USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 415 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 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -150:sc= 0.889 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -166:sc= 0.755 (180deg=-0.244) USER MOD Set 2.2: A 17 TYR OH : rot 30:sc= 0.655 USER MOD Single : A 1 ALA N :NH3+ -98:sc= 0.0768 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -91:sc= 1.03 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0839 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.6!) USER MOD Single : A 42 SER OG : rot 28:sc= 0.358 USER MOD Single : A 52 SER OG : rot -160:sc= -0.608 USER MOD Single : A 53 GLN : amide:sc= 0.147 K(o=0.15,f=-3.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= 1.5 (180deg=0.624) USER MOD Single : A 66 THR OG1 : rot -77:sc= 0.143 USER MOD Single : A 67 ASN : amide:sc= 0.0756 X(o=0.076,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 76 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0064) USER MOD Single : A 79 ASN : amide:sc= 1.17 K(o=1.2,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.879 7.080 6.537 1.00 0.00 N ATOM 2 CA ALA A 1 -8.756 6.116 6.546 1.00 0.00 C ATOM 3 C ALA A 1 -9.285 4.689 6.482 1.00 0.00 C ATOM 4 O ALA A 1 -10.446 4.433 6.801 1.00 0.00 O ATOM 5 CB ALA A 1 -7.895 6.300 7.786 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.020 7.440 5.572 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.747 6.605 6.859 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.661 7.873 7.174 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.138 6.304 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.076 5.581 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.489 7.311 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.502 6.140 8.677 1.00 0.00 H new ATOM 13 N THR A 2 -8.432 3.764 6.069 1.00 0.00 N ATOM 14 CA THR A 2 -8.803 2.364 5.993 1.00 0.00 C ATOM 15 C THR A 2 -8.228 1.594 7.176 1.00 0.00 C ATOM 16 O THR A 2 -7.052 1.238 7.186 1.00 0.00 O ATOM 17 CB THR A 2 -8.292 1.739 4.678 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.959 2.778 3.745 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.342 0.821 4.070 1.00 0.00 C ATOM 0 H THR A 2 -7.474 3.962 5.781 1.00 0.00 H new ATOM 0 HA THR A 2 -9.891 2.302 6.020 1.00 0.00 H new ATOM 0 HB THR A 2 -7.404 1.148 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.633 2.378 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.958 0.393 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.575 0.020 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.246 1.392 3.858 1.00 0.00 H new ATOM 27 N THR A 3 -9.055 1.355 8.180 1.00 0.00 N ATOM 28 CA THR A 3 -8.634 0.575 9.333 1.00 0.00 C ATOM 29 C THR A 3 -8.720 -0.913 9.015 1.00 0.00 C ATOM 30 O THR A 3 -9.808 -1.449 8.794 1.00 0.00 O ATOM 31 CB THR A 3 -9.496 0.894 10.571 1.00 0.00 C ATOM 32 OG1 THR A 3 -9.811 2.294 10.596 1.00 0.00 O ATOM 33 CG2 THR A 3 -8.778 0.507 11.856 1.00 0.00 C ATOM 0 H THR A 3 -10.018 1.688 8.221 1.00 0.00 H new ATOM 0 HA THR A 3 -7.602 0.841 9.560 1.00 0.00 H new ATOM 0 HB THR A 3 -10.415 0.312 10.504 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.360 2.492 11.383 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.410 0.744 12.712 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.566 -0.562 11.846 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.843 1.062 11.931 1.00 0.00 H new ATOM 41 N ILE A 4 -7.570 -1.568 8.973 1.00 0.00 N ATOM 42 CA ILE A 4 -7.508 -2.977 8.620 1.00 0.00 C ATOM 43 C ILE A 4 -8.076 -3.837 9.744 1.00 0.00 C ATOM 44 O ILE A 4 -7.739 -3.649 10.914 1.00 0.00 O ATOM 45 CB ILE A 4 -6.060 -3.409 8.294 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.468 -2.489 7.217 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.022 -4.861 7.835 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.951 -2.438 7.212 1.00 0.00 C ATOM 0 H ILE A 4 -6.665 -1.145 9.180 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.114 -3.123 7.726 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.459 -3.324 9.199 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.813 -2.824 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.854 -1.480 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.994 -5.145 7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.411 -5.503 8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.634 -4.976 6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.612 -1.767 6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.596 -2.073 8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.554 -3.437 7.034 1.00 0.00 H new ATOM 60 N GLY A 5 -8.965 -4.753 9.389 1.00 0.00 N ATOM 61 CA GLY A 5 -9.585 -5.614 10.372 1.00 0.00 C ATOM 62 C GLY A 5 -10.060 -6.915 9.760 1.00 0.00 C ATOM 63 O GLY A 5 -9.663 -7.249 8.641 1.00 0.00 O ATOM 0 H GLY A 5 -9.269 -4.915 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.873 -5.826 11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.430 -5.097 10.827 1.00 0.00 H new ATOM 67 N PRO A 6 -10.924 -7.669 10.464 1.00 0.00 N ATOM 68 CA PRO A 6 -11.448 -8.949 9.970 1.00 0.00 C ATOM 69 C PRO A 6 -12.276 -8.774 8.700 1.00 0.00 C ATOM 70 O PRO A 6 -12.400 -9.694 7.895 1.00 0.00 O ATOM 71 CB PRO A 6 -12.326 -9.454 11.120 1.00 0.00 C ATOM 72 CG PRO A 6 -12.645 -8.242 11.928 1.00 0.00 C ATOM 73 CD PRO A 6 -11.458 -7.334 11.796 1.00 0.00 C ATOM 0 HA PRO A 6 -10.649 -9.640 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.233 -9.927 10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.802 -10.199 11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.550 -7.757 11.563 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.822 -8.504 12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.745 -6.284 11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.724 -7.514 12.581 1.00 0.00 H new ATOM 81 N ASN A 7 -12.833 -7.586 8.524 1.00 0.00 N ATOM 82 CA ASN A 7 -13.611 -7.274 7.336 1.00 0.00 C ATOM 83 C ASN A 7 -12.703 -6.702 6.256 1.00 0.00 C ATOM 84 O ASN A 7 -12.660 -5.490 6.039 1.00 0.00 O ATOM 85 CB ASN A 7 -14.726 -6.283 7.671 1.00 0.00 C ATOM 86 CG ASN A 7 -15.758 -6.870 8.615 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.582 -7.697 8.219 1.00 0.00 O ATOM 88 ND2 ASN A 7 -15.723 -6.446 9.868 1.00 0.00 N ATOM 0 H ASN A 7 -12.760 -6.819 9.192 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.067 -8.192 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.292 -5.391 