM 354 CB LEU A 25 -1.101 6.901 -7.458 1.00 0.00 C ATOM 355 CG LEU A 25 -1.473 6.927 -5.979 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.227 6.975 -5.110 1.00 0.00 C ATOM 357 CD2 LEU A 25 -2.383 8.110 -5.684 1.00 0.00 C ATOM 0 H LEU A 25 -1.431 5.363 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.213 6.953 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.467 6.034 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.506 7.786 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.012 6.010 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.517 6.993 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.385 6.094 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.345 7.873 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.640 8.116 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.869 9.037 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.293 8.026 -6.278 1.00 0.00 H new ATOM 369 N THR A 26 -3.369 8.592 -9.732 1.00 0.00 N ATOM 370 CA THR A 26 -3.424 9.698 -10.686 1.00 0.00 C ATOM 371 C THR A 26 -2.791 10.956 -10.104 1.00 0.00 C ATOM 372 O THR A 26 -3.271 11.499 -9.103 1.00 0.00 O ATOM 373 CB THR A 26 -4.867 9.983 -11.083 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.635 8.794 -11.081 1.00 0.00 O ATOM 375 CG2 THR A 26 -4.998 10.614 -12.451 1.00 0.00 C ATOM 0 H THR A 26 -4.274 8.320 -9.348 1.00 0.00 H new ATOM 0 HA THR A 26 -2.859 9.405 -11.571 1.00 0.00 H new ATOM 0 HB THR A 26 -5.235 10.689 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.415 8.907 -11.663 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.051 10.790 -12.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.460 11.562 -12.467 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.577 9.945 -13.202 1.00 0.00 H new ATOM 383 N PRO A 27 -1.699 11.431 -10.736 1.00 0.00 N ATOM 384 CA PRO A 27 -0.963 12.625 -10.316 1.00 0.00 C ATOM 385 C PRO A 27 -1.478 13.893 -10.974 1.00 0.00 C ATOM 386 O PRO A 27 -0.908 14.954 -10.793 1.00 0.00 O ATOM 387 CB PRO A 27 0.417 12.317 -10.842 1.00 0.00 C ATOM 388 CG PRO A 27 0.140 11.685 -12.157 1.00 0.00 C ATOM 389 CD PRO A 27 -1.080 10.831 -11.937 1.00 0.00 C ATOM 0 HA PRO A 27 -1.036 12.810 -9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.020 13.219 -10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.961 11.645 -10.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.040 12.437 -12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.986 11.084 -12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.752 10.861 -12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.816 9.786 -11.775 1.00 0.00 H new ATOM 397 N ASN A 28 -2.532 13.730 -11.762 1.00 0.00 N ATOM 398 CA ASN A 28 -3.174 14.786 -12.521 1.00 0.00 C ATOM 399 C ASN A 28 -3.198 16.081 -11.742 1.00 0.00 C ATOM 400 O ASN A 28 -4.242 16.579 -11.323 1.00 0.00 O ATOM 401 CB ASN A 28 -4.599 14.375 -12.894 1.00 0.00 C ATOM 402 CG ASN A 28 -4.895 14.585 -14.366 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.852 15.271 -14.727 1.00 0.00 O ATOM 404 ND2 ASN A 28 -4.073 13.996 -15.223 1.00 0.00 N ATOM 0 H ASN A 28 -2.978 12.822 -11.893 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.596 14.946 -13.431 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.749 13.325 -12.642 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.308 14.950 -12.298 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.221 14.102 -16.227 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.293 13.437 -14.879 1.00 0.00 H new ATOM 411 N GLY A 29 -2.010 16.596 -11.563 1.00 0.00 N ATOM 412 CA GLY A 29 -1.806 17.835 -10.836 1.00 0.00 C ATOM 413 C GLY A 29 -0.966 17.632 -9.593 1.00 0.00 C ATOM 414 O GLY A 29 -0.233 18.525 -9.167 1.00 0.00 O ATOM 0 H GLY A 29 -1.151 16.173 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.320 18.562 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.772 18.254 -10.556 1.00 0.00 H new ATOM 418 N ASN A 30 -1.073 16.443 -9.023 1.00 0.00 N ATOM 419 CA ASN A 30 -0.329 16.074 -7.826 1.00 0.00 C ATOM 420 C ASN A 30 0.845 15.179 -8.187 1.00 0.00 C ATOM 421 O ASN A 30 0.935 14.670 -9.302 1.00 0.00 O ATOM 422 CB ASN A 30 -1.244 15.350 -6.837 1.00 0.00 C ATOM 423 CG ASN A 30 -2.717 15.542 -7.141 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.415 16.262 -6.434 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.200 14.890 -8.196 1.00 0.00 N ATOM 0 H ASN A 30 -1.679 15.703 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 30 0.050 16.985 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.012 14.285 -6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.037 15.710 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.186 14.979 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.585 14.301 -8.757 1.00 0.00 H new ATOM 432 N THR A 31 1.746 14.985 -7.233 1.00 0.00 N ATOM 433 CA THR A 31 2.914 14.147 -7.446 1.00 0.00 C ATOM 434 C THR A 31 3.087 13.156 -6.302 1.00 0.00 C ATOM 435 O THR A 31 2.590 13.375 -5.199 1.00 0.00 O ATOM 436 CB THR A 31 4.173 15.003 -7.587 1.00 0.00 C ATOM 437 OG1 THR A 31 5.328 14.185 -7.656 1.00 0.00 O ATOM 438 CG2 THR A 31 4.365 15.976 -6.443 1.00 0.00 C ATOM 0 H THR A 31 1.688 15.399 -6.302 1.00 0.00 H new ATOM 0 HA THR A 31 2.761 13.589 -8.370 1.00 0.00 H new ATOM 0 HB THR A 31 4.037 15.572 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.124 14.750 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.276 16.552 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.512 16.652 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.446 15.425 -5.506 1.00 0.00 H new ATOM 446 N PHE A 32 3.799 12.070 -6.574 1.00 0.00 N ATOM 447 CA PHE A 32 4.043 11.044 -5.568 1.00 0.00 C ATOM 448 C PHE A 32 5.511 11.014 -5.161 1.00 0.00 C ATOM 449 O PHE A 32 6.401 10.975 -6.011 1.00 0.00 O ATOM 450 CB PHE A 32 3.627 9.670 -6.094 1.00 0.00 C ATOM 451 CG PHE A 32 3.741 8.573 -5.072 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.485 8.824 -3.737 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.115 7.294 -5.452 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.595 7.819 -2.798 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.227 6.285 -4.516 1.00 0.00 C ATOM 456 CZ PHE A 32 3.966 6.549 -3.186 1.00 0.00 C ATOM 0 H PHE A 32 4.218 11.877 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 32 3.444 11.289 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.596 9.722 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.245 9.418 -6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.196 9.817 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.321 7.084 -6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.390 8.027 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.518 5.291 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.052 5.762 -2.451 1.00 0.00 H new ATOM 466 N ASN A 33 5.755 11.027 -3.859 1.00 0.00 N ATOM 467 CA ASN A 33 7.114 10.994 -3.335 1.00 0.00 C ATOM 468 C ASN A 33 7.480 9.580 -2.896 1.00 0.00 C ATOM 469 O ASN A 33 8.652 9.202 -2.891 1.00 0.00 O ATOM 470 CB ASN A 33 7.257 11.962 -2.158 1.00 0.00 C ATOM 471 CG ASN A 33 8.007 13.223 -2.537 