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 92 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 SER OG : rot 18:sc= 0.356 USER MOD Set 1.3: A 121 ASN :FLIP amide:sc= -0.155 F(o=-1.4,f=0.2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.372 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+ -171:sc= -0.206 (180deg=-0.362) USER MOD Single : A 111 SER OG : rot -75:sc= 1.14 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -42:sc= 0.0871 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 65.568 19.679 1.784 1.00 0.00 N ATOM 2 CA GLY A 82 64.296 20.069 1.115 1.00 0.00 C ATOM 3 C GLY A 82 63.342 18.901 0.958 1.00 0.00 C ATOM 4 O GLY A 82 62.937 18.568 -0.155 1.00 0.00 O ATOM 0 HA2 GLY A 82 63.811 20.855 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 82 64.519 20.487 0.133 1.00 0.00 H new ATOM 10 N SER A 83 62.984 18.277 2.077 1.00 0.00 N ATOM 11 CA SER A 83 62.073 17.136 2.061 1.00 0.00 C ATOM 12 C SER A 83 60.795 17.465 1.294 1.00 0.00 C ATOM 13 O SER A 83 60.570 16.954 0.196 1.00 0.00 O ATOM 14 CB SER A 83 61.728 16.712 3.490 1.00 0.00 C ATOM 15 OG SER A 83 62.579 15.669 3.932 1.00 0.00 O ATOM 0 H SER A 83 63.311 18.542 3.006 1.00 0.00 H new ATOM 0 HA SER A 83 62.575 16.312 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 83 61.819 17.568 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 83 60.690 16.382 3.534 1.00 0.00 H new ATOM 0 HG SER A 83 62.339 15.417 4.848 1.00 0.00 H new ATOM 21 N GLY A 84 59.962 18.320 1.877 1.00 0.00 N ATOM 22 CA GLY A 84 58.720 18.700 1.232 1.00 0.00 C ATOM 23 C GLY A 84 57.791 17.520 1.019 1.00 0.00 C ATOM 24 O GLY A 84 57.570 17.094 -0.115 1.00 0.00 O ATOM 0 H GLY A 84 60.125 18.756 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 84 58.214 19.451 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 84 58.941 19.163 0.270 1.00 0.00 H new ATOM 28 N SER A 85 57.243 16.994 2.111 1.00 0.00 N ATOM 29 CA SER A 85 56.328 15.857 2.044 1.00 0.00 C ATOM 30 C SER A 85 56.881 14.748 1.149 1.00 0.00 C ATOM 31 O SER A 85 56.267 14.382 0.147 1.00 0.00 O ATOM 32 CB SER A 85 54.960 16.310 1.528 1.00 0.00 C ATOM 33 OG SER A 85 54.116 16.703 2.597 1.00 0.00 O ATOM 0 H SER A 85 57.417 17.338 3.055 1.00 0.00 H new ATOM 0 HA SER A 85 56.220 15.456 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 85 55.086 17.142 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.492 15.499 0.970 1.00 0.00 H new ATOM 0 HG SER A 85 53.249 16.990 2.241 1.00 0.00 H new ATOM 39 N GLU A 86 58.045 14.222 1.513 1.00 0.00 N ATOM 40 CA GLU A 86 58.680 13.161 0.738 1.00 0.00 C ATOM 41 C GLU A 86 57.777 11.932 0.640 1.00 0.00 C ATOM 42 O GLU A 86 57.088 11.579 1.598 1.00 0.00 O ATOM 43 CB GLU A 86 60.019 12.774 1.368 1.00 0.00 C ATOM 44 CG GLU A 86 61.132 13.771 1.090 1.00 0.00 C ATOM 45 CD GLU A 86 62.089 13.291 0.017 1.00 0.00 C ATOM 46 OE1 GLU A 86 63.171 12.779 0.372 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.757 13.426 -1.180 1.00 0.00 O ATOM 0 H GLU A 86 58.568 14.512 2.339 1.00 0.00 H new ATOM 0 HA GLU A 86 58.853 13.539 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.890 12.678 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.318 11.795 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.695 14.722 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.687 13.957 2.010 1.00 0.00 H new ATOM 54 N PRO A 87 57.767 11.263 -0.528 1.00 0.00 N ATOM 55 CA PRO A 87 56.947 10.076 -0.755 1.00 0.00 C ATOM 56 C PRO A 87 57.634 8.789 -0.306 1.00 0.00 C ATOM 57 O PRO A 87 58.791 8.540 -0.642 1.00 0.00 O ATOM 58 CB PRO A 87 56.771 10.085 -2.269 1.00 0.00 C ATOM 59 CG PRO A 87 58.040 10.674 -2.790 1.00 0.00 C ATOM 60 CD PRO A 87 58.552 11.617 -1.726 1.00 0.00 C ATOM 0 HA PRO A 87 56.015 10.101 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.613 9.078 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.907 