8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.217 -5.968 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.394 -6.805 10.547 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.025 -5.760 10.155 1.00 0.00 H new ATOM 95 N THR A 8 -11.959 -7.577 5.604 1.00 0.00 N ATOM 96 CA THR A 8 -11.039 -7.171 4.558 1.00 0.00 C ATOM 97 C THR A 8 -11.328 -7.935 3.271 1.00 0.00 C ATOM 98 O THR A 8 -12.272 -7.617 2.545 1.00 0.00 O ATOM 99 CB THR A 8 -9.582 -7.413 4.994 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.550 -8.370 6.066 1.00 0.00 O ATOM 101 CG2 THR A 8 -8.926 -6.117 5.445 1.00 0.00 C ATOM 0 H THR A 8 -11.975 -8.581 5.783 1.00 0.00 H new ATOM 0 HA THR A 8 -11.178 -6.105 4.377 1.00 0.00 H new ATOM 0 HB THR A 8 -9.027 -7.800 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.592 -7.900 6.925 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.898 -6.316 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.930 -5.402 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.479 -5.704 6.288 1.00 0.00 H new ATOM 109 N CYS A 9 -10.530 -8.956 3.001 1.00 0.00 N ATOM 110 CA CYS A 9 -10.723 -9.789 1.830 1.00 0.00 C ATOM 111 C CYS A 9 -11.227 -11.166 2.249 1.00 0.00 C ATOM 112 O CYS A 9 -10.435 -12.065 2.537 1.00 0.00 O ATOM 113 CB CYS A 9 -9.414 -9.915 1.039 1.00 0.00 C ATOM 114 SG CYS A 9 -8.067 -8.841 1.636 1.00 0.00 S ATOM 0 H CYS A 9 -9.738 -9.227 3.583 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.468 -9.322 1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.079 -10.952 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.612 -9.682 -0.007 1.00 0.00 H new ATOM 119 N SER A 10 -12.545 -11.324 2.283 1.00 0.00 N ATOM 120 CA SER A 10 -13.164 -12.565 2.726 1.00 0.00 C ATOM 121 C SER A 10 -13.122 -13.626 1.628 1.00 0.00 C ATOM 122 O SER A 10 -14.148 -14.016 1.068 1.00 0.00 O ATOM 123 CB SER A 10 -14.608 -12.289 3.152 1.00 0.00 C ATOM 124 OG SER A 10 -14.859 -10.891 3.198 1.00 0.00 O ATOM 0 H SER A 10 -13.209 -10.601 2.006 1.00 0.00 H new ATOM 0 HA SER A 10 -12.603 -12.951 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.296 -12.764 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.794 -12.729 4.132 1.00 0.00 H new ATOM 0 HG SER A 10 -15.787 -10.734 3.470 1.00 0.00 H new ATOM 130 N ILE A 11 -11.917 -14.076 1.317 1.00 0.00 N ATOM 131 CA ILE A 11 -11.710 -15.113 0.318 1.00 0.00 C ATOM 132 C ILE A 11 -11.043 -16.323 0.966 1.00 0.00 C ATOM 133 O ILE A 11 -11.418 -16.732 2.065 1.00 0.00 O ATOM 134 CB ILE A 11 -10.837 -14.606 -0.857 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.885 -13.078 -0.957 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.288 -15.230 -2.168 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.653 -12.471 -1.588 1.00 0.00 C ATOM 0 H ILE A 11 -11.058 -13.735 1.748 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.684 -15.394 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.807 -14.906 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.760 -12.788 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.014 -12.661 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.662 -14.861 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.198 -16.314 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.327 -14.962 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.760 -11.387 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.776 -12.730 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.534 -12.858 -2.600 1.00 0.00 H new ATOM 149 N ASP A 12 -10.046 -16.881 0.297 1.00 0.00 N ATOM 150 CA ASP A 12 -9.268 -17.982 0.855 1.00 0.00 C ATOM 151 C ASP A 12 -8.229 -17.439 1.838 1.00 0.00 C ATOM 152 O ASP A 12 -8.318 -16.284 2.263 1.00 0.00 O ATOM 153 CB ASP A 12 -8.577 -18.758 -0.271 1.00 0.00 C ATOM 154 CG ASP A 12 -8.249 -20.182 0.120 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.168 -21.026 0.131 1.00 0.00 O ATOM 156 OD2 ASP A 12 -7.065 -20.460 0.424 1.00 0.00 O ATOM 0 H ASP A 12 -9.754 -16.590 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.937 -18.658 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.221 -18.766 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.659 -18.242 -0.553 1.00 0.00 H new ATOM 161 N ASP A 13 -7.252 -18.265 2.202 1.00 0.00 N ATOM 162 CA ASP A 13 -6.154 -17.816 3.049 1.00 0.00 C ATOM 163 C ASP A 13 -5.353 -16.753 2.318 1.00 0.00 C ATOM 164 O ASP A 13 -4.642 -17.048 1.356 1.00 0.00 O ATOM 165 CB ASP A 13 -5.237 -18.980 3.436 1.00 0.00 C ATOM 166 CG ASP A 13 -3.875 -18.515 3.921 1.00 0.00 C ATOM 167 OD1 ASP A 13 -3.782 -17.995 5.055 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.887 -18.669 3.173 1.00 0.00 O ATOM 0 H ASP A 13 -7.199 -19.245 1.924 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.575 -17.400 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.715 -19.570 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.107 -19.637 2.576 1.00 0.00 H new ATOM 173 N TYR A 14 -5.505 -15.520 2.753 1.00 0.00 N ATOM 174 CA TYR A 14 -4.815 -14.408 2.138 1.00 0.00 C ATOM 175 C TYR A 14 -4.265 -13.489 3.211 1.00 0.00 C ATOM 176 O TYR A 14 -4.856 -13.348 4.282 1.00 0.00 O ATOM 177 CB TYR A 14 -5.762 -13.646 1.209 1.00 0.00 C ATOM 178 CG TYR A 14 -5.808 -14.212 -0.194 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.722 -14.084 -1.047 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.931 -14.883 -0.663 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.748 -14.606 -2.326 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.967 -15.411 -1.940 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.871 -15.269 -2.767 1.00 0.00 C ATOM 184 OH TYR A 14 -5.901 -15.794 -4.037 1.00 0.00 O ATOM 0 H TYR A 14 -6.105 -15.262 3.536 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.985 -14.788 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.766 -13.662 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.452 -12.602 1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.838 -13.566 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.791 -14.994 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.893 -14.495 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.847 -15.931 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.765 -16.230 -4.190 1.00 0.00 H new ATOM 194 N LYS A 15 -3.120 -12.898 2.938 1.00 0.00 N ATOM 195 CA LYS A 15 -2.502 -11.984 3.875 1.00 0.00 C ATOM 196 C LYS A 15 -2.740 -10.550 3.429 1.00 0.00 C ATOM 197 O LYS A 15 -2.441 -10.191 2.290 1.00 0.00 O ATOM 198 CB LYS A 15 -1.005 -12.270 