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.214 13.332 -2.316 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.294 14.188 -3.107 1.00 0.00 N ATOM 0 H ASN A 33 5.028 11.060 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 33 7.795 11.303 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.267 12.228 -1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.779 11.463 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.744 15.061 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.296 14.055 -3.272 1.00 0.00 H new ATOM 480 N GLY A 34 6.466 8.807 -2.528 1.00 0.00 N ATOM 481 CA GLY A 34 6.690 7.443 -2.092 1.00 0.00 C ATOM 482 C GLY A 34 6.056 7.151 -0.745 1.00 0.00 C ATOM 483 O GLY A 34 5.557 8.056 -0.078 1.00 0.00 O ATOM 0 H GLY A 34 5.490 9.102 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.286 6.756 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.762 7.255 -2.033 1.00 0.00 H new ATOM 487 N ILE A 35 6.084 5.884 -0.343 1.00 0.00 N ATOM 488 CA ILE A 35 5.524 5.477 0.931 1.00 0.00 C ATOM 489 C ILE A 35 6.641 5.271 1.943 1.00 0.00 C ATOM 490 O ILE A 35 7.297 4.229 1.965 1.00 0.00 O ATOM 491 CB ILE A 35 4.702 4.183 0.816 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.927 4.161 -0.497 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.756 4.050 1.997 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.228 2.848 -0.764 1.00 0.00 C ATOM 0 H ILE A 35 6.491 5.123 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 35 4.855 6.272 1.260 1.00 0.00 H new ATOM 0 HB ILE A 35 5.386 3.334 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.187 4.961 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.613 4.372 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.181 3.129 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.331 4.024 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.076 4.902 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.697 2.905 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.965 2.046 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.517 2.645 0.037 1.00 0.00 H new ATOM 506 N SER A 36 6.856 6.279 2.768 1.00 0.00 N ATOM 507 CA SER A 36 7.912 6.235 3.782 1.00 0.00 C ATOM 508 C SER A 36 7.716 5.064 4.721 1.00 0.00 C ATOM 509 O SER A 36 8.666 4.343 5.029 1.00 0.00 O ATOM 510 CB SER A 36 7.962 7.546 4.567 1.00 0.00 C ATOM 511 OG SER A 36 9.134 8.280 4.256 1.00 0.00 O ATOM 0 H SER A 36 6.316 7.144 2.761 1.00 0.00 H new ATOM 0 HA SER A 36 8.864 6.102 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.081 8.146 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.934 7.335 5.636 1.00 0.00 H new ATOM 0 HG SER A 36 9.143 9.115 4.769 1.00 0.00 H new ATOM 517 N GLU A 37 6.485 4.855 5.161 1.00 0.00 N ATOM 518 CA GLU A 37 6.188 3.740 6.042 1.00 0.00 C ATOM 519 C GLU A 37 6.863 2.485 5.489 1.00 0.00 C ATOM 520 O GLU A 37 7.250 1.588 6.232 1.00 0.00 O ATOM 521 CB GLU A 37 4.671 3.572 6.176 1.00 0.00 C ATOM 522 CG GLU A 37 4.193 2.141 6.344 1.00 0.00 C ATOM 523 CD GLU A 37 3.161 1.766 5.306 1.00 0.00 C ATOM 524 OE1 GLU A 37 2.945 2.564 4.366 1.00 0.00 O ATOM 525 OE2 GLU A 37 2.561 0.676 5.429 1.00 0.00 O ATOM 0 H GLU A 37 5.682 5.438 4.924 1.00 0.00 H new ATOM 0 HA GLU A 37 6.579 3.925 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.331 4.155 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.195 3.996 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.044 1.463 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.769 2.015 7.340 1.00 0.00 H new ATOM 532 N LEU A 38 7.034 2.467 4.165 1.00 0.00 N ATOM 533 CA LEU A 38 7.696 1.373 3.481 1.00 0.00 C ATOM 534 C LEU A 38 8.544 1.913 2.332 1.00 0.00 C ATOM 535 O LEU A 38 8.064 2.049 1.207 1.00 0.00 O ATOM 536 CB LEU A 38 6.692 0.347 2.957 1.00 0.00 C ATOM 537 CG LEU A 38 5.241 0.815 2.857 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.809 0.932 1.404 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.333 -0.138 3.610 1.00 0.00 C ATOM 0 H LEU A 38 6.715 3.212 3.546 1.00 0.00 H new ATOM 0 HA LEU A 38 8.340 0.869 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.017 0.024 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.726 -0.528 3.606 1.00 0.00 H new ATOM 0 HG LEU A 38 5.164 1.803 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.773 1.267 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.446 1.653 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.898 -0.040 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.301 0.205 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.417 -1.136 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.627 -0.168 4.659 1.00 0.00 H new ATOM 551 N GLN A 39 9.798 2.238 2.644 1.00 0.00 N ATOM 552 CA GLN A 39 10.741 2.788 1.693 1.00 0.00 C ATOM 553 C GLN A 39 10.482 2.263 0.305 1.00 0.00 C ATOM 554 O GLN A 39 10.977 1.217 -0.104 1.00 0.00 O ATOM 555 CB GLN A 39 12.172 2.463 2.113 1.00 0.00 C ATOM 556 CG GLN A 39 13.226 3.006 1.162 1.00 0.00 C ATOM 557 CD GLN A 39 14.222 3.919 1.853 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.354 5.092 1.501 1.00 0.00 O ATOM 559 NE2 GLN A 39 14.926 3.383 2.842 1.00 0.00 N ATOM 0 H GLN A 39 10.185 2.122 3.580 1.00 0.00 H new ATOM 0 HA GLN A 39 10.610 3.870 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.350 2.869 3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.283 1.381 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.760 2.173 0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.736 3.553 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.783 2.406 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.610 3.948 3.345 1.00 0.00 H new ATOM 568 N SER A 40 9.671 3.051 -0.358 1.00 0.00 N ATOM 569 CA SER A 40 9.205 2.841 -1.737 1.00 0.00 C ATOM 570 C SER A 40 9.721 1.554 -2.361 1.00 0.00 C ATOM 571 O SER A 40 8.977 0.843 -3.029 1.00 0.00 O ATOM 572 CB SER A 40 9.611 4.030 -2.609 1.00 0.00 C ATOM 573 OG SER A 40 9.544 5.243 -1.880 1.00 0.00 O ATOM 0 H SER A 40 9.291 3.902 0.056 1.00 0.00 H new ATOM 0 HA SER A 40 8.120 2.754 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.624 3.882 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.956 4.088 -3.478 1.00 0.00 H new ATOM 0 HG SER A 40 9.810 5.988 -2.459 1.00 0.00 H new ATOM 579 N SER A 41 10.987 1.265 -2.147 1.00 0.00 N ATOM 580 CA SER A 41 11.593 0.054 -2.694 1.00 0.00 C ATOM 581 C SER A 41 10.699 -1.157 -2.447 1.00 0.00 C ATOM 582 O SER A 41 10.756 -2.142 -3.182 1.00 0.00 O ATOM 583 CB SER A 41 12.975 -0.171 -2.078 1.00 0.00 C ATOM 584 OG SER A 41 13.966 -0.300 -3.081 1.00 0.00 O ATOM 0 H SER A 41 11.622 1.847 -1.600 1.00 0.00 H new ATOM 0 HA SER A 41 11.705 0.182 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.224 0.663 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.959 -1.069 -1.460 1.00 0.00 H new ATOM 0 HG SER A 41 14.840 -0.441 -2.661 1.00 0.00 H new ATOM 590 N GLN A 42 9.868 -1.071 -1.411 1.00 0.00 N ATOM 591 CA GLN A 42 8.952 -2.148 -1.061 1.00 0.00 C ATOM 592 C GLN A 42 8.056 -2.505 -2.241 1.00 0.00 C ATOM 593 O GLN A 42 7.663 -3.659 -2.435 1.00 0.00 O ATOM 594 CB GLN A 42 8.121 -1.709 0.143 1.00 0.00 