USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 309 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 117 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 ASN :FLIP amide:sc= -1.43 F(o=-2.3,f=-1.4) USER MOD Set 2.1: A 111 SER OG : rot 125:sc= 0.568 USER MOD Set 2.2: A 113 SER OG : rot 180:sc= 0.614 USER MOD Single : A 83 SER OG : rot 30:sc= 0.0693 USER MOD Single : A 85 SER OG : rot 57:sc= -0.0892 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= -0.341 (180deg=-0.438) USER MOD Single : A 115 SER OG : rot 61:sc= 0.846 USER MOD Single : A 118 TYR OH : rot 162:sc= 0.65 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 93:sc= 0.0476 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00579) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 63.811 17.093 1.890 1.00 0.00 N ATOM 2 CA GLY A 82 63.219 16.486 3.115 1.00 0.00 C ATOM 3 C GLY A 82 62.538 17.509 4.001 1.00 0.00 C ATOM 4 O GLY A 82 63.025 17.818 5.089 1.00 0.00 O ATOM 0 HA2 GLY A 82 62.496 15.723 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 82 64.003 15.984 3.682 1.00 0.00 H new ATOM 10 N SER A 83 61.408 18.037 3.539 1.00 0.00 N ATOM 11 CA SER A 83 60.668 19.031 4.308 1.00 0.00 C ATOM 12 C SER A 83 59.166 18.927 4.058 1.00 0.00 C ATOM 13 O SER A 83 58.408 18.524 4.940 1.00 0.00 O ATOM 14 CB SER A 83 61.157 20.439 3.964 1.00 0.00 C ATOM 15 OG SER A 83 62.202 20.843 4.832 1.00 0.00 O ATOM 0 H SER A 83 60.987 17.795 2.642 1.00 0.00 H new ATOM 0 HA SER A 83 60.849 18.834 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 83 61.507 20.464 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 83 60.328 21.143 4.036 1.00 0.00 H new ATOM 0 HG SER A 83 62.705 20.055 5.127 1.00 0.00 H new ATOM 21 N GLY A 84 58.740 19.303 2.853 1.00 0.00 N ATOM 22 CA GLY A 84 57.327 19.256 2.507 1.00 0.00 C ATOM 23 C GLY A 84 56.648 17.967 2.936 1.00 0.00 C ATOM 24 O GLY A 84 55.855 17.960 3.877 1.00 0.00 O ATOM 0 H GLY A 84 59.350 19.640 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 84 56.817 20.100 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 84 57.220 19.374 1.429 1.00 0.00 H new ATOM 28 N SER A 85 56.957 16.877 2.243 1.00 0.00 N ATOM 29 CA SER A 85 56.369 15.579 2.557 1.00 0.00 C ATOM 30 C SER A 85 56.989 14.481 1.700 1.00 0.00 C ATOM 31 O SER A 85 56.397 14.039 0.715 1.00 0.00 O ATOM 32 CB SER A 85 54.853 15.618 2.345 1.00 0.00 C ATOM 33 OG SER A 85 54.164 15.611 3.583 1.00 0.00 O ATOM 0 H SER A 85 57.611 16.866 1.460 1.00 0.00 H new ATOM 0 HA SER A 85 56.575 15.356 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.585 16.511 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.544 14.760 1.749 1.00 0.00 H new ATOM 0 HG SER A 85 54.463 16.368 4.128 1.00 0.00 H new ATOM 39 N GLU A 86 58.189 14.049 2.076 1.00 0.00 N ATOM 40 CA GLU A 86 58.902 13.008 1.341 1.00 0.00 C ATOM 41 C GLU A 86 58.016 11.782 1.110 1.00 0.00 C ATOM 42 O GLU A 86 57.333 11.324 2.026 1.00 0.00 O ATOM 43 CB GLU A 86 60.162 12.597 2.104 1.00 0.00 C ATOM 44 CG GLU A 86 61.122 13.747 2.359 1.00 0.00 C ATOM 45 CD GLU A 86 62.300 13.742 1.403 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.076 13.902 0.185 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.445 13.579 1.873 1.00 0.00 O ATOM 0 H GLU A 86 58.691 14.406 2.889 1.00 0.00 H new ATOM 0 HA GLU A 86 59.180 13.416 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.872 12.159 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.680 11.820 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.586 14.691 2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.489 13.689 3.384 1.00 0.00 H new ATOM 54 N PRO A 87 58.014 11.229 -0.119 1.00 0.00 N ATOM 55 CA PRO A 87 57.208 10.056 -0.454 1.00 0.00 C ATOM 56 C PRO A 87 57.829 8.758 0.060 1.00 0.00 C ATOM 57 O PRO A 87 59.017 8.504 -0.143 1.00 0.00 O ATOM 58 CB PRO A 87 57.173 10.052 -1.993 1.00 0.00 C ATOM 59 CG PRO A 87 57.921 11.271 -2.434 1.00 0.00 C ATOM 60 CD PRO A 87 58.784 11.691 -1.279 1.00 0.00 C ATOM 0 HA PRO A 87 56.221 10.109 0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.635 9.148 -2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 87 56.146 10.073 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.529 11.055 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.232 12.068 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.770 11.229 -1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.938 12.770 -1.260 1.00 0.00 H new ATOM 68 N ALA A 88 57.016 7.940 0.718 1.00 0.00 N ATOM 69 CA ALA A 88 57.476 6.666 1.255 1.00 0.00 C ATOM 70 C ALA A 88 56.686 5.510 0.651 1.00 0.00 C ATOM 71 O ALA A 88 55.571 5.215 1.081 1.00 0.00 O ATOM 72 CB ALA A 88 57.355 6.656 2.772 1.00 0.00 C ATOM 0 H ALA A 88 56.031 8.138 0.893 1.00 0.00 H new ATOM 0 