3.993 1.00 0.00 C ATOM 199 CG LYS A 15 -0.686 -13.733 4.274 1.00 0.00 C ATOM 200 CD LYS A 15 0.786 -14.041 4.065 1.00 0.00 C ATOM 201 CE LYS A 15 1.069 -14.492 2.641 1.00 0.00 C ATOM 202 NZ LYS A 15 2.442 -14.117 2.213 1.00 0.00 N ATOM 0 H LYS A 15 -2.598 -13.035 2.073 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.952 -12.126 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.512 -11.970 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.588 -11.656 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.966 -13.975 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.286 -14.367 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.379 -13.155 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.098 -14.819 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.947 -15.573 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.341 -14.044 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.524 -14.220 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.631 -13.129 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.133 -14.739 2.680 1.00 0.00 H new ATOM 216 N PRO A 16 -3.314 -9.726 4.310 1.00 0.00 N ATOM 217 CA PRO A 16 -3.610 -8.329 4.013 1.00 0.00 C ATOM 218 C PRO A 16 -2.357 -7.462 4.041 1.00 0.00 C ATOM 219 O PRO A 16 -1.664 -7.378 5.058 1.00 0.00 O ATOM 220 CB PRO A 16 -4.577 -7.908 5.133 1.00 0.00 C ATOM 221 CG PRO A 16 -4.878 -9.153 5.907 1.00 0.00 C ATOM 222 CD PRO A 16 -3.730 -10.086 5.665 1.00 0.00 C ATOM 0 HA PRO A 16 -4.027 -8.208 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.126 -7.150 5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.488 -7.475 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.984 -8.934 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.817 -9.598 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.928 -9.940 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.034 -11.131 5.733 1.00 0.00 H new ATOM 230 N TYR A 17 -2.058 -6.831 2.919 1.00 0.00 N ATOM 231 CA TYR A 17 -0.899 -5.964 2.819 1.00 0.00 C ATOM 232 C TYR A 17 -1.332 -4.542 2.506 1.00 0.00 C ATOM 233 O TYR A 17 -2.149 -4.314 1.613 1.00 0.00 O ATOM 234 CB TYR A 17 0.049 -6.480 1.736 1.00 0.00 C ATOM 235 CG TYR A 17 0.715 -7.789 2.096 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.763 -7.826 3.004 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.292 -8.985 1.535 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.372 -9.017 3.344 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.896 -10.183 1.868 1.00 0.00 C ATOM 240 CZ TYR A 17 1.937 -10.195 2.775 1.00 0.00 C ATOM 241 OH TYR A 17 2.547 -11.385 3.110 1.00 0.00 O ATOM 0 H TYR A 17 -2.605 -6.904 2.061 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.375 -5.965 3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.507 -6.607 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.817 -5.730 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.109 -6.907 3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.523 -8.980 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.186 -9.026 4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.555 -11.105 1.421 1.00 0.00 H new ATOM 0 HH TYR A 17 2.887 -11.332 4.028 1.00 0.00 H new ATOM 251 N CYS A 18 -0.799 -3.584 3.250 1.00 0.00 N ATOM 252 CA CYS A 18 -1.184 -2.193 3.073 1.00 0.00 C ATOM 253 C CYS A 18 -0.069 -1.400 2.404 1.00 0.00 C ATOM 254 O CYS A 18 1.004 -1.208 2.980 1.00 0.00 O ATOM 255 CB CYS A 18 -1.548 -1.556 4.416 1.00 0.00 C ATOM 256 SG CYS A 18 -1.899 0.233 4.313 1.00 0.00 S ATOM 0 H CYS A 18 -0.103 -3.744 3.978 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.061 -2.170 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.421 -2.065 4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.729 -1.716 5.117 1.00 0.00 H new ATOM 261 N CYS A 19 -0.329 -0.943 1.188 1.00 0.00 N ATOM 262 CA CYS A 19 0.620 -0.129 0.447 1.00 0.00 C ATOM 263 C CYS A 19 -0.137 0.844 -0.437 1.00 0.00 C ATOM 264 O CYS A 19 -1.250 0.556 -0.869 1.00 0.00 O ATOM 265 CB CYS A 19 1.531 -0.996 -0.426 1.00 0.00 C ATOM 266 SG CYS A 19 2.613 -2.133 0.494 1.00 0.00 S ATOM 0 H CYS A 19 -1.200 -1.126 0.690 1.00 0.00 H new ATOM 0 HA CYS A 19 1.240 0.411 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.911 -1.579 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.152 -0.343 -1.040 1.00 0.00 H new ATOM 271 N GLN A 20 0.455 1.990 -0.712 1.00 0.00 N ATOM 272 CA GLN A 20 -0.187 2.973 -1.568 1.00 0.00 C ATOM 273 C GLN A 20 0.002 2.584 -3.023 1.00 0.00 C ATOM 274 O GLN A 20 1.087 2.713 -3.592 1.00 0.00 O ATOM 275 CB GLN A 20 0.371 4.371 -1.311 1.00 0.00 C ATOM 276 CG GLN A 20 1.722 4.347 -0.633 1.00 0.00 C ATOM 277 CD GLN A 20 1.622 4.500 0.874 1.00 0.00 C ATOM 278 OE1 GLN A 20 0.726 5.174 1.381 1.00 0.00 O ATOM 279 NE2 GLN A 20 2.537 3.878 1.598 1.00 0.00 N ATOM 0 H GLN A 20 1.372 2.264 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.252 2.993 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.454 4.904 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.331 4.929 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.225 3.409 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.341 5.149 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.264 3.329 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.516 3.947 2.615 1.00 0.00 H new ATOM 288 N SER A 21 -1.065 2.084 -3.605 1.00 0.00 N ATOM 289 CA SER A 21 -1.059 1.642 -4.990 1.00 0.00 C ATOM 290 C SER A 21 -2.163 2.334 -5.783 1.00 0.00 C ATOM 291 O SER A 21 -2.137 2.369 -7.012 1.00 0.00 O ATOM 292 CB SER A 21 -1.234 0.122 -5.052 1.00 0.00 C ATOM 293 OG SER A 21 -1.034 -0.468 -3.774 1.00 0.00 O ATOM 0 H SER A 21 -1.963 1.970 -3.135 1.00 0.00 H new ATOM 0 HA SER A 21 -0.101 1.909 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.234 -0.118 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.526 -0.300 -5.766 1.00 0.00 H new ATOM 0 HG SER A 21 -1.153 -1.439 -3.840 1.00 0.00 H new ATOM 569 N SER A 42 8.434 -7.403 -7.575 1.00 0.00 N ATOM 570 CA SER A 42 7.475 -8.176 -6.810 1.00 0.00 C ATOM 571 C SER A 42 6.751 -7.263 -5.820 1.00 0.00 C ATOM 572 O SER A 42 6.770 -6.038 -5.967 1.00 0.00 O ATOM 573 CB SER A 42 8.182 -9.320 -6.082 1.00 0.00 C ATOM 574 OG SER A 42 9.150 -9.932 -6.922 1.00 0.00 O ATOM 0 HA SER A 42 6.738 -8.609 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.664 -8.941 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.450 -10.062 -5.763 1.00 0.00 H new ATOM 0 HG SER A 42 9.479 -9.278 -7.573 1.00 0.00 H new ATOM 