C ATOM 595 CG GLN A 42 6.698 -1.271 -0.170 1.00 0.00 C ATOM 596 CD GLN A 42 5.664 -2.235 0.361 1.00 0.00 C ATOM 597 OE1 GLN A 42 5.186 -2.085 1.481 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.318 -3.235 -0.436 1.00 0.00 N ATOM 0 H GLN A 42 9.812 -0.259 -0.796 1.00 0.00 H new ATOM 0 HA GLN A 42 9.520 -3.043 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.081 -2.533 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.636 -0.885 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.523 -0.284 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.580 -1.176 -1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.741 -3.321 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.628 -3.919 -0.126 1.00 0.00 H new ATOM 607 N TYR A 43 7.737 -1.487 -3.012 1.00 0.00 N ATOM 608 CA TYR A 43 6.887 -1.629 -4.180 1.00 0.00 C ATOM 609 C TYR A 43 7.606 -1.157 -5.437 1.00 0.00 C ATOM 610 O TYR A 43 8.790 -0.828 -5.411 1.00 0.00 O ATOM 611 CB TYR A 43 5.581 -0.851 -3.986 1.00 0.00 C ATOM 612 CG TYR A 43 5.777 0.598 -3.610 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.075 1.546 -4.578 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.661 1.017 -2.293 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.254 2.874 -4.245 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.836 2.344 -1.950 1.00 0.00 C ATOM 617 CZ TYR A 43 6.132 3.270 -2.931 1.00 0.00 C ATOM 618 OH TYR A 43 6.308 4.593 -2.596 1.00 0.00 O ATOM 0 H TYR A 43 8.060 -0.534 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 43 6.650 -2.686 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.001 -0.901 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.991 -1.340 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.169 1.240 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.430 0.295 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.488 3.599 -5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.742 2.655 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 43 5.569 5.124 -2.960 1.00 0.00 H new ATOM 628 N THR A 44 6.864 -1.128 -6.527 1.00 0.00 N ATOM 629 CA THR A 44 7.374 -0.703 -7.814 1.00 0.00 C ATOM 630 C THR A 44 6.453 0.346 -8.400 1.00 0.00 C ATOM 631 O THR A 44 5.479 0.039 -9.089 1.00 0.00 O ATOM 632 CB THR A 44 7.493 -1.891 -8.767 1.00 0.00 C ATOM 633 OG1 THR A 44 8.355 -2.880 -8.233 1.00 0.00 O ATOM 634 CG2 THR A 44 8.019 -1.511 -10.135 1.00 0.00 C ATOM 0 H THR A 44 5.881 -1.401 -6.543 1.00 0.00 H new ATOM 0 HA THR A 44 8.368 -0.277 -7.676 1.00 0.00 H new ATOM 0 HB THR A 44 6.478 -2.273 -8.879 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.416 -3.633 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.079 -2.401 -10.762 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.346 -0.787 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.011 -1.071 -10.034 1.00 0.00 H new ATOM 642 N LYS A 45 6.763 1.590 -8.086 1.00 0.00 N ATOM 643 CA LYS A 45 5.980 2.726 -8.541 1.00 0.00 C ATOM 644 C LYS A 45 6.124 2.937 -10.044 1.00 0.00 C ATOM 645 O LYS A 45 6.985 2.340 -10.693 1.00 0.00 O ATOM 646 CB LYS A 45 6.408 3.997 -7.799 1.00 0.00 C ATOM 647 CG LYS A 45 7.800 3.932 -7.184 1.00 0.00 C ATOM 648 CD LYS A 45 8.259 5.299 -6.702 1.00 0.00 C ATOM 649 CE LYS A 45 8.742 6.162 -7.856 1.00 0.00 C ATOM 650 NZ LYS A 45 9.539 7.326 -7.382 1.00 0.00 N ATOM 0 H LYS A 45 7.565 1.843 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 45 4.933 2.513 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.370 4.837 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.685 4.202 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.798 3.232 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.507 3.548 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.438 5.800 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.062 5.179 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.348 5.558 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.885 6.517 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.850 7.890 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.954 7.916 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.371 6.987 -6.859 1.00 0.00 H new ATOM 664 N GLY A 46 5.267 3.794 -10.585 1.00 0.00 N ATOM 665 CA GLY A 46 5.285 4.092 -12.003 1.00 0.00 C ATOM 666 C GLY A 46 4.719 5.469 -12.294 1.00 0.00 C ATOM 667 O GLY A 46 3.631 5.594 -12.863 1.00 0.00 O ATOM 0 H GLY A 46 4.551 4.294 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.308 4.033 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.707 3.340 -12.540 1.00 0.00 H new ATOM 671 N THR A 47 5.466 6.496 -11.898 1.00 0.00 N ATOM 672 CA THR A 47 5.067 7.890 -12.099 1.00 0.00 C ATOM 673 C THR A 47 3.558 8.063 -12.134 1.00 0.00 C ATOM 674 O THR A 47 3.029 8.783 -12.983 1.00 0.00 O ATOM 675 CB THR A 47 5.676 8.435 -13.391 1.00 0.00 C ATOM 676 OG1 THR A 47 5.542 9.844 -13.449 1.00 0.00 O ATOM 677 CG2 THR A 47 5.037 7.864 -14.640 1.00 0.00 C ATOM 0 H THR A 47 6.365 6.388 -11.429 1.00 0.00 H new ATOM 0 HA THR A 47 5.444 8.453 -11.245 1.00 0.00 H new ATOM 0 HB THR A 47 6.724 8.136 -13.368 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.592 10.084 -13.425 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.515 8.292 -15.521 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.161 6.781 -14.650 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.975 8.108 -14.649 1.00 0.00 H new ATOM 685 N ASN A 48 2.875 7.408 -11.205 1.00 0.00 N ATOM 686 CA ASN A 48 1.424 7.486 -11.115 1.00 0.00 C ATOM 687 C ASN A 48 0.871 6.237 -10.483 1.00 0.00 C ATOM 688 O ASN A 48 -0.075 6.282 -9.717 1.00 0.00 O ATOM 689 CB ASN A 48 0.796 7.670 -12.502 1.00 0.00 C ATOM 690 CG ASN A 48 -0.466 6.864 -12.703 1.00 0.00 C ATOM 691 OD1 ASN A 48 -0.450 5.812 -13.341 1.00 0.00 O ATOM 692 ND2 ASN A 48 -1.568 7.352 -12.163 1.00 0.00 N ATOM 0 H ASN A 48 3.307 6.813 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 48 1.176 8.349 -10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.571 8.726 -12.653 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.524 7.387 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.451 6.853 -12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.536 8.228 -11.642 1.00 0.00 H new ATOM 699 N GLU A 49 1.460 5.126 -10.840 1.00 0.00 N ATOM 700 CA GLU A 49 1.011 3.836 -10.341 1.00 0.00 C ATOM 701 C GLU A 49 1.994 3.225 -9.356 1.00 0.00 C ATOM 702 O GLU A 49 3.159 3.604 -9.305 1.00 0.00 O ATOM 703 CB GLU A 49 0.794 2.871 -11.505 1.00 0.00 C ATOM 704 CG GLU A 49 -0.506 3.097 -12.252 1.00 0.00 C ATOM 705 CD GLU A 49 -1.391 1.868 -12.267 1.00 0.00 C ATOM 706 OE1 GLU A 49 -0.887 0.767 -11.955 1.00 0.00 O ATOM 707 OE2 GLU A 49 -2.590 2.002 -12.589 1.00 0.00 O ATOM 0 H GLU A 49 2.256 5.080 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 49 0.072 4.005 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.625 2.966 -12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.812 1.849 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.047 3.924 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.285 3.393 -13.277 1.00 0.00 H new ATOM 714 N VAL A 50 1.508 2.272 -8.579 