HA ALA A 88 58.525 6.540 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.702 5.698 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.963 7.458 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.313 6.805 3.055 1.00 0.00 H new ATOM 78 N VAL A 89 57.269 4.863 -0.352 1.00 0.00 N ATOM 79 CA VAL A 89 56.618 3.744 -1.021 1.00 0.00 C ATOM 80 C VAL A 89 56.756 2.460 -0.211 1.00 0.00 C ATOM 81 O VAL A 89 57.841 2.129 0.267 1.00 0.00 O ATOM 82 CB VAL A 89 57.202 3.513 -2.429 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.331 2.547 -3.221 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.358 4.837 -3.168 1.00 0.00 C ATOM 0 H VAL A 89 58.192 5.095 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 89 55.563 4.002 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 89 58.190 3.066 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.761 2.398 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.281 1.591 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.327 2.960 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.772 4.654 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.384 5.317 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.030 5.488 -2.609 1.00 0.00 H new ATOM 94 N CYS A 90 55.650 1.739 -0.065 1.00 0.00 N ATOM 95 CA CYS A 90 55.649 0.489 0.683 1.00 0.00 C ATOM 96 C CYS A 90 56.238 -0.639 -0.155 1.00 0.00 C ATOM 97 O CYS A 90 55.721 -0.973 -1.221 1.00 0.00 O ATOM 98 CB CYS A 90 54.230 0.133 1.124 1.00 0.00 C ATOM 99 SG CYS A 90 54.149 -1.219 2.321 1.00 0.00 S ATOM 0 H CYS A 90 54.744 1.999 -0.455 1.00 0.00 H new ATOM 0 HA CYS A 90 56.269 0.621 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.763 1.017 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.645 -0.138 0.245 1.00 0.00 H new ATOM 104 N GLU A 91 57.332 -1.213 0.329 1.00 0.00 N ATOM 105 CA GLU A 91 58.010 -2.295 -0.374 1.00 0.00 C ATOM 106 C GLU A 91 57.147 -3.555 -0.447 1.00 0.00 C ATOM 107 O GLU A 91 57.385 -4.426 -1.283 1.00 0.00 O ATOM 108 CB GLU A 91 59.335 -2.614 0.323 1.00 0.00 C ATOM 109 CG GLU A 91 60.545 -1.994 -0.355 1.00 0.00 C ATOM 110 CD GLU A 91 60.861 -2.638 -1.690 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.336 -3.793 -1.694 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.632 -1.989 -2.732 1.00 0.00 O ATOM 0 H GLU A 91 57.771 -0.946 1.210 1.00 0.00 H new ATOM 0 HA GLU A 91 58.198 -1.962 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.287 -2.263 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.465 -3.696 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.367 -0.929 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 91 61.410 -2.085 0.301 1.00 0.00 H new ATOM 119 N MET A 92 56.161 -3.661 0.440 1.00 0.00 N ATOM 120 CA MET A 92 55.295 -4.836 0.469 1.00 0.00 C ATOM 121 C MET A 92 54.042 -4.655 -0.388 1.00 0.00 C ATOM 122 O MET A 92 53.785 -5.447 -1.294 1.00 0.00 O ATOM 123 CB MET A 92 54.893 -5.157 1.909 1.00 0.00 C ATOM 124 CG MET A 92 54.419 -6.588 2.104 1.00 0.00 C ATOM 125 SD MET A 92 52.631 -6.757 1.938 1.00 0.00 S ATOM 126 CE MET A 92 52.501 -8.457 1.388 1.00 0.00 C ATOM 0 H MET A 92 55.943 -2.954 1.142 1.00 0.00 H new ATOM 0 HA MET A 92 55.864 -5.665 0.049 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.744 -4.972 2.565 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.100 -4.475 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.910 -7.232 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 92 54.723 -6.936 3.091 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.452 -8.713 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.039 -8.577 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.933 -9.117 2.140 1.00 0.00 H new ATOM 136 N CYS A 93 53.250 -3.630 -0.087 1.00 0.00 N ATOM 137 CA CYS A 93 52.012 -3.377 -0.821 1.00 0.00 C ATOM 138 C CYS A 93 52.240 -2.490 -2.043 1.00 0.00 C ATOM 139 O CYS A 93 51.544 -2.623 -3.050 1.00 0.00 O ATOM 140 CB CYS A 93 50.980 -2.721 0.099 1.00 0.00 C ATOM 141 SG CYS A 93 50.894 -3.440 1.757 1.00 0.00 S ATOM 0 H CYS A 93 53.442 -2.961 0.659 1.00 0.00 H new ATOM 0 HA CYS A 93 51.641 -4.341 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.213 -1.660 0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.997 -2.794 -0.367 1.00 0.00 H new ATOM 146 N GLY A 94 53.207 -1.584 -1.954 1.00 0.00 N ATOM 147 CA GLY A 94 53.490 -0.695 -3.066 1.00 0.00 C ATOM 148 C GLY A 94 52.708 0.605 -2.996 1.00 0.00 C ATOM 149 O GLY A 94 52.567 1.304 -3.999 1.00 0.00 O ATOM 0 H GLY A 94 53.799 -1.449 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.557 -0.471 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.256 -1.204 -4.001 1.00 0.00 H new ATOM 153 N ILE A 95 52.211 0.939 -1.808 1.00 0.00 N ATOM 154 CA ILE A 95 51.457 2.172 -1.617 