10.680 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.771 9.893 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.864 11.205 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.621 11.485 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.400 12.659 -2.009 1.00 0.00 H new ATOM 68 N ALA A 88 56.908 7.972 0.453 1.00 0.00 N ATOM 69 CA ALA A 88 57.440 6.707 0.947 1.00 0.00 C ATOM 70 C ALA A 88 56.652 5.528 0.384 1.00 0.00 C ATOM 71 O ALA A 88 55.516 5.280 0.788 1.00 0.00 O ATOM 72 CB ALA A 88 57.418 6.682 2.467 1.00 0.00 C ATOM 0 H ALA A 88 55.948 8.165 0.739 1.00 0.00 H new ATOM 0 HA ALA A 88 58.473 6.617 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.818 5.732 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.028 7.499 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.393 6.797 2.818 1.00 0.00 H new ATOM 78 N VAL A 89 57.260 4.808 -0.553 1.00 0.00 N ATOM 79 CA VAL A 89 56.613 3.659 -1.178 1.00 0.00 C ATOM 80 C VAL A 89 56.741 2.409 -0.313 1.00 0.00 C ATOM 81 O VAL A 89 57.844 2.018 0.070 1.00 0.00 O ATOM 82 CB VAL A 89 57.213 3.359 -2.567 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.305 2.421 -3.350 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.456 4.649 -3.340 1.00 0.00 C ATOM 0 H VAL A 89 58.201 5.000 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 89 55.560 3.919 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 89 58.174 2.864 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.745 2.221 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.192 1.484 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.328 2.885 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.879 4.414 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.512 5.178 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.151 5.280 -2.786 1.00 0.00 H new ATOM 94 N CYS A 90 55.608 1.779 -0.018 1.00 0.00 N ATOM 95 CA CYS A 90 55.597 0.566 0.790 1.00 0.00 C ATOM 96 C CYS A 90 56.127 -0.616 -0.017 1.00 0.00 C ATOM 97 O CYS A 90 55.606 -0.932 -1.085 1.00 0.00 O ATOM 98 CB CYS A 90 54.182 0.270 1.289 1.00 0.00 C ATOM 99 SG CYS A 90 54.090 -1.082 2.486 1.00 0.00 S ATOM 0 H CYS A 90 54.686 2.089 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 90 56.246 0.721 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.772 1.172 1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.550 0.028 0.435 1.00 0.00 H new ATOM 104 N GLU A 91 57.175 -1.255 0.488 1.00 0.00 N ATOM 105 CA GLU A 91 57.784 -2.389 -0.199 1.00 0.00 C ATOM 106 C GLU A 91 56.846 -3.594 -0.260 1.00 0.00 C ATOM 107 O GLU A 91 57.014 -4.473 -1.104 1.00 0.00 O ATOM 108 CB GLU A 91 59.082 -2.788 0.503 1.00 0.00 C ATOM 109 CG GLU A 91 60.161 -1.720 0.443 1.00 0.00 C ATOM 110 CD GLU A 91 60.781 -1.595 -0.935 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.624 -2.447 -1.286 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.423 -0.645 -1.663 1.00 0.00 O ATOM 0 H GLU A 91 57.622 -1.008 1.371 1.00 0.00 H new ATOM 0 HA GLU A 91 57.993 -2.076 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.865 -3.015 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.463 -3.703 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.734 -0.760 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.940 -1.955 1.168 1.00 0.00 H new ATOM 119 N MET A 92 55.873 -3.646 0.645 1.00 0.00 N ATOM 120 CA MET A 92 54.939 -4.767 0.683 1.00 0.00 C ATOM 121 C MET A 92 53.700 -4.513 -0.174 1.00 0.00 C ATOM 122 O MET A 92 53.395 -5.290 -1.079 1.00 0.00 O ATOM 123 CB MET A 92 54.520 -5.055 2.125 1.00 0.00 C ATOM 124 CG MET A 92 54.205 -6.520 2.383 1.00 0.00 C ATOM 125 SD MET A 92 52.499 -6.789 2.903 1.00 0.00 S ATOM 126 CE MET A 92 52.427 -8.578 2.900 1.00 0.00 C ATOM 0 H MET A 92 55.711 -2.932 1.356 1.00 0.00 H new ATOM 0 HA MET A 92 55.456 -5.633 0.270 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.318 -4.739 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.643 -4.455 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.398 -7.093 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 92 54.878 -6.902 3.151 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.562 -8.908 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 92 52.339 -8.937 1.875 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.336 -8.979 3.348 1.00 0.00 H new ATOM 136 N CYS A 93 52.976 -3.439 0.125 1.00 0.00 N ATOM 137 CA CYS A 93 51.758 -3.107 -0.608 1.00 0.00 C ATOM 138 C CYS A 93 52.052 -2.289 -1.863 1.00 0.00 C ATOM 139 O CYS A 93 51.355 -2.413 -2.870 1.00 0.00 O ATOM 140 CB CYS A 93 50.799 -2.328 0.297 1.00 0.00 C ATOM 141 SG CYS A 93 50.646 -2.998 1.971 1.00 0.00 S ATOM 0 H CYS A 93 53.211 -2.783 0.870 1.00 0.00 H new ATOM 0 HA CYS A 93 51.298 -4.045 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.138 -1.294 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.813 -2.312 -0.167 1.00 0.00 H new ATOM 146 N GLY A 94 53.078 -1.448 -1.797 1.00 0.00 N ATOM 147 CA GLY A 94 53.429 -0.619 -2.937 1.00 0.00 C ATOM 148 C GLY A 94 52.717 0.719 -2.920 1.00 0.00 C ATOM 149 O GLY A 94 52.660 1.411 -3.937 1.00 0.00 O ATOM 0 H GLY A 94 53.672 -1.325 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.506 -0.454 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.181 -1.148 -3.857 1.00 0.00 H new ATOM 153 N ILE A 95 52.182 1.091 -1.761 1.00 0.00 N ATOM 154 CA ILE A 95 51.484 2.360 -1.616 1.00 0.00 C ATOM 155 C ILE A 95 52.450 3.450 -1.184 1.00 0.00 C ATOM 156 O ILE A 95 53.256 3.255 -0.275 1.00 0.00 O ATOM 157 CB ILE A 95 50.337 2.263 -0.591 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.473 1.033 -0.876 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.493 3.528 -0.619 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.756 1.092 -2.207 1.00 0.00 C ATOM 0 H ILE A 95 52.220 0.530 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 95 51.059 2.609 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 95 50.767 2.159 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 95 50.102 0.143 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.736 0.925 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.687 3.444 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.117 4.387 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.069 3.661 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.163 0.187 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.100 1.962 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.488 1.169 -3.011 1.00 0.00 H new ATOM 172 N VAL A 96 52.379 4.591 -1.854 1.00 0.00 N ATOM 173 CA VAL A 96 53.262 5.706 -1.552 1.00 0.00 C ATOM 174 C VAL A 96 52.507 6.846 -0.876 1.00 0.00 C ATOM 175 O VAL A 96 51.408 7.211 -1.295 1.00 0.00 O ATOM 176 CB VAL A 96 53.936 6.232 -2.831 1.00 0.00 C ATOM 177 CG1 VAL A 96 55.136 7.094 -2.485 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.347 5.078 -3.736 1.00 0.00 C ATOM 0 H VAL A 96 51.718 4.768 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 96 54.025 5.336 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 96 53.215 6.847 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.600 7.457 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.813 7.942 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.859 6.503 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.822 5.472 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 96 55.049 4.433 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.465 4.502 -4.014 1.00 0.00 H new ATOM 188 N GLY A 97 53.106 7.409 0.170 1.00 0.00 N ATOM 189 CA GLY A 97 52.482 8.507 0.886 1.00 0.00 C ATOM 190 C GLY A 97 53.503 9.445 1.505 1.00 0.00 C ATOM 191 O GLY A 97 54.697 9.151 1.514 1.00 0.00 O ATOM 0 H GLY A 97 54.015 7.123 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.844 