1.00 0.00 N ATOM 715 CA VAL A 50 2.341 1.589 -7.596 1.00 0.00 C ATOM 716 C VAL A 50 2.060 0.096 -7.587 1.00 0.00 C ATOM 717 O VAL A 50 0.910 -0.329 -7.533 1.00 0.00 O ATOM 718 CB VAL A 50 2.137 2.160 -6.184 1.00 0.00 C ATOM 719 CG1 VAL A 50 0.687 2.570 -5.977 1.00 0.00 C ATOM 720 CG2 VAL A 50 2.579 1.165 -5.120 1.00 0.00 C ATOM 0 H VAL A 50 0.540 1.951 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 50 3.378 1.756 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 50 2.761 3.049 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.563 2.972 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.416 3.332 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.042 1.701 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.423 1.596 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.995 0.250 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.636 0.936 -5.253 1.00 0.00 H new ATOM 730 N THR A 51 3.123 -0.688 -7.637 1.00 0.00 N ATOM 731 CA THR A 51 2.992 -2.141 -7.637 1.00 0.00 C ATOM 732 C THR A 51 3.639 -2.758 -6.399 1.00 0.00 C ATOM 733 O THR A 51 4.846 -2.671 -6.214 1.00 0.00 O ATOM 734 CB THR A 51 3.619 -2.723 -8.907 1.00 0.00 C ATOM 735 OG1 THR A 51 2.881 -2.335 -10.052 1.00 0.00 O ATOM 736 CG2 THR A 51 3.703 -4.235 -8.907 1.00 0.00 C ATOM 0 H THR A 51 4.084 -0.348 -7.678 1.00 0.00 H new ATOM 0 HA THR A 51 1.930 -2.385 -7.616 1.00 0.00 H new ATOM 0 HB THR A 51 4.633 -2.324 -8.931 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.297 -2.715 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.158 -4.574 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.311 -4.566 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.701 -4.655 -8.818 1.00 0.00 H new ATOM 744 N LEU A 52 2.833 -3.396 -5.559 1.00 0.00 N ATOM 745 CA LEU A 52 3.340 -4.029 -4.352 1.00 0.00 C ATOM 746 C LEU A 52 4.185 -5.239 -4.698 1.00 0.00 C ATOM 747 O LEU A 52 3.851 -5.988 -5.617 1.00 0.00 O ATOM 748 CB LEU A 52 2.178 -4.471 -3.469 1.00 0.00 C ATOM 749 CG LEU A 52 1.383 -3.340 -2.837 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.759 -2.451 -3.901 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.317 -3.891 -1.903 1.00 0.00 C ATOM 0 H LEU A 52 1.826 -3.488 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 52 3.955 -3.303 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.500 -5.082 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.567 -5.109 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 52 2.071 -2.730 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.196 -1.650 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.545 -2.021 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.088 -3.044 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.241 -3.066 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.364 -4.530 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.791 -4.473 -1.113 1.00 0.00 H new ATOM 763 N LEU A 53 5.278 -5.438 -3.969 1.00 0.00 N ATOM 764 CA LEU A 53 6.139 -6.572 -4.236 1.00 0.00 C ATOM 765 C LEU A 53 5.996 -7.642 -3.156 1.00 0.00 C ATOM 766 O LEU A 53 6.600 -7.557 -2.086 1.00 0.00 O ATOM 767 CB LEU A 53 7.600 -6.125 -4.363 1.00 0.00 C ATOM 768 CG LEU A 53 7.932 -5.287 -5.605 1.00 0.00 C ATOM 769 CD1 LEU A 53 6.678 -4.675 -6.212 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.939 -4.201 -5.259 1.00 0.00 C ATOM 0 H LEU A 53 5.581 -4.837 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 53 5.828 -7.010 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.863 -5.548 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.234 -7.012 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 53 8.373 -5.951 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.948 -4.088 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.990 -5.469 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.196 -4.029 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.164 -3.616 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.521 -3.548 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.855 -4.659 -4.886 1.00 0.00 H new ATOM 782 N ALA A 54 5.193 -8.656 -3.456 1.00 0.00 N ATOM 783 CA ALA A 54 4.940 -9.765 -2.537 1.00 0.00 C ATOM 784 C ALA A 54 6.178 -10.164 -1.727 1.00 0.00 C ATOM 785 O ALA A 54 6.057 -10.804 -0.683 1.00 0.00 O ATOM 786 CB ALA A 54 4.432 -10.968 -3.316 1.00 0.00 C ATOM 0 H ALA A 54 4.697 -8.735 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 54 4.188 -9.424 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.244 -11.793 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.507 -10.705 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.180 -11.269 -4.049 1.00 0.00 H new ATOM 792 N SER A 55 7.359 -9.801 -2.208 1.00 0.00 N ATOM 793 CA SER A 55 8.601 -10.145 -1.520 1.00 0.00 C ATOM 794 C SER A 55 8.764 -9.354 -0.229 1.00 0.00 C ATOM 795 O SER A 55 9.117 -9.909 0.805 1.00 0.00 O ATOM 796 CB SER A 55 9.801 -9.905 -2.435 1.00 0.00 C ATOM 797 OG SER A 55 10.970 -10.510 -1.914 1.00 0.00 O ATOM 0 H SER A 55 7.486 -9.270 -3.069 1.00 0.00 H new ATOM 0 HA SER A 55 8.552 -11.203 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.592 -10.306 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.964 -8.834 -2.552 1.00 0.00 H new ATOM 0 HG SER A 55 11.722 -10.343 -2.519 1.00 0.00 H new ATOM 803 N TYR A 56 8.510 -8.057 -0.303 1.00 0.00 N ATOM 804 CA TYR A 56 8.632 -7.185 0.850 1.00 0.00 C ATOM 805 C TYR A 56 7.498 -7.438 1.826 1.00 0.00 C ATOM 806 O TYR A 56 7.708 -7.761 3.002 1.00 0.00 O ATOM 807 CB TYR A 56 8.601 -5.726 0.401 1.00 0.00 C ATOM 808 CG TYR A 56 8.484 -4.740 1.539 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.263 -4.518 2.166 1.00 0.00 C ATOM 810 CD2 TYR A 56 9.588 -4.025 1.984 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.148 -3.615 3.202 1.00 0.00 C ATOM 812 CE2 TYR A 56 9.482 -3.119 3.019 1.00 0.00 C ATOM 813 CZ TYR A 56 8.258 -2.918 3.626 1.00 0.00 C ATOM 814 OH TYR A 56 8.148 -2.015 4.658 1.00 0.00 O ATOM 0 H TYR A 56 8.216 -7.584 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 56 9.580 -7.394 1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.508 -5.510 -0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.761 -5.583 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.390 -5.062 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.547 -4.181 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.192 -3.455 3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.351 -2.571 3.352 1.00 0.00 H new ATOM 0 HH TYR A 56 9.023 -1.611 4.833 1.00 0.00 H new ATOM 824 N LEU A 57 6.289 -7.282 1.326 1.00 0.00 N ATOM 825 CA LEU A 57 5.114 -7.487 2.151 1.00 0.00 C ATOM 826 C LEU A 57 5.144 -8.859 2.800 1.00 0.00 C ATOM 827 O LEU A 57 4.699 -9.027 3.934 1.00 0.00 O ATOM 828 CB LEU A 57 3.828 -7.323 1.353 1.00 0.00 C ATOM 829 CG LEU A 57 2.597 -7.084 2.220 1.00 0.00 C ATOM 830 CD1 LEU A 57 1.694 -6.031 1.597 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.842 -8.379 2.445 1.00 0.00 C ATOM 0 H LEU A 57 6.094 -7.016 0.361 1.00 0.00 H new ATOM 0 HA LEU A 57 5.131 -6.723 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.943 -6.488 