1.00 0.00 C ATOM 155 C ILE A 95 52.398 3.308 -1.237 1.00 0.00 C ATOM 156 O ILE A 95 53.209 3.177 -0.321 1.00 0.00 O ATOM 157 CB ILE A 95 50.366 2.011 -0.531 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.223 1.140 -1.054 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.832 3.369 -0.090 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.510 -0.344 -0.986 1.00 0.00 C ATOM 0 H ILE A 95 52.317 0.374 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 95 50.963 2.407 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 95 50.816 1.523 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 95 48.322 1.354 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.013 1.414 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 95 49.067 3.229 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.648 3.965 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.399 3.885 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.655 -0.898 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 95 50.392 -0.572 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.690 -0.633 0.050 1.00 0.00 H new ATOM 172 N VAL A 96 52.295 4.414 -1.959 1.00 0.00 N ATOM 173 CA VAL A 96 53.146 5.567 -1.709 1.00 0.00 C ATOM 174 C VAL A 96 52.386 6.666 -0.974 1.00 0.00 C ATOM 175 O VAL A 96 51.239 6.969 -1.304 1.00 0.00 O ATOM 176 CB VAL A 96 53.709 6.131 -3.025 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.863 7.080 -2.748 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.150 5.004 -3.948 1.00 0.00 C ATOM 0 H VAL A 96 51.630 4.537 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 96 53.971 5.228 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 96 52.918 6.690 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.248 7.469 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.514 7.907 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.656 6.546 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.545 5.425 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.925 4.414 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.297 4.365 -4.175 1.00 0.00 H new ATOM 188 N GLY A 97 53.039 7.269 0.015 1.00 0.00 N ATOM 189 CA GLY A 97 52.424 8.339 0.778 1.00 0.00 C ATOM 190 C GLY A 97 53.454 9.321 1.300 1.00 0.00 C ATOM 191 O GLY A 97 54.637 9.199 0.997 1.00 0.00 O ATOM 0 H GLY A 97 53.989 7.033 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.705 8.866 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.868 7.916 1.615 1.00 0.00 H new ATOM 195 N THR A 98 53.015 10.285 2.099 1.00 0.00 N ATOM 196 CA THR A 98 53.928 11.271 2.669 1.00 0.00 C ATOM 197 C THR A 98 54.456 10.788 4.016 1.00 0.00 C ATOM 198 O THR A 98 53.735 10.145 4.778 1.00 0.00 O ATOM 199 CB THR A 98 53.230 12.623 2.832 1.00 0.00 C ATOM 200 OG1 THR A 98 52.273 12.572 3.876 1.00 0.00 O ATOM 201 CG2 THR A 98 52.519 13.084 1.578 1.00 0.00 C ATOM 0 H THR A 98 52.038 10.406 2.367 1.00 0.00 H new ATOM 0 HA THR A 98 54.768 11.395 1.985 1.00 0.00 H new ATOM 0 HB THR A 98 54.025 13.333 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.839 13.446 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.045 14.048 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.240 13.183 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.759 12.353 1.301 1.00 0.00 H new ATOM 209 N ARG A 99 55.723 11.081 4.296 1.00 0.00 N ATOM 210 CA ARG A 99 56.361 10.663 5.543 1.00 0.00 C ATOM 211 C ARG A 99 55.464 10.883 6.761 1.00 0.00 C ATOM 212 O ARG A 99 55.399 10.035 7.650 1.00 0.00 O ATOM 213 CB ARG A 99 57.677 11.417 5.732 1.00 0.00 C ATOM 214 CG ARG A 99 57.542 12.922 5.570 1.00 0.00 C ATOM 215 CD ARG A 99 58.894 13.613 5.631 1.00 0.00 C ATOM 216 NE ARG A 99 59.375 13.757 7.002 1.00 0.00 N ATOM 217 CZ ARG A 99 58.960 14.707 7.838 1.00 0.00 C ATOM 218 NH1 ARG A 99 58.055 15.596 7.446 1.00 0.00 N ATOM 219 NH2 ARG A 99 59.450 14.768 9.068 1.00 0.00 N ATOM 0 H ARG A 99 56.332 11.610 3.672 1.00 0.00 H new ATOM 0 HA ARG A 99 56.549 9.592 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.071 11.200 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.406 11.046 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.061 13.145 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.895 13.317 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.619 13.042 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 99 58.819 14.597 5.168 1.00 0.00 H new ATOM 0 HE ARG A 99 60.070 13.091 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.674 15.553 6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 99 57.740 16.322 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 99 60.145 14.087 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 99 59.132 15.496 9.708 1.00 0.00 H new ATOM 233 N GLU A 100 