9.068 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.837 8.108 1.669 1.00 0.00 H new ATOM 195 N THR A 98 53.034 10.573 2.031 1.00 0.00 N ATOM 196 CA THR A 98 53.921 11.545 2.661 1.00 0.00 C ATOM 197 C THR A 98 54.421 11.023 4.004 1.00 0.00 C ATOM 198 O THR A 98 53.658 10.437 4.771 1.00 0.00 O ATOM 199 CB THR A 98 53.201 12.880 2.859 1.00 0.00 C ATOM 200 OG1 THR A 98 52.174 12.756 3.827 1.00 0.00 O ATOM 201 CG2 THR A 98 52.573 13.418 1.591 1.00 0.00 C ATOM 0 H THR A 98 52.048 10.836 2.033 1.00 0.00 H new ATOM 0 HA THR A 98 54.776 11.700 2.003 1.00 0.00 H new ATOM 0 HB THR A 98 53.972 13.577 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.726 13.620 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.079 14.366 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.347 13.572 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.840 12.703 1.216 1.00 0.00 H new ATOM 209 N ARG A 99 55.709 11.221 4.276 1.00 0.00 N ATOM 210 CA ARG A 99 56.324 10.757 5.519 1.00 0.00 C ATOM 211 C ARG A 99 55.445 11.029 6.742 1.00 0.00 C ATOM 212 O ARG A 99 55.349 10.193 7.640 1.00 0.00 O ATOM 213 CB ARG A 99 57.688 11.424 5.705 1.00 0.00 C ATOM 214 CG ARG A 99 58.844 10.609 5.150 1.00 0.00 C ATOM 215 CD ARG A 99 60.106 11.447 5.020 1.00 0.00 C ATOM 216 NE ARG A 99 60.567 11.946 6.314 1.00 0.00 N ATOM 217 CZ ARG A 99 61.807 12.371 6.545 1.00 0.00 C ATOM 218 NH1 ARG A 99 62.713 12.359 5.575 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.143 12.810 7.751 1.00 0.00 N ATOM 0 H ARG A 99 56.352 11.703 3.648 1.00 0.00 H new ATOM 0 HA ARG A 99 56.444 9.677 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.676 12.399 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.855 11.600 6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.037 9.758 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.571 10.207 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 99 60.893 10.849 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.916 12.288 4.354 1.00 0.00 H new ATOM 0 HE ARG A 99 59.900 11.970 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 99 62.461 12.023 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 99 63.661 12.686 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 99 61.451 12.822 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.093 13.136 7.929 1.00 0.00 H new ATOM 233 N GLU A 100 54.819 12.203 6.785 1.00 0.00 N ATOM 234 CA GLU A 100 53.968 12.574 7.915 1.00 0.00 C ATOM 235 C GLU A 100 52.670 11.762 7.956 1.00 0.00 C ATOM 236 O GLU A 100 51.843 11.954 8.846 1.00 0.00 O ATOM 237 CB GLU A 100 53.641 14.068 7.857 1.00 0.00 C ATOM 238 CG GLU A 100 53.121 14.526 6.504 1.00 0.00 C ATOM 239 CD GLU A 100 51.942 15.472 6.622 1.00 0.00 C ATOM 240 OE1 GLU A 100 50.803 15.036 6.354 1.00 0.00 O ATOM 241 OE2 GLU A 100 52.158 16.648 6.982 1.00 0.00 O ATOM 0 H GLU A 100 54.884 12.912 6.054 1.00 0.00 H new ATOM 0 HA GLU A 100 54.525 12.351 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 100 52.897 14.298 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 100 54.537 14.637 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 100 53.925 15.020 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 100 52.826 13.655 5.919 1.00 0.00 H new ATOM 248 N ALA A 101 52.494 10.856 6.998 1.00 0.00 N ATOM 249 CA ALA A 101 51.295 10.026 6.944 1.00 0.00 C ATOM 250 C ALA A 101 51.637 8.542 7.064 1.00 0.00 C ATOM 251 O ALA A 101 50.773 7.722 7.376 1.00 0.00 O ATOM 252 CB ALA A 101 50.532 10.290 5.654 1.00 0.00 C ATOM 0 H ALA A 101 53.165 10.678 6.250 1.00 0.00 H new ATOM 0 HA ALA A 101 50.664 10.292 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.639 9.665 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.242 11.340 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.168 10.054 4.801 1.00 0.00 H new ATOM 258 N PHE A 102 52.895 8.199 6.802 