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.669 -8.216 0.749 1.00 0.00 H new ATOM 0 HG LEU A 57 2.929 -6.712 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.822 -5.877 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.242 -5.094 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.370 -6.366 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.967 -8.187 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.524 -8.786 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.492 -9.097 2.946 1.00 0.00 H new ATOM 843 N ASN A 58 5.674 -9.841 2.085 1.00 0.00 N ATOM 844 CA ASN A 58 5.757 -11.186 2.622 1.00 0.00 C ATOM 845 C ASN A 58 6.698 -11.209 3.820 1.00 0.00 C ATOM 846 O ASN A 58 6.583 -12.063 4.699 1.00 0.00 O ATOM 847 CB ASN A 58 6.240 -12.171 1.558 1.00 0.00 C ATOM 848 CG ASN A 58 6.461 -13.565 2.116 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.875 -13.940 3.131 1.00 0.00 O ATOM 850 ND2 ASN A 58 7.313 -14.339 1.455 1.00 0.00 N ATOM 0 H ASN A 58 6.048 -9.731 1.143 1.00 0.00 H new ATOM 0 HA ASN A 58 4.760 -11.490 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.508 -12.218 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.170 -11.805 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.504 -15.285 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.777 -13.987 0.617 1.00 0.00 H new ATOM 857 N THR A 59 7.626 -10.259 3.845 1.00 0.00 N ATOM 858 CA THR A 59 8.591 -10.158 4.929 1.00 0.00 C ATOM 859 C THR A 59 8.038 -9.316 6.068 1.00 0.00 C ATOM 860 O THR A 59 8.467 -9.450 7.215 1.00 0.00 O ATOM 861 CB THR A 59 9.902 -9.557 4.420 1.00 0.00 C ATOM 862 OG1 THR A 59 9.769 -9.129 3.075 1.00 0.00 O ATOM 863 CG2 THR A 59 11.067 -10.521 4.485 1.00 0.00 C ATOM 0 H THR A 59 7.729 -9.546 3.123 1.00 0.00 H new ATOM 0 HA THR A 59 8.785 -11.162 5.305 1.00 0.00 H new ATOM 0 HB THR A 59 10.111 -8.716 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.593 -9.904 2.501 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.966 -10.032 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.227 -10.830 5.518 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.849 -11.397 3.874 1.00 0.00 H new ATOM 871 N LEU A 60 7.083 -8.443 5.751 1.00 0.00 N ATOM 872 CA LEU A 60 6.476 -7.578 6.761 1.00 0.00 C ATOM 873 C LEU A 60 6.221 -8.348 8.057 1.00 0.00 C ATOM 874 O LEU A 60 6.083 -9.571 8.050 1.00 0.00 O ATOM 875 CB LEU A 60 5.163 -6.981 6.247 1.00 0.00 C ATOM 876 CG LEU A 60 5.292 -5.643 5.513 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.929 -4.988 5.361 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.250 -4.715 6.249 1.00 0.00 C ATOM 0 H LEU A 60 6.715 -8.316 4.808 1.00 0.00 H new ATOM 0 HA LEU A 60 7.175 -6.768 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.695 -7.701 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.488 -6.848 7.093 1.00 0.00 H new ATOM 0 HG LEU A 60 5.698 -5.835 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.038 -4.038 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.272 -5.644 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.498 -4.812 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.327 -3.770 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.875 -4.529 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.234 -5.180 6.308 1.00 0.00 H new ATOM 890 N PRO A 61 6.165 -7.633 9.193 1.00 0.00 N ATOM 891 CA PRO A 61 5.938 -8.244 10.512 1.00 0.00 C ATOM 892 C PRO A 61 4.603 -8.981 10.609 1.00 0.00 C ATOM 893 O PRO A 61 3.810 -8.986 9.667 1.00 0.00 O ATOM 894 CB PRO A 61 5.951 -7.050 11.475 1.00 0.00 C ATOM 895 CG PRO A 61 6.658 -5.963 10.737 1.00 0.00 C ATOM 896 CD PRO A 61 6.332 -6.175 9.289 1.00 0.00 C ATOM 0 HA PRO A 61 6.693 -8.999 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.938 -6.750 11.744 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.467 -7.297 12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.325 -4.981 11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.734 -6.010 10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.424 -5.646 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.131 -5.817 8.640 1.00 0.00 H new ATOM 904 N GLU A 62 4.372 -9.601 11.763 1.00 0.00 N ATOM 905 CA GLU A 62 3.145 -10.347 12.017 1.00 0.00 C ATOM 906 C GLU A 62 1.918 -9.482 11.814 1.00 0.00 C ATOM 907 O GLU A 62 1.995 -8.409 11.228 1.00 0.00 O ATOM 908 CB GLU A 62 3.179 -10.900 13.443 1.00 0.00 C ATOM 909 CG GLU A 62 4.118 -12.079 13.606 1.00 0.00 C ATOM 910 CD GLU A 62 5.503 -11.664 14.060 1.00 0.00 C ATOM 911 OE1 GLU A 62 6.273 -11.146 13.224 1.00 0.00 O ATOM 912 OE2 GLU A 62 5.822 -11.858 15.254 1.00 0.00 O ATOM 0 H GLU A 62 5.027 -9.600 12.545 1.00 0.00 H new ATOM 0 HA GLU A 62 3.084 -11.170 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.481 -10.106 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.173 -11.203 13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.697 -12.777 14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.195 -12.611 12.658 1.00 0.00 H new ATOM 919 N ASN A 63 0.784 -9.993 12.277 1.00 0.00 N ATOM 920 CA ASN A 63 -0.488 -9.322 12.145 1.00 0.00 C ATOM 921 C ASN A 63 -0.360 -7.814 12.335 1.00 0.00 C ATOM 922 O ASN A 63 -0.798 -7.263 13.346 1.00 0.00 O ATOM 923 CB ASN A 63 -1.492 -9.885 13.156 1.00 0.00 C ATOM 924 CG ASN A 63 -0.830 -10.366 14.433 1.00 0.00 C ATOM 925 OD1 ASN A 63 -1.254 -11.352 15.033 1.00 0.00 O ATOM 926 ND2 ASN A 63 0.213 -9.666 14.857 1.00 0.00 N ATOM 0 H ASN A 63 0.729 -10.891 12.757 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.846 -9.503 11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.226 -9.117 13.399 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.036 -10.712 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.697 -9.939 15.712 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.531 -8.854 14.328 1.00 0.00 H new ATOM 933 N THR A 64 0.238 -7.156 11.353 1.00 0.00 N ATOM 934 CA THR A 64 0.429 -5.709 11.401 1.00 0.00 C ATOM 935 C THR A 64 -0.427 -5.008 10.358 1.00 0.00 C ATOM 936 O THR A 64 -0.786 -5.599 9.340 1.00 0.00 O ATOM 937 CB THR A 64 1.898 -5.354 11.176 1.00 0.00 C ATOM 938 OG1 THR A 64 2.508 -6.270 10.283 1.00 0.00 O ATOM 939 CG2 THR A 64 2.712 -5.334 12.454 1.00 0.00 C ATOM 0 H THR A 64 0.601 -7.600 10.510 1.00 0.00 H new ATOM 0 HA THR A 64 0.123 -5.369 12.390 1.00 0.00 H new ATOM 0 HB THR A 64 1.891 -4.348 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.722 -7.099 10.760 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.745 -5.075 12.223 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.297 -4.594 13.138 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.680 -6.318 12.921 1.00 0.00 H new ATOM 947 N THR A 65 -0.756 -3.746 10.615 1.00 0.00 N ATOM 948 CA THR A 65 -1.571 -2.972 9.694 1.00 0.00 C ATOM 949 C THR A 65 -0.718 -2.298 8.636 1.00 0.00 C ATOM 950 O THR A 65 -0.277 -1.159 8.797 1.00 0.00 O ATOM 951 CB THR A 65 -2.387 -1.938 10.445 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.896 -0.955 9.564 1.00 0.00 O ATOM 953 CG2 THR A 65 -1.613 -1.230 11.537 1.00 0.00 C ATOM 0 H THR A 65 -0.470 -3.241 11.453 1.00 0.00 H new