580 N LEU A 43 6.122 -7.846 -4.814 1.00 0.00 N ATOM 581 CA LEU A 43 5.329 -7.070 -3.878 1.00 0.00 C ATOM 582 C LEU A 43 6.142 -6.694 -2.647 1.00 0.00 C ATOM 583 O LEU A 43 6.468 -7.543 -1.817 1.00 0.00 O ATOM 584 CB LEU A 43 4.079 -7.847 -3.470 1.00 0.00 C ATOM 585 CG LEU A 43 2.771 -7.340 -4.081 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.308 -6.074 -3.381 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.943 -7.095 -5.573 1.00 0.00 C ATOM 0 H LEU A 43 6.145 -8.848 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 43 5.026 -6.149 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.212 -8.892 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.990 -7.817 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 43 2.007 -8.105 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.377 -5.730 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.146 -6.282 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.069 -5.301 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.004 -6.735 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.722 -6.349 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.227 -8.026 -6.064 1.00 0.00 H new ATOM 599 N GLY A 44 6.480 -5.421 -2.547 1.00 0.00 N ATOM 600 CA GLY A 44 7.165 -4.921 -1.376 1.00 0.00 C ATOM 601 C GLY A 44 6.192 -4.308 -0.391 1.00 0.00 C ATOM 602 O GLY A 44 6.071 -3.086 -0.303 1.00 0.00 O ATOM 0 H GLY A 44 6.291 -4.719 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.709 -5.734 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.903 -4.176 -1.674 1.00 0.00 H new ATOM 606 N CYS A 45 5.491 -5.156 0.344 1.00 0.00 N ATOM 607 CA CYS A 45 4.437 -4.699 1.237 1.00 0.00 C ATOM 608 C CYS A 45 4.621 -5.263 2.635 1.00 0.00 C ATOM 609 O CYS A 45 5.349 -6.232 2.831 1.00 0.00 O ATOM 610 CB CYS A 45 3.074 -5.111 0.689 1.00 0.00 C ATOM 611 SG CYS A 45 2.345 -3.903 -0.457 1.00 0.00 S ATOM 0 H CYS A 45 5.633 -6.166 0.340 1.00 0.00 H new ATOM 0 HA CYS A 45 4.491 -3.612 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.173 -6.068 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.389 -5.265 1.523 1.00 0.00 H new ATOM 616 N VAL A 46 3.947 -4.662 3.602 1.00 0.00 N ATOM 617 CA VAL A 46 4.015 -5.129 4.972 1.00 0.00 C ATOM 618 C VAL A 46 2.633 -5.565 5.444 1.00 0.00 C ATOM 619 O VAL A 46 1.612 -5.114 4.911 1.00 0.00 O ATOM 620 CB VAL A 46 4.605 -4.046 5.909 1.00 0.00 C ATOM 621 CG1 VAL A 46 3.521 -3.290 6.672 1.00 0.00 C ATOM 622 CG2 VAL A 46 5.610 -4.666 6.865 1.00 0.00 C ATOM 0 H VAL A 46 3.347 -3.849 3.461 1.00 0.00 H new ATOM 0 HA VAL A 46 4.684 -5.988 5.008 1.00 0.00 H new ATOM 0 HB VAL A 46 5.118 -3.316 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.984 -2.542 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.854 -2.798 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.950 -3.990 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.016 -3.893 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.116 -5.427 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.420 -5.123 6.296 1.00 0.00 H new ATOM 632 N VAL A 47 2.612 -6.454 6.426 1.00 0.00 N ATOM 633 CA VAL A 47 1.370 -7.044 6.906 1.00 0.00 C ATOM 634 C VAL A 47 0.511 -6.019 7.627 1.00 0.00 C ATOM 635 O VAL A 47 0.979 -5.320 8.527 1.00 0.00 O ATOM 636 CB VAL A 47 1.623 -8.239 7.851 1.00 0.00 C ATOM 637 CG1 VAL A 47 1.560 -9.548 7.082 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.962 -8.100 8.566 1.00 0.00 C ATOM 0 H VAL A 47 3.447 -6.785 6.909 1.00 0.00 H new ATOM 0 HA VAL A 47 0.843 -7.402 6.022 1.00 0.00 H new ATOM 0 HB VAL A 47 0.838 -8.243 8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.741 -10.379 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.574 -9.657 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.320 -9.548 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.113 -8.955 9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.765 -8.062 7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.966 -7.183 9.155 1.00 0.00 H new ATOM 648 N GLY A 48 -0.741 -5.925 7.217 1.00 0.00 N ATOM 649 CA GLY A 48 -1.667 -5.025 7.859 1.00 0.00 C ATOM 650 C GLY A 48 -2.319 -5.667 9.064 1.00 0.00 C ATOM 651 O GLY A 48 -3.215 -6.495 8.921 1.00 0.00 O ATOM 0 H GLY A 48 -1.134 -6.462 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.143 -4.120 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.435 -4.722 7.147 1.00 0.00 H new ATOM 655 N VAL A 49 -1.857 -5.295 10.249 1.00 0.00 N ATOM 656 CA VAL A 49 -2.370 -5.870 11.483 1.00 0.00 C ATOM 657 C VAL A 49 -3.782 -5.372 11.772 1.00 0.00 C ATOM 658 O VAL A 49 -4.096 -4.196 11.571 1.00 0.00 O ATOM 659 CB VAL A 49 -1.455 -5.555 12.685 1.00 0.00 C ATOM 660 CG1 VAL A 49 -0.332 -6.570 12.772 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.895 -4.143 12.590 1.00 0.00 C ATOM 0 H VAL A 49 -1.126 -4.596 10.382 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.393 -6.951 11.343 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.053 -5.618 13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.305 -6.335 13.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.752 -7.568 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.259 -6.538 11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.254 -3.947 13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.314 -4.043 11.673 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.716 -3.426 12.579 1.00 0.00 H new ATOM 671 N ILE A 50 -4.629 -6.280 12.233 1.00 0.00 N ATOM 672 CA ILE A 50 -6.018 -5.960 12.518 1.00 0.00 C ATOM 673 C ILE A 50 -6.124 -5.013 13.708 1.00 0.00 C ATOM 674 O ILE A 50 -5.630 -5.304 14.799 1.00 0.00 O ATOM 675 CB ILE A 50 -6.841 -7.247 12.777 1.00 0.00 C ATOM 676 CG1 ILE A 50 -7.136 -7.964 11.456 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.140 -6.933 13.504 1.00 0.00 C ATOM 678 CD1 ILE A 50 -6.239 -9.154 11.196 1.00 0.00 C ATOM 0 H ILE A 50 -4.375 -7.250 12.418 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.431 -5.460 11.642 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.247 -7.903 13.413 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.174 -8.296 11.457 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.030 -7.254 10.636 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.695 -7.856 13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.916 -6.465 14.463 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.740 -6.253 12.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.507 -9.610 10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.200 -8.826 11.