1.00 0.00 N ATOM 259 CA PHE A 102 53.337 6.810 6.868 1.00 0.00 C ATOM 260 C PHE A 102 53.917 6.465 8.239 1.00 0.00 C ATOM 261 O PHE A 102 54.325 7.344 8.997 1.00 0.00 O ATOM 262 CB PHE A 102 54.376 6.536 5.778 1.00 0.00 C ATOM 263 CG PHE A 102 53.823 5.777 4.607 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.347 4.545 4.253 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.776 6.295 3.862 1.00 0.00 C ATOM 266 CE1 PHE A 102 53.838 3.843 3.178 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.262 5.599 2.785 1.00 0.00 C ATOM 268 CZ PHE A 102 52.794 4.371 2.443 1.00 0.00 C ATOM 0 H PHE A 102 53.625 8.863 6.543 1.00 0.00 H new ATOM 0 HA PHE A 102 52.464 6.178 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.783 7.484 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.204 5.973 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.163 4.128 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.357 7.254 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.255 2.883 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.446 6.014 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.394 3.824 1.602 1.00 0.00 H new ATOM 278 N PHE A 103 53.936 5.169 8.543 1.00 0.00 N ATOM 279 CA PHE A 103 54.450 4.670 9.819 1.00 0.00 C ATOM 280 C PHE A 103 55.767 5.349 10.191 1.00 0.00 C ATOM 281 O PHE A 103 56.790 5.146 9.540 1.00 0.00 O ATOM 282 CB PHE A 103 54.650 3.154 9.732 1.00 0.00 C ATOM 283 CG PHE A 103 54.690 2.457 11.064 1.00 0.00 C ATOM 284 CD1 PHE A 103 53.851 2.843 12.099 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.567 1.404 11.276 1.00 0.00 C ATOM 286 CE1 PHE A 103 53.888 2.192 13.318 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.608 0.751 12.492 1.00 0.00 C ATOM 288 CZ PHE A 103 54.768 1.145 13.514 1.00 0.00 C ATOM 0 H PHE A 103 53.598 4.438 7.917 1.00 0.00 H new ATOM 0 HA PHE A 103 53.722 4.902 10.597 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.844 2.727 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.580 2.952 9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.161 3.661 11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.226 1.091 10.480 1.00 0.00 H new ATOM 0 HE1 PHE A 103 53.230 2.502 14.116 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.297 -0.067 12.643 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.799 0.635 14.466 1.00 0.00 H new ATOM 298 N SER A 104 55.726 6.164 11.241 1.00 0.00 N ATOM 299 CA SER A 104 56.909 6.885 11.702 1.00 0.00 C ATOM 300 C SER A 104 57.988 5.927 12.196 1.00 0.00 C ATOM 301 O SER A 104 59.181 6.215 12.090 1.00 0.00 O ATOM 302 CB SER A 104 56.532 7.860 12.819 1.00 0.00 C ATOM 303 OG SER A 104 55.652 8.864 12.345 1.00 0.00 O ATOM 0 H SER A 104 54.885 6.342 11.790 1.00 0.00 H new ATOM 0 HA SER A 104 57.310 7.441 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.060 7.316 13.637 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.433 8.323 13.222 1.00 0.00 H new ATOM 0 HG SER A 104 55.425 9.473 13.078 1.00 0.00 H new ATOM 309 N LYS A 105 57.567 4.789 12.740 1.00 0.00 N ATOM 310 CA LYS A 105 58.503 3.793 13.255 1.00 0.00 C ATOM 311 C LYS A 105 59.594 3.479 12.233 1.00 0.00 C ATOM 312 O LYS A 105 60.783 3.625 12.516 1.00 0.00 O ATOM 313 CB LYS A 105 57.761 2.510 13.632 1.00 0.00 C ATOM 314 CG LYS A 105 58.312 1.833 14.876 1.00 0.00 C ATOM 315 CD LYS A 105 58.106 2.689 16.115 1.00 0.00 C ATOM 316 CE LYS A 105 59.287 2.586 17.066 1.00 0.00 C ATOM 317 NZ LYS A 105 59.066 1.556 18.119 1.00 0.00 N ATOM 0 H LYS A 105 56.584 4.533 12.836 1.00 0.00 H new ATOM 0 HA LYS A 105 58.976 4.209 14.145 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.708 2.742 13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.811 1.812 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 105 57.823 0.869 15.013 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.375 1.635 14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 105 57.964 3.729 15.821 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.196 2.376 16.628 1.00 0.00 H new ATOM 0 HE2 LYS A 105 60.187 2.341 16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.460 3.554 17.