ATOM 0 HA THR A 65 -2.250 -3.661 9.193 1.00 0.00 H new ATOM 0 HB THR A 65 -3.196 -2.501 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.177 -0.341 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.260 -0.505 12.031 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.263 -1.960 12.267 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.758 -0.714 11.101 1.00 0.00 H new ATOM 961 N LYS A 66 -0.506 -3.017 7.554 1.00 0.00 N ATOM 962 CA LYS A 66 0.275 -2.529 6.433 1.00 0.00 C ATOM 963 C LYS A 66 -0.431 -1.348 5.771 1.00 0.00 C ATOM 964 O LYS A 66 -1.089 -1.497 4.742 1.00 0.00 O ATOM 965 CB LYS A 66 0.518 -3.683 5.448 1.00 0.00 C ATOM 966 CG LYS A 66 0.722 -3.267 4.001 1.00 0.00 C ATOM 967 CD LYS A 66 1.889 -2.315 3.851 1.00 0.00 C ATOM 968 CE LYS A 66 2.595 -2.529 2.524 1.00 0.00 C ATOM 969 NZ LYS A 66 3.648 -3.575 2.626 1.00 0.00 N ATOM 0 H LYS A 66 -0.871 -3.961 7.425 1.00 0.00 H new ATOM 0 HA LYS A 66 1.243 -2.168 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.395 -4.241 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.330 -4.366 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.894 -4.152 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.185 -2.792 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.535 -1.286 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.593 -2.464 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.867 -2.818 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.043 -1.592 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.210 -3.589 1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.270 -3.364 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.202 -4.504 2.766 1.00 0.00 H new ATOM 983 N THR A 67 -0.307 -0.174 6.384 1.00 0.00 N ATOM 984 CA THR A 67 -0.945 1.026 5.869 1.00 0.00 C ATOM 985 C THR A 67 -0.021 1.771 4.919 1.00 0.00 C ATOM 986 O THR A 67 0.811 2.560 5.348 1.00 0.00 O ATOM 987 CB THR A 67 -1.341 1.941 7.020 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.754 1.187 8.146 1.00 0.00 O ATOM 989 CG2 THR A 67 -2.458 2.899 6.670 1.00 0.00 C ATOM 0 H THR A 67 0.231 -0.032 7.239 1.00 0.00 H new ATOM 0 HA THR A 67 -1.837 0.725 5.319 1.00 0.00 H new ATOM 0 HB THR A 67 -0.446 2.522 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.002 1.795 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.689 3.520 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.146 3.534 5.840 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.345 2.334 6.382 1.00 0.00 H new ATOM 997 N LEU A 68 -0.196 1.525 3.631 1.00 0.00 N ATOM 998 CA LEU A 68 0.597 2.158 2.605 1.00 0.00 C ATOM 999 C LEU A 68 0.258 3.635 2.502 1.00 0.00 C ATOM 1000 O LEU A 68 -0.755 4.006 1.920 1.00 0.00 O ATOM 1001 CB LEU A 68 0.338 1.469 1.268 1.00 0.00 C ATOM 1002 CG LEU A 68 1.219 0.251 0.978 1.00 0.00 C ATOM 1003 CD1 LEU A 68 0.420 -1.026 1.141 1.00 0.00 C ATOM 1004 CD2 LEU A 68 1.800 0.339 -0.421 1.00 0.00 C ATOM 0 H LEU A 68 -0.897 0.877 3.272 1.00 0.00 H new ATOM 0 HA LEU A 68 1.651 2.066 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.706 1.158 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.479 2.197 0.469 1.00 0.00 H new ATOM 0 HG LEU A 68 2.042 0.239 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.059 -1.884 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.045 -1.093 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.420 -1.021 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.424 -0.534 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.990 0.372 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.404 1.242 -0.508 1.00 0.00 H new ATOM 1016 N THR A 69 1.107 4.475 3.077 1.00 0.00 N ATOM 1017 CA THR A 69 0.872 5.908 3.044 1.00 0.00 C ATOM 1018 C THR A 69 1.619 6.550 1.881 1.00 0.00 C ATOM 1019 O THR A 69 2.798 6.884 1.997 1.00 0.00 O ATOM 1020 CB THR A 69 1.305 6.545 4.368 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.519 6.056 5.441 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.199 8.055 4.373 1.00 0.00 C ATOM 0 H THR A 69 1.956 4.191 3.567 1.00 0.00 H new ATOM 0 HA THR A 69 -0.195 6.079 2.902 1.00 0.00 H new ATOM 0 HB THR A 69 2.353 6.272 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.812 6.473 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.521 8.439 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.835 8.467 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.165 8.348 4.193 1.00 0.00 H new ATOM 1030 N PHE A 70 0.927 6.719 0.759 1.00 0.00 N ATOM 1031 CA PHE A 70 1.524 7.319 -0.416 1.00 0.00 C ATOM 1032 C PHE A 70 1.648 8.830 -0.255 1.00 0.00 C ATOM 1033 O PHE A 70 0.656 9.554 -0.330 1.00 0.00 O ATOM 1034 CB PHE A 70 0.668 6.988 -1.640 1.00 0.00 C ATOM 1035 CG PHE A 70 0.563 5.515 -1.924 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.248 4.695 -1.158 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.284 4.948 -2.962 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.341 3.343 -1.425 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.198 3.599 -3.229 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.383 2.793 -2.461 1.00 0.00 C ATOM 0 H PHE A 70 -0.049 6.446 0.644 1.00 0.00 H new ATOM 0 HA PHE A 70 2.527 6.913 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.333 7.393 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.089 7.488 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.815 5.118 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.922 5.572 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.981 2.716 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.769 3.172 -4.040 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.313 1.736 -2.671 1.00 0.00 H new ATOM 1050 N ASP A 71 2.870 9.303 -0.026 1.00 0.00 N ATOM 1051 CA ASP A 71 3.110 10.729 0.147 1.00 0.00 C ATOM 1052 C ASP A 71 2.919 11.484 -1.154 1.00 0.00 C ATOM 1053 O ASP A 71 3.821 11.564 -1.986 1.00 0.00 O ATOM 1054 CB ASP A 71 4.508 10.975 0.683 1.00 0.00 C ATOM 1055 CG ASP A 71 4.820 12.452 0.838 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.867 13.260 0.872 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.015 12.802 0.923 1.00 0.00 O ATOM 0 H ASP A 71 3.705 8.721 0.044 1.00 0.00 H new ATOM 0 HA ASP A 71 2.381 11.098 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.615 10.481 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.236 10.522 0.010 1.00 0.00 H new ATOM 1062 N PHE A 72 1.734 12.040 -1.311 1.00 0.00 N ATOM 1063 CA PHE A 72 1.382 12.806 -2.497 1.00 0.00 C ATOM 1064 C PHE A 72 1.554 14.300 -2.240 1.00 0.00 C ATOM 1065 O PHE A 72 0.900 15.126 -2.873 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.057 12.510 -2.900 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.169 11.761 -4.191 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.504 10.570 -4.373 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.945 12.254 -5.224 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.411 9.883 -5.562 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.047 11.571 -6.417 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.364 10.384 -6.586 1.00 0.00 C ATOM 0 H PHE A 72 0.985 