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.363 -9.884 11.996 1.00 0.00 H new ATOM 690 N GLY A 51 -6.750 -3.868 13.479 1.00 0.00 N ATOM 691 CA GLY A 51 -6.941 -2.899 14.535 1.00 0.00 C ATOM 692 C GLY A 51 -6.183 -1.614 14.276 1.00 0.00 C ATOM 693 O GLY A 51 -6.402 -0.610 14.952 1.00 0.00 O ATOM 0 H GLY A 51 -7.131 -3.593 12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.004 -2.678 14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.614 -3.327 15.482 1.00 0.00 H new ATOM 697 N SER A 52 -5.284 -1.646 13.307 1.00 0.00 N ATOM 698 CA SER A 52 -4.495 -0.476 12.971 1.00 0.00 C ATOM 699 C SER A 52 -5.038 0.199 11.715 1.00 0.00 C ATOM 700 O SER A 52 -5.479 -0.469 10.776 1.00 0.00 O ATOM 701 CB SER A 52 -3.031 -0.875 12.789 1.00 0.00 C ATOM 702 OG SER A 52 -2.606 -1.717 13.855 1.00 0.00 O ATOM 0 H SER A 52 -5.083 -2.470 12.740 1.00 0.00 H new ATOM 0 HA SER A 52 -4.562 0.243 13.788 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.905 -1.392 11.838 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.407 0.018 12.752 1.00 0.00 H new ATOM 0 HG SER A 52 -1.628 -1.707 13.909 1.00 0.00 H new ATOM 708 N GLN A 53 -5.023 1.524 11.713 1.00 0.00 N ATOM 709 CA GLN A 53 -5.535 2.288 10.588 1.00 0.00 C ATOM 710 C GLN A 53 -4.454 2.471 9.534 1.00 0.00 C ATOM 711 O GLN A 53 -3.273 2.605 9.854 1.00 0.00 O ATOM 712 CB GLN A 53 -6.050 3.657 11.045 1.00 0.00 C ATOM 713 CG GLN A 53 -6.784 3.625 12.378 1.00 0.00 C ATOM 714 CD GLN A 53 -5.980 4.258 13.495 1.00 0.00 C ATOM 715 OE1 GLN A 53 -4.858 3.840 13.779 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.548 5.266 14.141 1.00 0.00 N ATOM 0 H GLN A 53 -4.661 2.092 12.479 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.365 1.731 10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.208 4.344 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.719 4.056 10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.736 4.147 12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.013 2.592 12.639 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.480 5.582 13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.053 5.726 14.905 1.00 0.00 H new ATOM 725 N CYS A 54 -4.865 2.463 8.283 1.00 0.00 N ATOM 726 CA CYS A 54 -3.957 2.678 7.172 1.00 0.00 C ATOM 727 C CYS A 54 -4.506 3.769 6.261 1.00 0.00 C ATOM 728 O CYS A 54 -5.719 3.879 6.081 1.00 0.00 O ATOM 729 CB CYS A 54 -3.775 1.379 6.383 1.00 0.00 C ATOM 730 SG CYS A 54 -2.045 0.822 6.247 1.00 0.00 S ATOM 0 H CYS A 54 -5.835 2.308 8.007 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.988 2.992 7.560 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.361 0.593 6.859 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.180 1.516 5.381 1.00 0.00 H new ATOM 735 N GLY A 55 -3.625 4.583 5.705 1.00 0.00 N ATOM 736 CA GLY A 55 -4.057 5.627 4.797 1.00 0.00 C ATOM 737 C GLY A 55 -3.754 5.277 3.355 1.00 0.00 C ATOM 738 O GLY A 55 -3.728 6.145 2.482 1.00 0.00 O ATOM 0 H GLY A 55 -2.618 4.541 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.128 5.791 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.561 6.563 5.056 1.00 0.00 H new ATOM 742 N ALA A 56 -3.524 3.998 3.107 1.00 0.00 N ATOM 743 CA ALA A 56 -3.159 3.526 1.784 1.00 0.00 C ATOM 744 C ALA A 56 -4.119 2.440 1.309 1.00 0.00 C ATOM 745 O ALA A 56 -5.165 2.210 1.922 1.00 0.00 O ATOM 746 CB ALA A 56 -1.735 3.001 1.798 1.00 0.00 C ATOM 0 H ALA A 56 -3.585 3.264 3.812 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.224 4.362 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.467 2.648 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.056 3.800 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.658 2.177 2.507 1.00 0.00 H new ATOM 752 N SER A 57 -3.754 1.775 0.222 1.00 0.00 N ATOM 753 CA SER A 57 -4.571 0.718 -0.345 1.00 0.00 C ATOM 754 C SER A 57 -4.249 -0.616 0.323 1.00 0.00 C ATOM 755 O SER A 57 -3.114 -0.857 0.738 1.00 0.00 O ATOM 756 CB SER A 57 -4.317 0.638 -1.851 1.00 0.00 C ATOM 757 OG SER A 57 -3.621 1.795 -2.312 1.00 0.00 O ATOM 0 H SER A 57 -2.888 1.953 -0.287 1.00 0.00 H new ATOM 0 HA SER A 57 -5.624 0.940 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.736 -0.256 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.266 0.545 -2.379 1.00 0.00 H new ATOM 0 HG SER A 57 -3.870 1.978 -3.242 1.00 0.00 H new ATOM 763 N VAL A 58 -5.245 -1.481 0.441 1.00 0.00 N ATOM 764 CA VAL A 58 -5.050 -2.776 1.072 1.00 0.00 C ATOM 765 C VAL A 58 -5.419 -3.889 0.103 1.00 0.00 C ATOM 766 O VAL A 58 -6.537 -3.930 -0.409 1.00 0.00 O ATOM 767 CB VAL A 58 -5.885 -2.927 2.364 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.444 -4.158 3.146 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.785 -1.674 3.227 1.00 0.00 C ATOM 0 H VAL A 58 -6.194 -1.310 0.109 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.996 -2.847 1.342 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.929 -3.057 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.043 -4.247 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.581 -5.048 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.392 -4.061 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.381 -1.806 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.744 -1.503 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.158 -0.816 2.668 1.00 0.00 H new ATOM 779 N LYS A 59 -4.473 -4.772 -0.160 1.00 0.00 N ATOM 780 CA LYS A 59 -4.710 -5.902 -1.041 1.00 0.00 C ATOM 781 C LYS A 59 -4.283 -7.191 -0.352 1.00 0.00 C ATOM 782 O LYS A 59 -3.459 -7.169 0.564 1.00 0.00 O ATOM 783 CB LYS A 59 -3.975 -5.713 -2.376 1.00 0.00 C ATOM 784 CG LYS A 59 -2.558 -6.260 -2.407 1.00 0.00 C ATOM 785 CD LYS A 59 -1.972 -6.204 -3.810 1.00 0.00 C ATOM 786 CE LYS A 59 -2.853 -6.932 -4.816 1.00 0.00 C ATOM 787 NZ LYS A 59 -2.517 -6.572 -6.220 1.00 0.00 N ATOM 0 H LYS A 59 -3.530 -4.728 0.225 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.776 -5.965 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.553 -6.196 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.944 -4.649 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.930 -5.686 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.556 -7.290 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.854 -5.164 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.977 -6.650 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.742 -8.008 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.898 -6.693 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.141 -7.091 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.647 -5.549 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.527 -6.824 -6.416 1.00 0.00 H new ATOM 801 N CYS A 60 -4.847 -8.305 -0.782 1.00 0.00 N ATOM 802 CA CYS A 60 -4.566 -9.586 -0.159 1.00 0.00 C ATOM 803 C CYS A 60 -3.665 -10.431 -1.051 1.00 0.00 C ATOM 804 O CYS A 60 -3.933 -10.598 -2.243 1.00 0.00 O ATOM 805 CB CYS A 60 -5.872 -10.328 0.131 1.00 0.00 C ATOM 806 SG CYS A 60 -6.490 -10.107 1.835 1.00 0.00 S ATOM 0 H CYS A 60 -5.503 -8.349 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.046 -9.407 0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.635 -9.986 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.723 -11.392 -0.055 1.00 0.00 H new ATOM 811 N CYS A 61 -2.591 -10.955 -0.478 1.00 0.00 N ATOM 812 CA CYS A 61 -1.650 -11.769 -1.231 1.00 0.00 C ATOM 813 C CYS A 61 -1.405 -13.106 -0.536 1.00 0.00 C ATOM 814 O CYS A 61 -1.337 -13.183 0.691 1.00 0.00 O ATOM 815 CB CYS A 61 -0.327 -11.021 -1.421 1.00 0.00 C ATOM 816 SG CYS A 61 -0.397 -9.694 -2.671 1.00 0.00 S ATOM 0 H CYS A 61 -2.350 -10.831 0.505 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.085 -11.968 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.024 -10.591 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.445 -11.736 -1.708 1.00 0.00 H new ATOM 821 N LYS A 62 -1.302 -14.156 -1.336 1.00 0.00 N ATOM 822 CA LYS A 62 -1.028 -15.493 -0.843 1.00 0.00 C ATOM 823 C LYS A 62 0.224 -16.040 -1.513 1.00 0.00 C ATOM 824 O LYS A 62 0.332 -16.033 -2.743 1.00 0.00 O ATOM 825 CB LYS A 62 -2.218 -16.411 -1.123 1.00 0.00 C ATOM 826 CG LYS A 62 -2.061 -17.821 -0.579 1.00 0.00 C ATOM 827 CD LYS A 62 -2.759 -18.839 -1.463 1.00 0.00 C ATOM 828 CE LYS A 62 -4.250 -18.911 -1.169 1.00 0.00 C ATOM 829 NZ LYS A 62 -4.526 -19.573 0.134 1.00 0.00 N ATOM 0 H LYS A 62 -1.407 -14.102 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.866 -15.450 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.115 -15.966 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.375 -16.465 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.002 -18.068 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.472 -17.871 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.607 -18.577 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.310 -19.821 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.668 -17.904 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.752 -19.457 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.423 -20.096 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.754 -20.233 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.594 -18.853 0.882 1.00 0.00 H new ATOM 843 N ASP A 63 1.159 -16.500 -0.695 1.00 0.00 N ATOM 844 CA ASP A 63 2.447 -17.006 -1.168 1.00 0.00 C ATOM 845 C ASP A 63 3.329 -17.348 0.022 1.00 0.00 C ATOM 846 O ASP A 63 3.003 -17.002 1.161 1.00 0.00 O ATOM 847 CB ASP A 63 3.162 -15.971 -2.051 1.00 0.00 C ATOM 848 CG ASP A 63 3.828 -14.867 -1.248 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.173 -14.306 -0.336 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.002 -14.549 -1.535 1.00 0.00 O ATOM 0 H ASP A 63 1.049 -16.535 0.319 1.00 0.00 H new ATOM 0 HA ASP A 63 2.262 -17.899 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.914 -16.476 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.442 -15.529 -2.739 1.00 0.00 H new ATOM 855 N ASP A 64 4.438 -18.024 -0.236 1.00 0.00 N ATOM 856 CA ASP A 64 5.398 -18.312 0.813 1.00 0.00 C ATOM 857 C ASP A 64 6.443 -17.216 0.862 1.00 0.00 C ATOM 858 O ASP A 64 7.367 -17.188 0.049 1.00 0.00 O ATOM 859 CB ASP A 64 6.085 -19.664 0.605 1.00 0.00 C ATOM 860 CG ASP A 64 7.127 -19.946 1.677 1.00 0.00 C ATOM 861 OD1 ASP A 64 6.752 -20.458 2.756 1.00 0.00 O ATOM 862 OD2 ASP A 64 8.324 -19.649 1.451 1.00 0.00 O ATOM 0 H ASP A 64 4.693 -18.381 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 64 4.854 -18.356 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.336 -20.456 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.560 -19.682 -0.376 1.00 0.00 H new ATOM 867 N VAL A 65 6.280 -16.298 1.793 1.00 0.00 N ATOM 868 CA VAL A 65 7.243 -15.231 1.963 1.00 0.00 C ATOM 869 C VAL A 65 8.408 -15.711 2.793 1.00 0.00 C ATOM 870 O VAL A 65 8.247 -16.100 3.951 1.00 0.00 O ATOM 871 CB VAL A 65 6.646 -13.998 2.652 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.719 -12.950 2.895 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.501 -13.414 1.841 1.00 0.00 C ATOM 0 H VAL A 65 5.493 -16.270 2.441 1.00 0.00 H new ATOM 0 HA VAL A 65 7.564 -14.946 0.961 1.00 0.00 H new ATOM 0 HB VAL A 65 6.246 -14.314 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.276 -12.083 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.498 -13.368 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.153 -12.646 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.099 -12.541 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.865 -13.119 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.716 -14.162 1.728 1.00 0.00 H new ATOM 883 N THR A 66 9.572 -15.685 2.204 1.00 0.00 N ATOM 884 CA THR A 66 10.778 -16.025 2.912 1.00 0.00 C ATOM 885 C THR A 66 11.650 -14.789 3.043 1.00 0.00 C ATOM 886 O THR A 66 11.961 -14.128 2.052 1.00 0.00 O ATOM 887 CB THR A 66 11.531 -17.162 2.210 1.00 0.00 C ATOM 888 OG1 THR A 66 10.726 -17.692 1.145 1.00 0.00 O ATOM 889 CG2 THR A 66 11.845 -18.265 3.204 1.00 0.00 C ATOM 0 H THR A 66 9.712 -15.430 1.227 1.00 0.00 H new ATOM 0 HA THR A 66 10.516 -16.382 3.908 1.00 0.00 H new ATOM 0 HB THR A 66 12.462 -16.771 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.029 -18.271 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.380 -19.069 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.465 -17.866 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.916 -18.654 3.622 1.00 0.00 H new ATOM 897 N ASN A 67 12.031 -14.478 4.269 1.00 0.00 N ATOM 898 CA ASN A 67 12.695 -13.221 4.564 1.00 0.00 C ATOM 899 C ASN A 67 14.159 -13.266 4.151 1.00 0.00 C ATOM 900 O ASN A 67 14.985 -13.919 4.790 1.00 0.00 O ATOM 901 CB ASN A 67 12.565 -12.899 6.052 1.00 0.00 C ATOM 902 CG ASN A 67 11.498 -11.856 6.322 1.00 0.00 C ATOM 903 OD1 ASN A 67 10.301 -12.139 6.234 1.00 0.00 O ATOM 904 ND2 ASN A 67 11.921 -10.647 6.654 1.00 0.00 N ATOM 0 H ASN A 67 11.891 -15.081 5.079 1.00 0.00 H new ATOM 0 HA ASN A 67 12.211 -12.432 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.326 -13.811 