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 59.895 1.518 18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 58.222 1.803 18.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.927 0.627 17.672 1.00 0.00 H new ATOM 331 N THR A 106 59.181 3.046 11.047 1.00 0.00 N ATOM 332 CA THR A 106 60.123 2.712 9.985 1.00 0.00 C ATOM 333 C THR A 106 59.987 3.677 8.812 1.00 0.00 C ATOM 334 O THR A 106 60.984 4.173 8.287 1.00 0.00 O ATOM 335 CB THR A 106 59.896 1.277 9.507 1.00 0.00 C ATOM 336 OG1 THR A 106 59.374 0.477 10.553 1.00 0.00 O ATOM 337 CG2 THR A 106 61.155 0.607 9.001 1.00 0.00 C ATOM 0 H THR A 106 58.200 2.918 10.797 1.00 0.00 H new ATOM 0 HA THR A 106 61.132 2.799 10.389 1.00 0.00 H new ATOM 0 HB THR A 106 59.190 1.357 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.234 -0.437 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.922 -0.408 8.678 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.555 1.173 8.160 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.895 0.573 9.800 1.00 0.00 H new ATOM 345 N LYS A 107 58.742 3.933 8.406 1.00 0.00 N ATOM 346 CA LYS A 107 58.446 4.838 7.290 1.00 0.00 C ATOM 347 C LYS A 107 58.517 4.111 5.948 1.00 0.00 C ATOM 348 O LYS A 107 57.867 4.513 4.984 1.00 0.00 O ATOM 349 CB LYS A 107 59.395 6.041 7.287 1.00 0.00 C ATOM 350 CG LYS A 107 58.733 7.337 6.848 1.00 0.00 C ATOM 351 CD LYS A 107 57.784 7.869 7.912 1.00 0.00 C ATOM 352 CE LYS A 107 58.414 9.001 8.708 1.00 0.00 C ATOM 353 NZ LYS A 107 59.771 8.642 9.206 1.00 0.00 N ATOM 0 H LYS A 107 57.914 3.522 8.837 1.00 0.00 H new ATOM 0 HA LYS A 107 57.427 5.199 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.804 6.173 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.235 5.829 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.498 8.084 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 107 58.185 7.170 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.867 8.222 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.504 7.061 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.481 9.891 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.772 9.252 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.103 9.373 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.730 7.725 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.429 8.576 8.403 1.00 0.00 H new ATOM 367 N ARG A 108 59.303 3.039 5.889 1.00 0.00 N ATOM 368 CA ARG A 108 59.442 2.265 4.662 1.00 0.00 C ATOM 369 C ARG A 108 58.153 1.510 4.355 1.00 0.00 C ATOM 370 O ARG A 108 57.796 1.316 3.193 1.00 0.00 O ATOM 371 CB ARG A 108 60.610 1.285 4.781 1.00 0.00 C ATOM 372 CG ARG A 108 61.971 1.941 4.619 1.00 0.00 C ATOM 373 CD ARG A 108 63.024 1.263 5.480 1.00 0.00 C ATOM 374 NE ARG A 108 63.089 1.838 6.821 1.00 0.00 N ATOM 375 CZ ARG A 108 64.131 1.700 7.638 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.197 1.008 7.255 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.108 2.256 8.842 1.00 0.00 N ATOM 0 H ARG A 108 59.851 2.689 6.675 1.00 0.00 H new ATOM 0 HA ARG A 108 59.644 2.955 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.565 0.795 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.499 0.506 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.274 1.899 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.902 2.995 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.802 0.198 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.998 1.353 4.999 1.00 0.00 H new ATOM 0 HE ARG A 108 62.289 2.377 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.221 0.578 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.992 