54.785 12.027 6.809 1.00 0.00 N ATOM 234 CA GLU A 100 53.910 12.348 7.936 1.00 0.00 C ATOM 235 C GLU A 100 52.635 11.500 7.939 1.00 0.00 C ATOM 236 O GLU A 100 51.790 11.650 8.822 1.00 0.00 O ATOM 237 CB GLU A 100 53.539 13.832 7.908 1.00 0.00 C ATOM 238 CG GLU A 100 54.594 14.736 8.527 1.00 0.00 C ATOM 239 CD GLU A 100 54.102 15.436 9.779 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.001 16.681 9.763 1.00 0.00 O ATOM 241 OE2 GLU A 100 53.816 14.739 10.776 1.00 0.00 O ATOM 0 H GLU A 100 54.823 12.744 6.085 1.00 0.00 H new ATOM 0 HA GLU A 100 54.462 12.120 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.373 14.137 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.597 13.972 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.477 14.144 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.902 15.483 7.795 1.00 0.00 H new ATOM 248 N ALA A 101 52.493 10.616 6.956 1.00 0.00 N ATOM 249 CA ALA A 101 51.315 9.762 6.866 1.00 0.00 C ATOM 250 C ALA A 101 51.680 8.291 7.053 1.00 0.00 C ATOM 251 O ALA A 101 50.861 7.494 7.510 1.00 0.00 O ATOM 252 CB ALA A 101 50.616 9.972 5.531 1.00 0.00 C ATOM 0 H ALA A 101 53.177 10.473 6.213 1.00 0.00 H new ATOM 0 HA ALA A 101 50.633 10.040 7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.738 9.329 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.309 11.014 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.300 9.724 4.719 1.00 0.00 H new ATOM 258 N PHE A 102 52.908 7.936 6.689 1.00 0.00 N ATOM 259 CA PHE A 102 53.371 6.558 6.811 1.00 0.00 C ATOM 260 C PHE A 102 53.971 6.292 8.189 1.00 0.00 C ATOM 261 O PHE A 102 54.358 7.218 8.902 1.00 0.00 O ATOM 262 CB PHE A 102 54.402 6.247 5.723 1.00 0.00 C ATOM 263 CG PHE A 102 53.847 5.427 4.594 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.835 5.927 3.790 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.333 4.154 4.340 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.318 5.174 2.754 1.00 0.00 C ATOM 267 CE2 PHE A 102 53.820 3.396 3.304 1.00 0.00 C ATOM 268 CZ PHE A 102 52.811 3.906 2.511 1.00 0.00 C ATOM 0 H PHE A 102 53.599 8.582 6.308 1.00 0.00 H new ATOM 0 HA PHE A 102 52.508 5.904 6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.793 7.183 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.242 5.715 6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.446 6.917 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.121 3.750 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.530 5.576 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.208 2.406 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.408 3.315 1.702 1.00 0.00 H new ATOM 278 N PHE A 103 54.041 5.013 8.552 1.00 0.00 N ATOM 279 CA PHE A 103 54.589 4.597 9.841 1.00 0.00 C ATOM 280 C PHE A 103 55.889 5.334 10.158 1.00 0.00 C ATOM 281 O PHE A 103 56.935 5.045 9.579 1.00 0.00 O ATOM 282 CB PHE A 103 54.835 3.087 9.835 1.00 0.00 C ATOM 283 CG PHE A 103 54.853 2.466 11.203 1.00 0.00 C ATOM 284 CD1 PHE A 103 53.937 2.851 12.170 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.787 1.493 11.521 1.00 0.00 C ATOM 286 CE1 PHE A 103 53.954 2.278 13.427 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.809 0.917 12.776 1.00 0.00 C ATOM 288 CZ PHE A 103 54.892 1.310 13.731 1.00 0.00 C ATOM 0 H PHE A 103 53.722 4.241 7.966 1.00 0.00 H new ATOM 0 HA PHE A 103 53.863 4.848 10.615 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.060 2.605 9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.787 2.886 9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.202 3.607 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.507 1.181 10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 103 53.235 2.586 14.171 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.543 0.160 13.010 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.908 0.862 14.713 1.00 0.00 H new ATOM 298 N SER A 104 55.810 6.291 11.078 1.00 0.00 N ATOM 299 CA SER A 104 56.974 7.077 11.473 1.00 0.00 C ATOM 300 C SER A 104 58.102 6.185 11.984 1.00 0.00 C ATOM 301 O SER A 104 59.275 6.552 11.911 1.00 0.00 O ATOM 302 CB SER A 104 56.587 8.090 12.551 1.00 0.00 C ATOM 303 OG SER A 104 56.049 7.442 13.691 1.00 0.00 O ATOM 0 H SER A 104 54.949 6.541 11.565 1.00 0.00 H new ATOM 0 HA SER A 104 57.332 7.606 10.590 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.463 8.672 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 104 55.856 8.792 12.149 1.00 0.00 H new ATOM 0 HG SER A 104 55.811 8.111 14.366 1.00 0.00 H new ATOM 309 N LYS A 105 57.743 5.015 12.504 1.00 0.00 N ATOM 310 CA LYS A 105 58.730 4.077 13.030 1.00 0.00 C ATOM 311 C LYS A 105 59.809 3.775 11.995 1.00 0.00 C ATOM 312 O LYS A 105 60.992 4.027 12.226 1.00 0.00 O ATOM 313 CB LYS A 105 58.048 2.779 13.465 