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.523 -12.542 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.247 -9.906 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.921 -10.456 6.715 1.00 0.00 H new ATOM 911 N THR A 68 14.466 -12.564 3.071 1.00 0.00 N ATOM 912 CA THR A 68 15.800 -12.560 2.496 1.00 0.00 C ATOM 913 C THR A 68 16.687 -11.493 3.140 1.00 0.00 C ATOM 914 O THR A 68 17.191 -10.597 2.459 1.00 0.00 O ATOM 915 CB THR A 68 15.711 -12.309 0.980 1.00 0.00 C ATOM 916 OG1 THR A 68 14.641 -11.391 0.705 1.00 0.00 O ATOM 917 CG2 THR A 68 15.461 -13.610 0.238 1.00 0.00 C ATOM 0 H THR A 68 13.796 -11.981 2.569 1.00 0.00 H new ATOM 0 HA THR A 68 16.250 -13.534 2.687 1.00 0.00 H new ATOM 0 HB THR A 68 16.657 -11.886 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.587 -11.231 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.401 -13.413 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.279 -14.304 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.523 -14.049 0.579 1.00 0.00 H new ATOM 925 N GLY A 69 16.872 -11.597 4.454 1.00 0.00 N ATOM 926 CA GLY A 69 17.684 -10.629 5.169 1.00 0.00 C ATOM 927 C GLY A 69 17.089 -9.240 5.113 1.00 0.00 C ATOM 928 O GLY A 69 17.760 -8.281 4.738 1.00 0.00 O ATOM 0 H GLY A 69 16.474 -12.334 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.785 -10.938 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.687 -10.611 4.743 1.00 0.00 H new ATOM 932 N ASN A 70 15.827 -9.127 5.484 1.00 0.00 N ATOM 933 CA ASN A 70 15.116 -7.864 5.380 1.00 0.00 C ATOM 934 C ASN A 70 14.280 -7.611 6.624 1.00 0.00 C ATOM 935 O ASN A 70 13.931 -8.543 7.351 1.00 0.00 O ATOM 936 CB ASN A 70 14.223 -7.865 4.140 1.00 0.00 C ATOM 937 CG ASN A 70 14.559 -6.739 3.187 1.00 0.00 C ATOM 938 OD1 ASN A 70 14.185 -5.588 3.407 1.00 0.00 O ATOM 939 ND2 ASN A 70 15.274 -7.060 2.119 1.00 0.00 N ATOM 0 H ASN A 70 15.272 -9.895 5.861 1.00 0.00 H new ATOM 0 HA ASN A 70 15.850 -7.063 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.326 -8.819 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.180 -7.779 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.533 -6.341 1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.565 -8.026 1.972 1.00 0.00 H new ATOM 946 N SER A 71 13.970 -6.348 6.866 1.00 0.00 N ATOM 947 CA SER A 71 13.163 -5.964 8.012 1.00 0.00 C ATOM 948 C SER A 71 11.710 -6.401 7.826 1.00 0.00 C ATOM 949 O SER A 71 11.067 -6.870 8.765 1.00 0.00 O ATOM 950 CB SER A 71 13.242 -4.449 8.198 1.00 0.00 C ATOM 951 OG SER A 71 14.199 -3.887 7.312 1.00 0.00 O ATOM 0 H SER A 71 14.267 -5.567 6.280 1.00 0.00 H new ATOM 0 HA SER A 71 13.550 -6.461 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.264 -4.003 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.512 -4.217 9.228 1.00 0.00 H new ATOM 0 HG SER A 71 14.236 -2.916 7.443 1.00 0.00 H new ATOM 957 N PHE A 72 11.208 -6.263 6.605 1.00 0.00 N ATOM 958 CA PHE A 72 9.828 -6.616 6.303 1.00 0.00 C ATOM 959 C PHE A 72 9.767 -7.840 5.396 1.00 0.00 C ATOM 960 O PHE A 72 10.798 -8.347 4.949 1.00 0.00 O ATOM 961 CB PHE A 72 9.102 -5.422 5.665 1.00 0.00 C ATOM 962 CG PHE A 72 9.403 -5.220 4.206 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.651 -4.785 3.793 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.434 -5.464 3.250 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.925 -4.598 2.452 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.700 -5.279 1.909 1.00 0.00 C ATOM 967 CZ PHE A 72 9.948 -4.845 1.509 1.00 0.00 C ATOM 0 H PHE A 72 11.737 -5.909 5.808 1.00 0.00 H new ATOM 0 HA PHE A 72 9.323 -6.868 7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.027 -5.559 5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.371 -4.516 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.419 -4.590 4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.456 -5.804 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.902 -4.259 2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.933 -5.473 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.159 -4.699 0.460 1.00 0.00 H new ATOM 977 N LEU A 73 8.560 -8.312 5.130 1.00 0.00 N ATOM 978 CA LEU A 73 8.361 -9.517 4.336 1.00 0.00 C ATOM 979 C LEU A 73 8.155 -9.180 2.860 1.00 0.00 C ATOM 980 O LEU A 73 7.225 -8.461 2.505 1.00 0.00 O ATOM 981 CB LEU A 73 7.154 -10.307 4.858 1.00 0.00 C ATOM 982 CG LEU A 73 6.334 -9.623 5.952 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.265 -8.731 5.344 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.704 -10.660 6.869 1.00 0.00 C ATOM 0 H LEU A 73 7.697 -7.876 5.454 1.00 0.00 H new ATOM 0 HA LEU A 73 9.260 -10.127 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.494 -10.524 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.508 -11.264 5.240 1.00 0.00 H new ATOM 0 HG LEU A 73 7.004 -8.998 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.693 -8.254 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.737 -7.966 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.597 -9.332 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.124 -10.157 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.049 -11.309 6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.487 -11.258 7.334 1.00 0.00 H new ATOM 996 N ILE A 74 9.023 -9.706 2.006 1.00 0.00 N ATOM 997 CA ILE A 74 8.903 -9.491 0.572 1.00 0.00 C ATOM 998 C ILE A 74 7.996 -10.556 -0.054 1.00 0.00 C ATOM 999 O ILE A 74 8.229 -11.757 0.090 1.00 0.00 O ATOM 1000 CB ILE A 74 10.288 -9.484 -0.124 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.122 -9.359 -1.639 1.00 0.00 C ATOM 1002 CG2 ILE A 74 11.088 -10.733 0.226 1.00 0.00 C ATOM 1003 CD1 ILE A 74 11.317 -8.739 -2.332 1.00 0.00 C ATOM 0 H ILE A 74 9.817 -10.284 2.282 1.00 0.00 H new ATOM 0 HA ILE A 74 8.453 -8.510 0.422 1.00 0.00 H new ATOM 0 HB ILE A 74 10.844 -8.620 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.942 -10.349 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.238 -8.758 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 74 12.054 -10.699 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.242 -10.776 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.541 -11.618 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 74 11.127 -8.683 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.485 -7.736 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.200 -9.352 -2.152 1.00 0.00 H new ATOM 1015 N ILE A 75 6.957 -10.105 -0.736 1.00 0.00 N ATOM 1016 CA ILE A 75 5.952 -10.999 -1.292 1.00 