11.975 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 72 2.048 12.514 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.536 11.932 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.604 13.449 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.111 10.172 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.477 13.185 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.944 8.953 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.659 11.963 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.437 9.847 -7.521 1.00 0.00 H new ATOM 1082 N GLY A 73 2.427 14.636 -1.299 1.00 0.00 N ATOM 1083 CA GLY A 73 2.661 16.026 -0.969 1.00 0.00 C ATOM 1084 C GLY A 73 1.547 16.622 -0.131 1.00 0.00 C ATOM 1085 O GLY A 73 1.667 17.741 0.365 1.00 0.00 O ATOM 0 H GLY A 73 2.977 13.969 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.604 16.114 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.766 16.601 -1.889 1.00 0.00 H new ATOM 1089 N VAL A 74 0.461 15.871 0.028 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.673 16.325 0.811 1.00 0.00 C ATOM 1091 C VAL A 74 -1.085 15.259 1.817 1.00 0.00 C ATOM 1092 O VAL A 74 -2.260 14.915 1.927 1.00 0.00 O ATOM 1093 CB VAL A 74 -1.879 16.665 -0.078 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.614 17.937 -0.867 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.199 15.505 -1.011 1.00 0.00 C ATOM 0 H VAL A 74 0.347 14.943 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.360 17.229 1.333 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.745 16.834 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.478 18.164 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.438 18.763 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.736 17.797 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.056 15.764 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.337 15.301 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.433 14.618 -0.422 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.100 14.737 2.545 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.352 13.703 3.538 1.00 0.00 C ATOM 1107 C GLY A 75 -1.691 13.854 4.229 1.00 0.00 C ATOM 1108 O GLY A 75 -2.342 12.866 4.568 1.00 0.00 O ATOM 0 H GLY A 75 0.878 15.015 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.307 12.726 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.440 13.726 4.286 1.00 0.00 H new ATOM 1112 N THR A 76 -2.098 15.097 4.434 1.00 0.00 N ATOM 1113 CA THR A 76 -3.367 15.402 5.092 1.00 0.00 C ATOM 1114 C THR A 76 -4.473 14.448 4.644 1.00 0.00 C ATOM 1115 O THR A 76 -5.165 13.855 5.472 1.00 0.00 O ATOM 1116 CB THR A 76 -3.778 16.846 4.803 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.832 17.753 5.339 1.00 0.00 O ATOM 1118 CG2 THR A 76 -5.133 17.205 5.371 1.00 0.00 C ATOM 0 H THR A 76 -1.565 15.920 4.153 1.00 0.00 H new ATOM 0 HA THR A 76 -3.224 15.274 6.165 1.00 0.00 H new ATOM 0 HB THR A 76 -3.825 16.923 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.112 18.671 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.365 18.243 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.893 16.554 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.119 17.077 6.453 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.641 14.312 3.332 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.669 13.442 2.786 1.00 0.00 C ATOM 1128 C LYS A 77 -5.108 12.520 1.710 1.00 0.00 C ATOM 1129 O LYS A 77 -5.859 11.867 0.984 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.801 14.284 2.202 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.306 15.495 1.436 1.00 0.00 C ATOM 1132 CD LYS A 77 -5.293 15.106 0.372 1.00 0.00 C ATOM 1133 CE LYS A 77 -5.245 16.131 -0.747 1.00 0.00 C ATOM 1134 NZ LYS A 77 -5.109 15.484 -2.081 1.00 0.00 N ATOM 0 H LYS A 77 -4.078 14.794 2.631 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.049 12.821 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.403 13.663 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.454 14.614 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.151 16.001 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.853 16.205 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.306 15.012 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.550 14.129 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.152 16.735 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.407 16.809 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.636 16.138 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.544 14.616 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.052 15.246 -2.449 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.785 12.474 1.608 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.122 11.633 0.618 1.00 0.00 C ATOM 1150 C ASN A 78 -3.782 10.256 0.527 1.00 0.00 C ATOM 1151 O ASN A 78 -4.551 9.864 1.404 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.634 11.495 0.962 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.265 10.117 1.489 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.395 9.117 0.786 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.811 10.063 2.735 1.00 0.00 N ATOM 0 H ASN A 78 -3.149 13.010 2.199 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.219 12.111 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.041 11.707 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.369 12.245 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.554 9.165 3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.719 10.919 3.282 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.485 9.505 -0.538 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.045 8.178 -0.742 1.00 0.00 C ATOM 1164 C PRO A 79 -3.331 7.113 0.075 1.00 0.00 C ATOM 1165 O PRO A 79 -2.332 6.535 -0.357 1.00 0.00 O ATOM 1166 CB PRO A 79 -3.854 7.912 -2.244 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.115 9.096 -2.794 1.00 0.00 C ATOM 1168 CD PRO A 79 -2.583 9.882 -1.625 1.00 0.00 C ATOM 0 HA PRO A 79 -5.087 8.137 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.291 6.993 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.816 7.789 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.300 8.772 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.778 9.713 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.549 9.621 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.607 10.955 -1.816 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.859 6.851 1.258 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.296 5.841 2.139 1.00 0.00 C ATOM 1178 C LYS A 80 -4.048 4.533 1.941 1.00 0.00 C ATOM 1179 O LYS A 80 -5.228 4.544 1.596 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.387 6.289 3.598 1.00 0.00 C ATOM 1181 CG LYS A 80 -2.447 7.433 3.943 1.00 0.00 C ATOM 1182 CD LYS A 80 -2.822 8.083 5.263 1.00 0.00 C ATOM 1183 CE LYS A 80 -2.882 7.063 6.388 1.00 0.00 C ATOM 1184 NZ LYS A 80 -2.995 7.715 7.724 1.00 0.00 N ATOM 0 H LYS A 80 -4.680 7.326 1.632 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.243 5.698 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.411 6.594 