1.00 0.00 C ATOM 314 CG LYS A 105 58.780 2.053 14.583 1.00 0.00 C ATOM 315 CD LYS A 105 57.824 1.597 15.676 1.00 0.00 C ATOM 316 CE LYS A 105 57.873 2.521 16.883 1.00 0.00 C ATOM 317 NZ LYS A 105 56.512 2.825 17.404 1.00 0.00 N ATOM 0 H LYS A 105 56.777 4.694 12.572 1.00 0.00 H new ATOM 0 HA LYS A 105 59.205 4.540 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.033 3.004 13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.966 2.115 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.305 1.189 14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.536 2.711 15.011 1.00 0.00 H new ATOM 0 HD2 LYS A 105 56.808 1.566 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 105 58.078 0.583 15.983 1.00 0.00 H new ATOM 0 HE2 LYS A 105 58.468 2.059 17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 105 58.373 3.450 16.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 56.588 3.457 18.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 55.952 3.289 16.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 56.044 1.941 17.689 1.00 0.00 H new ATOM 331 N THR A 106 59.395 3.233 10.855 1.00 0.00 N ATOM 332 CA THR A 106 60.328 2.897 9.786 1.00 0.00 C ATOM 333 C THR A 106 60.063 3.746 8.547 1.00 0.00 C ATOM 334 O THR A 106 60.995 4.247 7.917 1.00 0.00 O ATOM 335 CB THR A 106 60.219 1.412 9.436 1.00 0.00 C ATOM 336 OG1 THR A 106 58.879 0.969 9.545 1.00 0.00 O ATOM 337 CG2 THR A 106 61.069 0.526 10.321 1.00 0.00 C ATOM 0 H THR A 106 58.420 3.017 10.647 1.00 0.00 H new ATOM 0 HA THR A 106 61.338 3.107 10.138 1.00 0.00 H new ATOM 0 HB THR A 106 60.580 1.329 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.829 0.017 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.946 -0.514 10.020 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.116 0.811 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.758 0.643 11.359 1.00 0.00 H new ATOM 345 N LYS A 107 58.783 3.899 8.204 1.00 0.00 N ATOM 346 CA LYS A 107 58.369 4.686 7.039 1.00 0.00 C ATOM 347 C LYS A 107 58.442 3.863 5.752 1.00 0.00 C ATOM 348 O LYS A 107 57.786 4.191 4.763 1.00 0.00 O ATOM 349 CB LYS A 107 59.221 5.955 6.900 1.00 0.00 C ATOM 350 CG LYS A 107 58.407 7.207 6.616 1.00 0.00 C ATOM 351 CD LYS A 107 57.700 7.706 7.866 1.00 0.00 C ATOM 352 CE LYS A 107 58.472 8.835 8.531 1.00 0.00 C ATOM 353 NZ LYS A 107 59.897 8.469 8.766 1.00 0.00 N ATOM 0 H LYS A 107 58.008 3.484 8.721 1.00 0.00 H new ATOM 0 HA LYS A 107 57.331 4.977 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.790 6.102 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.943 5.811 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.062 7.988 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.671 6.996 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.700 8.052 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.579 6.883 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.424 9.726 7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.000 9.087 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.364 9.222 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.943 7.577 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.381 8.352 7.853 1.00 0.00 H new ATOM 367 N ARG A 108 59.235 2.794 5.764 1.00 0.00 N ATOM 368 CA ARG A 108 59.377 1.937 4.593 1.00 0.00 C ATOM 369 C ARG A 108 58.079 1.192 4.306 1.00 0.00 C ATOM 370 O ARG A 108 57.737 0.947 3.150 1.00 0.00 O ATOM 371 CB ARG A 108 60.521 0.940 4.798 1.00 0.00 C ATOM 372 CG ARG A 108 61.781 1.294 4.022 1.00 0.00 C ATOM 373 CD ARG A 108 63.014 1.270 4.913 1.00 0.00 C ATOM 374 NE ARG A 108 62.933 2.258 5.986 1.00 0.00 N ATOM 375 CZ ARG A 108 63.987 2.698 6.669 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.203 2.243 6.394 1.00 0.00 N ATOM 377 NH2 ARG A 108 63.825 3.597 7.631 1.00 0.00 N ATOM 0 H ARG A 108 59.787 2.502 6.570 1.00 0.00 H new ATOM 0 HA ARG A 108 59.608 2.569 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.761 0.887 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.186 -0.053 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 108 61.912 0.591 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.670 2.284 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.131 0.276 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.901 1.462 4.310 1.00 0.00 H new ATOM 0 HE ARG A 108 62.015 2.632 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.334 1.552 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.007 2.584 6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 108 62.893 3.951 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.633 3.935 8.155 1.00 0.00 H new ATOM 391 N PHE A 109 57.357 0.840 5.364 1.00 0.00 N ATOM 392 CA PHE A 109 56.091 0.129 5.223 1.00 0.00 C ATOM 393 C PHE A 109 54.946 0.958 