0.00 C ATOM 1017 C ILE A 75 6.281 -11.351 -2.737 1.00 0.00 C ATOM 1018 O ILE A 75 6.634 -10.480 -3.536 1.00 0.00 O ATOM 1019 CB ILE A 75 4.550 -10.354 -1.223 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.268 -9.860 0.192 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.472 -11.327 -1.667 1.00 0.00 C ATOM 1022 CD1 ILE A 75 4.109 -8.363 0.284 1.00 0.00 C ATOM 0 H ILE A 75 6.786 -9.116 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 75 5.953 -11.912 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 75 4.535 -9.505 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.360 -10.338 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.082 -10.172 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.497 -10.843 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.661 -11.635 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.483 -12.203 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.910 -8.081 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.025 -7.878 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.277 -8.046 -0.345 1.00 0.00 H new ATOM 1034 N ASN A 76 6.150 -12.632 -3.070 1.00 0.00 N ATOM 1035 CA ASN A 76 6.448 -13.116 -4.414 1.00 0.00 C ATOM 1036 C ASN A 76 5.416 -12.608 -5.410 1.00 0.00 C ATOM 1037 O ASN A 76 5.652 -12.613 -6.617 1.00 0.00 O ATOM 1038 CB ASN A 76 6.463 -14.648 -4.448 1.00 0.00 C ATOM 1039 CG ASN A 76 7.640 -15.246 -3.704 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.691 -15.509 -4.286 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.469 -15.475 -2.411 1.00 0.00 N ATOM 0 H ASN A 76 5.838 -13.357 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 76 7.433 -12.739 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.537 -15.024 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.488 -14.983 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.225 -15.884 -1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.582 -15.243 -1.965 1.00 0.00 H new ATOM 1048 N ALA A 77 4.268 -12.177 -4.883 1.00 0.00 N ATOM 1049 CA ALA A 77 3.153 -11.702 -5.698 1.00 0.00 C ATOM 1050 C ALA A 77 2.613 -12.827 -6.571 1.00 0.00 C ATOM 1051 O ALA A 77 2.129 -12.597 -7.680 1.00 0.00 O ATOM 1052 CB ALA A 77 3.564 -10.504 -6.546 1.00 0.00 C ATOM 0 H ALA A 77 4.087 -12.148 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 77 2.357 -11.376 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.714 -10.172 -7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.890 -9.693 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.382 -10.790 -7.207 1.00 0.00 H new ATOM 1058 N ALA A 78 2.705 -14.050 -6.059 1.00 0.00 N ATOM 1059 CA ALA A 78 2.239 -15.222 -6.783 1.00 0.00 C ATOM 1060 C ALA A 78 0.719 -15.227 -6.888 1.00 0.00 C ATOM 1061 O ALA A 78 0.162 -15.279 -7.984 1.00 0.00 O ATOM 1062 CB ALA A 78 2.731 -16.491 -6.105 1.00 0.00 C ATOM 0 H ALA A 78 3.100 -14.253 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 78 2.647 -15.185 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.375 -17.360 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.821 -16.495 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.351 -16.529 -5.084 1.00 0.00 H new ATOM 1068 N ASN A 79 0.054 -15.172 -5.743 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.402 -15.139 -5.700 1.00 0.00 C ATOM 1070 C ASN A 79 -1.871 -13.864 -5.017 1.00 0.00 C ATOM 1071 O ASN A 79 -2.113 -13.850 -3.816 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.952 -16.357 -4.945 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.266 -17.660 -5.323 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.670 -18.339 -6.265 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.224 -18.020 -4.586 1.00 0.00 N ATOM 0 H ASN A 79 0.502 -15.149 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.775 -15.164 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.839 -16.193 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.020 -16.446 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.272 -18.887 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.082 -17.430 -3.812 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.986 -12.792 -5.775 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.403 -11.515 -5.217 1.00 0.00 C ATOM 1084 C CYS A 80 -3.729 -11.080 -5.820 1.00 0.00 C ATOM 1085 O CYS A 80 -3.922 -11.149 -7.034 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.329 -10.454 -5.460 1.00 0.00 C ATOM 1087 SG CYS A 80 0.140 -10.624 -4.394 1.00 0.00 S ATOM 0 H CYS A 80 -1.798 -12.776 -6.777 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.537 -11.632 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.015 -10.502 -6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.766 -9.468 -5.304 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.645 -10.638 -4.975 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.962 -10.236 -5.436 1.00 0.00 C ATOM 1094 C VAL A 81 -6.367 -8.895 -4.841 1.00 0.00 C ATOM 1095 O VAL A 81 -6.079 -8.593 -3.679 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.030 -11.309 -5.114 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -6.787 -11.923 -3.747 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -8.446 -10.751 -5.208 1.00 0.00 C ATOM 0 H VAL A 81 -4.501 -10.549 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.904 -10.131 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.936 -12.091 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.551 -12.674 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.803 -12.392 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.832 -11.145 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.163 -11.538 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.562 -9.932 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.626 -10.384 -6.218 1.00 0.00 H new ATOM 1108 N ALA A 82 -7.019 -8.099 -5.668 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.530 -6.800 -5.276 1.00 0.00 C ATOM 1110 C ALA A 82 -8.623 -6.381 -6.242 1.00 0.00 C ATOM 1111 O ALA A 82 -8.368 -6.421 -7.465 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.418 -5.762 -5.248 1.00 0.00 C ATOM 1113 OXT ALA A 82 -9.733 -6.053 -5.784 1.00 0.00 O ATOM 0 H ALA A 82 -7.210 -8.339 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.942 -6.871 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.829 -4.797 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.654 -6.067 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.974 -5.678 -6.240 1.00 0.00 H new