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.165 5.440 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.424 7.061 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.473 8.179 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.094 8.856 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.789 8.576 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.735 6.402 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.987 6.441 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.033 6.985 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.169 8.327 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.862 8.289 7.758 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.379 3.406 2.149 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.026 2.120 1.977 1.00 0.00 C ATOM 1200 C LEU A 81 -3.720 1.212 3.161 1.00 0.00 C ATOM 1201 O LEU A 81 -2.576 0.857 3.395 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.593 1.486 0.645 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.002 0.079 0.730 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -4.045 -0.902 1.234 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.473 -0.351 -0.624 1.00 0.00 C ATOM 0 H LEU A 81 -2.401 3.360 2.434 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.106 2.261 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.458 1.455 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.857 2.140 0.177 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.172 0.090 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.609 -1.900 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.382 -0.598 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.894 -0.914 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.055 -1.355 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.286 -0.350 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.697 0.342 -0.948 1.00 0.00 H new ATOM 1217 N THR A 82 -4.748 0.856 3.921 1.00 0.00 N ATOM 1218 CA THR A 82 -4.553 0.015 5.090 1.00 0.00 C ATOM 1219 C THR A 82 -4.693 -1.455 4.751 1.00 0.00 C ATOM 1220 O THR A 82 -5.764 -1.922 4.365 1.00 0.00 O ATOM 1221 CB THR A 82 -5.545 0.394 6.189 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.561 -0.585 7.211 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.962 0.558 5.689 1.00 0.00 C ATOM 0 H THR A 82 -5.714 1.134 3.750 1.00 0.00 H new ATOM 0 HA THR A 82 -3.537 0.182 5.448 1.00 0.00 H new ATOM 0 HB THR A 82 -5.198 1.355 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.201 -0.323 7.905 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.613 0.827 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.993 1.345 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.304 -0.379 5.250 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.599 -2.189 4.919 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.592 -3.616 4.654 1.00 0.00 C ATOM 1233 C ILE A 83 -3.423 -4.396 5.946 1.00 0.00 C ATOM 1234 O ILE A 83 -2.821 -3.907 6.904 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.467 -4.026 3.688 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.441 -3.113 2.460 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -2.636 -5.485 3.283 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.549 -3.620 1.345 1.00 0.00 C ATOM 0 H ILE A 83 -2.705 -1.815 5.238 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.551 -3.848 4.190 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.510 -3.916 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.456 -3.001 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.103 -2.122 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.836 -5.768 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.595 -6.116 4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.599 -5.616 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.580 -2.922 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.525 -3.705 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.899 -4.598 1.015 1.00 0.00 H new ATOM 1250 N THR A 84 -3.949 -5.609 5.969 1.00 0.00 N ATOM 1251 CA THR A 84 -3.848 -6.453 7.148 1.00 0.00 C ATOM 1252 C THR A 84 -2.898 -7.616 6.894 1.00 0.00 C ATOM 1253 O THR A 84 -3.295 -8.645 6.348 1.00 0.00 O ATOM 1254 CB THR A 84 -5.227 -6.982 7.547 1.00 0.00 C ATOM 1255 OG1 THR A 84 -6.243 -6.076 7.154 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.368 -7.215 9.036 1.00 0.00 C ATOM 0 H THR A 84 -4.449 -6.031 5.187 1.00 0.00 H new ATOM 0 HA THR A 84 -3.452 -5.850 7.966 1.00 0.00 H new ATOM 0 HB THR A 84 -5.332 -7.938 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.998 -6.141 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.368 -7.590 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.628 -7.946 9.361 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.209 -6.277 9.568 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.642 -7.449 7.295 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.643 -8.494 7.109 1.00 0.00 C ATOM 1266 C VAL A 85 -0.626 -9.438 8.301 1.00 0.00 C ATOM 1267 O VAL A 85 -0.006 -9.150 9.324 1.00 0.00 O ATOM 1268 CB VAL A 85 0.774 -7.928 6.906 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.380 -8.463 5.620 1.00 0.00 C ATOM 1270 CG2 VAL A 85 0.775 -6.407 6.904 1.00 0.00 C ATOM 0 H VAL A 85 -1.293 -6.604 7.748 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.929 -9.032 6.205 1.00 0.00 H new ATOM 0 HB VAL A 85 1.385 -8.257 7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.382 -8.053 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.437 -9.550 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.757 -8.170 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.792 -6.044 6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.141 -6.044 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.392 -6.042 7.857 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.319 -10.561 8.163 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.394 -11.553 9.232 1.00 0.00 C ATOM 1282 C LEU A 86 -0.105 -12.362 9.320 1.00 0.00 C ATOM 1283 O LEU A 86 0.663 -12.429 8.364 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.585 -12.485 9.007 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.956 -11.868 9.297 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.238 -11.874 10.791 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.034 -10.454 8.743 1.00 0.00 C ATOM 0 H LEU A 86 -1.838 -10.809 7.321 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.529 -11.024 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.569 -12.826 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.460 -13.367 9.635 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.716 -12.472 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.216 -11.432 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.227 -12.900 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.473 -11.295 11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.016 -10.032 8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.264 -9.838 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.878 -10.477 7.664 1.00 0.00 H new