5.796 1.00 0.00 C ATOM 394 O PHE A 109 55.138 1.732 6.734 1.00 0.00 O ATOM 395 CB PHE A 109 56.160 -1.231 5.917 1.00 0.00 C ATOM 396 CG PHE A 109 57.433 -1.981 5.643 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.300 -2.295 6.677 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.764 -2.374 4.353 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.471 -2.986 6.431 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.932 -3.063 4.104 1.00 0.00 C ATOM 401 CZ PHE A 109 59.787 -3.369 5.143 1.00 0.00 C ATOM 0 H PHE A 109 57.626 1.035 6.328 1.00 0.00 H new ATOM 0 HA PHE A 109 55.905 -0.033 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.057 -1.087 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.314 -1.838 5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.058 -1.996 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 109 57.099 -2.137 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.138 -3.226 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 109 59.178 -3.363 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.703 -3.908 4.949 1.00 0.00 H new ATOM 411 N CYS A 110 53.762 0.813 5.210 1.00 0.00 N ATOM 412 CA CYS A 110 52.586 1.564 5.634 1.00 0.00 C ATOM 413 C CYS A 110 52.105 1.183 7.037 1.00 0.00 C ATOM 414 O CYS A 110 51.206 1.827 7.576 1.00 0.00 O ATOM 415 CB CYS A 110 51.453 1.344 4.628 1.00 0.00 C ATOM 416 SG CYS A 110 51.075 -0.398 4.312 1.00 0.00 S ATOM 0 H CYS A 110 53.591 0.175 4.432 1.00 0.00 H new ATOM 0 HA CYS A 110 52.873 2.615 5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.554 1.839 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.719 1.824 3.686 1.00 0.00 H new ATOM 421 N SER A 111 52.686 0.142 7.629 1.00 0.00 N ATOM 422 CA SER A 111 52.271 -0.280 8.965 1.00 0.00 C ATOM 423 C SER A 111 53.300 -1.196 9.618 1.00 0.00 C ATOM 424 O SER A 111 54.198 -1.716 8.956 1.00 0.00 O ATOM 425 CB SER A 111 50.920 -0.994 8.894 1.00 0.00 C ATOM 426 OG SER A 111 51.082 -2.365 8.570 1.00 0.00 O ATOM 0 H SER A 111 53.432 -0.416 7.214 1.00 0.00 H new ATOM 0 HA SER A 111 52.184 0.617 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.406 -0.902 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.290 -0.513 8.146 1.00 0.00 H new ATOM 0 HG SER A 111 50.640 -2.916 9.249 1.00 0.00 H new ATOM 432 N VAL A 112 53.148 -1.395 10.925 1.00 0.00 N ATOM 433 CA VAL A 112 54.049 -2.257 11.678 1.00 0.00 C ATOM 434 C VAL A 112 53.894 -3.707 11.234 1.00 0.00 C ATOM 435 O VAL A 112 54.882 -4.399 10.988 1.00 0.00 O ATOM 436 CB VAL A 112 53.795 -2.151 13.196 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.379 -2.588 13.540 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.816 -2.972 13.970 1.00 0.00 C ATOM 0 H VAL A 112 52.408 -0.970 11.483 1.00 0.00 H new ATOM 0 HA VAL A 112 55.067 -1.923 11.476 1.00 0.00 H new ATOM 0 HB VAL A 112 53.906 -1.106 13.487 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.224 -2.505 14.616 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.665 -1.950 13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.233 -3.623 13.232 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.619 -2.884 15.038 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.742 -4.018 13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.819 -2.603 13.754 1.00 0.00 H new ATOM 448 N SER A 113 52.645 -4.156 11.113 1.00 0.00 N ATOM 449 CA SER A 113 52.366 -5.519 10.675 1.00 0.00 C ATOM 450 C SER A 113 53.010 -5.767 9.318 1.00 0.00 C ATOM 451 O SER A 113 53.566 -6.835 9.063 1.00 0.00 O ATOM 452 CB SER A 113 50.857 -5.756 10.590 1.00 0.00 C ATOM 453 OG SER A 113 50.211 -4.693 9.912 1.00 0.00 O ATOM 0 H SER A 113 51.815 -3.597 11.312 1.00 0.00 H new ATOM 0 HA SER A 113 52.785 -6.213 11.403 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.662 -6.694 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.444 -5.855 11.594 1.00 0.00 H new ATOM 0 HG SER A 113 49.248 -4.869 9.870 1.00 0.00 H new ATOM 459 N CYS A 114 52.943 -4.757 8.458 1.00 0.00 N ATOM 460 CA CYS A 114 53.532 -4.836 7.129 1.00 0.00 C ATOM 461 C CYS A 114 55.050 -4.989 7.225 1.00 0.00 C ATOM 462 O CYS A 114 55.703 -5.421 6.275 1.00 0.00 O ATOM 463 CB CYS A 114 53.182 -3.579 6.330 1.00 0.00 C ATOM 464 SG CYS A 114 53.026 -3.850 4.551 1.00 0.00 S ATOM 0 H CYS A 114 52.483 -3.869 8.661 1.00 0.00 H new ATOM 0 HA CYS A 114 53.127 -5.710 6.618 1.00 0.00 H new ATOM 0 HB2 CYS A 114 52.244 -3.172 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 114 53.950 -2.826 6.505 1.00 0.00 H new ATOM 469 N SER A 115 55.598 -4.638 8.386 1.00 0.00 N ATOM 470 CA SER A 115 57.033 -4.738 8.623 1.00 0.00 C ATOM 471 C SER A 115 57.407 -6.141 9.091 1.00 0.00 C ATOM 472 O SER A 115 58.337 -6.759 8.564 1.00 0.00 O ATOM 473 CB SER A 115 57.473 -3.704 9.661 1.00 0.00 C ATOM 474 OG SER A 115 58.873 -3.495 9.613 1.00 0.00 O ATOM 0 H SER A 115 55.066 -4.281 9.179 1.00 0.00 H new ATOM 0 HA SER A 115 57.549 -4.538 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 115 56.955 -2.762 9.482 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.187 -4.040 10.657 1.00 0.00 H new ATOM 0 HG SER A 115 59.124 -3.165 8.725 1.00 0.00 H new ATOM 480 N ARG A 116 56.652 -6.659 10.056 1.00 0.00 N ATOM 481 CA ARG A 116 56.891 -8.003 10.561 1.00 0.00 C ATOM 482 C ARG A 116 56.433 -9.027 9.533 1.00 0.00 C ATOM 483 O ARG A 116 56.865 -10.180 9.549 1.00 0.00 O ATOM 484 CB ARG A 116 56.157 -8.220 11.886 1.00 0.00 C ATOM 485 CG ARG A 116 54.662 -7.961 11.805 1.00 0.00 C ATOM 486 CD ARG A 116 53.883 -8.904 12.708 1.00 0.00 C ATOM 487 NE ARG A 116 52.522 -8.430 12.949 1.00 0.00 N ATOM 488 CZ ARG A 116 52.223 -7.412 13.754 1.00 0.00 C ATOM 489 NH1 ARG A 116 53.184 -6.759 14.395 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.959 -7.046 13.918 1.00 0.00 N ATOM 0 H ARG A 116 55.875 -6.170 10.500 1.00 0.00 H new ATOM 0 HA ARG A 116 57.959 -8.126 10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.322 -9.245 12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.590 -7.565 12.643 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.455 -6.929 12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.326 -8.082 10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.847 -9.894 12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.404 -9.009 13.659 1.00 0.00 H new ATOM 0 HE ARG A 116 51.756 -8.907 12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 116 54.158 -7.036 14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 116 52.949 -5.980 15.010 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.216 -7.544 13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 116 50.730 -6.266 14.534 1.00 0.00 H new ATOM 504 N SER A 117 55.572 -8.583 8.621 1.00 0.00 N ATOM 505 CA SER A 117 55.070 -9.440 7.563 1.00 0.00 C ATOM 506 C SER A 117 56.084 -9.495 6.431 1.00 0.00 C ATOM 507 O SER A 117 56.507 -10.571 6.017 1.00 0.00 O ATOM 508 CB SER A 117 53.727 -8.924 7.043 1.00 0.00 C ATOM 509 OG SER A 117 53.072 -9.906 6.261 1.00 0.00 O ATOM 0 H SER A 117 55.209 -7.630 8.598 1.00 0.00 H new ATOM 0 HA SER A 117 54.918 -10.443 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.093 -8.641 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.885 -8.026 6.446 1.00 0.00 H new ATOM 0 HG SER A 117 52.216 -9.552 5.942 1.00 0.00 H new ATOM 515 N TYR A 118 56.484 -8.322 5.945 1.00 0.00 N ATOM 516 CA TYR A 118 57.464 -8.221 4.870 1.00 0.00 C ATOM 517 C TYR A 118 58.827 -8.742 5.317 1.00 0.00 C ATOM 518 O TYR A 118 59.666 -9.101 4.492 1.00 0.00 O ATOM 519 CB TYR A 118 57.591 -6.761 4.439 1.00 0.00 C ATOM 520 CG TYR A 118 58.230 -6.566 3.087 1.00 0.00 C ATOM 521 CD1 TYR A 118 57.675 -7.122 1.943 1.00 0.00 C ATOM 522 CD2 TYR A 118 59.385 -5.812 2.957 1.00 0.00 C ATOM 523 CE1 TYR A 118 58.257 -6.929 0.705 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.973 -5.614 1.727 1.00 0.00 C ATOM 525 CZ TYR A 118 59.405 -6.173 0.602 1.00 0.00 C ATOM 526 OH TYR A 118 59.989 -5.978 -0.629 1.00 0.00 O ATOM 0 H TYR A 118 56.141 -7.423 6.283 1.00 0.00 H new ATOM 0 HA TYR A 118 57.124 -8.831 4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 118 56.599 -6.310 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.176 -6.224 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 118 56.775 -7.714 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 118 59.832 -5.372 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 118 57.815 -7.368 -0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 118 60.874 -5.024 1.644 1.00 0.00 H new ATOM 0 HH TYR A 118 60.601 -5.214 -0.583 1.00 0.00 H new ATOM 536 N SER A 119 59.036 -8.791 6.630 1.00 0.00 N ATOM 537 CA SER A 119 60.292 -9.281 7.180 1.00 0.00 C ATOM 538 C SER A 119 60.241 -10.793 7.372 1.00 0.00 C ATOM 539 O SER A 119 61.141 -11.519 6.949 1.00 0.00 O ATOM 540 CB SER A 119 60.597 -8.590 8.509 1.00 0.00 C ATOM 541 OG SER A 119 61.723 -9.173 9.141 1.00 0.00 O ATOM 0 H SER A 119 58.353 -8.498 7.329 1.00 0.00 H new ATOM 0 HA SER A 119 61.089 -9.049 6.473 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.781 -7.530 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.730 -8.660 9.166 1.00 0.00 H new ATOM 0 HG SER A 119 61.898 -8.712 9.988 1.00 0.00 H new ATOM 547 N SER A 120 59.183 -11.254 8.025 1.00 0.00 N ATOM 548 CA SER A 120 59.001 -12.677 8.295 1.00 0.00 C ATOM 549 C SER A 120 58.423 -13.422 7.089 1.00 0.00 C ATOM 550 O SER A 120 58.143 -14.618 7.173 1.00 0.00 O ATOM 551 CB SER A 120 58.089 -12.869 9.508 1.00 0.00 C ATOM 552 OG SER A 120 58.667 -12.310 10.674 1.00 0.00 O ATOM 0 H SER A 120 58.433 -10.661 8.380 1.00 0.00 H new ATOM 0 HA SER A 120 59.985 -13.097 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.123 -12.402 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.904 -13.932 9.664 1.00 0.00 H new ATOM 0 HG SER A 120 58.346 -11.391 10.790 1.00 0.00 H new ATOM 558 N ASN A 121 58.240 -12.721 5.970 1.00 0.00 N ATOM 559 CA ASN A 121 57.690 -13.345 4.768 1.00 0.00 C ATOM 560 C ASN A 121 58.787 -13.937 3.885 1.00 0.00 C ATOM 561 O ASN A 121 58.497 -14.517 2.838 1.00 0.00 O ATOM 562 CB ASN A 121 56.874 -12.331 3.961 1.00 0.00 C ATOM 563 CG ASN A 121 55.391 -12.382 4.285 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.062 -12.633 5.548 1.00 0.00 O flip ATOM 565 ND2 ASN A 121 54.548 -12.194 3.407 1.00 0.00 N flip ATOM 0 H ASN A 121 58.462 -11.730 5.871 1.00 0.00 H new ATOM 0 HA ASN A 121 57.040 -14.157 5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 121 57.251 -11.328 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 121 57.016 -12.521 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.843 -12.004 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 121 53.555 -12.228 3.638 1.00 0.00 H new ATOM 572 N SER A 122 60.046 -13.792 4.297 1.00 0.00 N ATOM 573 CA SER A 122 61.162 -14.321 3.520 1.00 0.00 C ATOM 574 C SER A 122 61.126 -13.791 2.089 1.00 0.00 C ATOM 575 O SER A 122 60.721 -14.495 1.164 1.00 0.00 O ATOM 576 CB SER A 122 61.125 -15.851 3.515 1.00 0.00 C ATOM 577 OG SER A 122 62.041 -16.385 4.455 1.00 0.00 O ATOM 0 H SER A 122 60.316 -13.316 5.158 1.00 0.00 H new ATOM 0 HA SER A 122 62.090 -13.990 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.117 -16.195 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 122 61.365 -16.221 2.518 1.00 0.00 H new ATOM 0 HG SER A 122 61.998 -17.364 4.434 1.00 0.00 H new ATOM 583 N LYS A 123 61.549 -12.543 1.917 1.00 0.00 N ATOM 584 CA LYS A 123 61.561 -11.914 0.599 1.00 0.00 C ATOM 585 C LYS A 123 62.516 -12.634 -0.346 1.00 0.00 C ATOM 586 O LYS A 123 62.173 -12.918 -1.493 1.00 0.00 O ATOM 587 CB LYS A 123 61.946 -10.433 0.705 1.00 0.00 C ATOM 588 CG LYS A 123 62.993 -10.137 1.768 1.00 0.00 C ATOM 589 CD LYS A 123 63.853 -8.943 1.388 1.00 0.00 C ATOM 590 CE LYS A 123 64.196 -8.098 2.604 1.00 0.00 C ATOM 591 NZ LYS A 123 65.349 -8.658 3.362 1.00 0.00 N ATOM 0 H LYS A 123 61.888 -11.947 2.672 1.00 0.00 H new ATOM 0 HA LYS A 123 60.553 -11.986 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 123 62.320 -10.096 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 123 61.050 -9.851 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 123 62.500 -9.943 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 123 63.627 -11.013 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 123 64.771 -9.290 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 123 63.326 -8.332 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 123 64.430 -7.082 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 123 63.327 -8.035 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.551 -8.053 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 65.117 -9.618 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 66.185 -8.695 2.745 1.00 0.00 H new ATOM 605 N LYS A 124 63.715 -12.923 0.142 1.00 0.00 N ATOM 606 CA LYS A 124 64.723 -13.607 -0.660 1.00 0.00 C ATOM 607 C LYS A 124 64.335 -15.062 -0.901 1.00 0.00 C ATOM 608 O LYS A 124 64.515 -15.540 -2.041 1.00 0.00 O ATOM 609 CB LYS A 124 66.085 -13.536 0.035 1.00 0.00 C ATOM 610 CG LYS A 124 67.204 -14.203 -0.748 1.00 0.00 C ATOM 611 CD LYS A 124 68.137 -14.982 0.166 1.00 0.00 C ATOM 612 CE LYS A 124 69.370 -14.169 0.527 1.00 0.00 C ATOM 613 NZ LYS A 124 70.349 -14.118 -0.593 1.00 0.00 N ATOM 614 OXT LYS A 124 63.855 -15.711 0.052 1.00 0.00 O ATOM 0 H LYS A 124 64.014 -12.695 1.090 1.00 0.00 H new ATOM 0 HA LYS A 124 64.787 -13.106 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 124 66.344 -12.491 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 124 66.008 -14.007 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 124 66.778 -14.875 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 124 67.772 -13.446 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 124 67.606 -15.263 1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 124 68.440 -15.907 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 124 69.071 -13.155 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 124 69.846 -14.603 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 71.211 -13.627 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 70.590 -15.086 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 69.932 -13.605 -1.396 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.195 -2.116 3.196 1.00 0.00 ZN