0.906 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.292 2.789 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.906 2.150 9.468 1.00 0.00 H new ATOM 391 N PHE A 109 57.454 1.095 5.407 1.00 0.00 N ATOM 392 CA PHE A 109 56.197 0.371 5.255 1.00 0.00 C ATOM 393 C PHE A 109 55.051 1.156 5.884 1.00 0.00 C ATOM 394 O PHE A 109 55.200 1.738 6.958 1.00 0.00 O ATOM 395 CB PHE A 109 56.294 -1.015 5.893 1.00 0.00 C ATOM 396 CG PHE A 109 57.534 -1.768 5.510 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.693 -1.641 6.258 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.542 -2.606 4.405 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.837 -2.334 5.913 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.683 -3.302 4.055 1.00 0.00 C ATOM 401 CZ PHE A 109 59.832 -3.166 4.810 1.00 0.00 C ATOM 0 H PHE A 109 57.737 1.248 6.375 1.00 0.00 H new ATOM 0 HA PHE A 109 55.999 0.252 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.264 -0.909 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.420 -1.600 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.702 -0.992 7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 109 56.646 -2.716 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.734 -2.226 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 109 58.677 -3.952 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.725 -3.709 4.538 1.00 0.00 H new ATOM 411 N CYS A 110 53.914 1.179 5.201 1.00 0.00 N ATOM 412 CA CYS A 110 52.740 1.903 5.671 1.00 0.00 C ATOM 413 C CYS A 110 52.204 1.349 6.992 1.00 0.00 C ATOM 414 O CYS A 110 51.378 1.989 7.643 1.00 0.00 O ATOM 415 CB CYS A 110 51.646 1.842 4.605 1.00 0.00 C ATOM 416 SG CYS A 110 50.986 0.182 4.316 1.00 0.00 S ATOM 0 H CYS A 110 53.780 0.699 4.311 1.00 0.00 H new ATOM 0 HA CYS A 110 53.039 2.936 5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.829 2.500 4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.045 2.231 3.668 1.00 0.00 H new ATOM 421 N SER A 111 52.659 0.163 7.386 1.00 0.00 N ATOM 422 CA SER A 111 52.190 -0.444 8.629 1.00 0.00 C ATOM 423 C SER A 111 53.251 -1.339 9.255 1.00 0.00 C ATOM 424 O SER A 111 54.096 -1.902 8.559 1.00 0.00 O ATOM 425 CB SER A 111 50.924 -1.261 8.368 1.00 0.00 C ATOM 426 OG SER A 111 51.243 -2.595 8.000 1.00 0.00 O ATOM 0 H SER A 111 53.343 -0.391 6.871 1.00 0.00 H new ATOM 0 HA SER A 111 51.973 0.364 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.300 -1.266 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.341 -0.791 7.576 1.00 0.00 H new ATOM 0 HG SER A 111 51.567 -2.611 7.075 1.00 0.00 H new ATOM 432 N VAL A 112 53.184 -1.483 10.576 1.00 0.00 N ATOM 433 CA VAL A 112 54.123 -2.329 11.298 1.00 0.00 C ATOM 434 C VAL A 112 53.975 -3.776 10.845 1.00 0.00 C ATOM 435 O VAL A 112 54.951 -4.524 10.781 1.00 0.00 O ATOM 436 CB VAL A 112 53.908 -2.243 12.822 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.510 -2.714 13.195 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.965 -3.052 13.559 1.00 0.00 C ATOM 0 H VAL A 112 52.489 -1.024 11.165 1.00 0.00 H new ATOM 0 HA VAL A 112 55.129 -1.972 11.075 1.00 0.00 H new ATOM 0 HB VAL A 112 54.006 -1.200 13.123 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.379 -2.645 14.275 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.770 -2.086 12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.378 -3.749 12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.796 -2.979 14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.903 -4.096 13.253 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.954 -2.662 13.320 1.00 0.00 H new ATOM 448 N SER A 113 52.742 -4.156 10.513 1.00 0.00 N ATOM 449 CA SER A 113 52.461 -5.506 10.045 1.00 0.00 C ATOM 450 C SER A 113 53.244 -5.783 8.769 1.00 0.00 C ATOM 451 O SER A 113 53.755 -6.883 8.564 1.00 0.00 O ATOM 452 CB SER A 113 50.962 -5.684 9.792 1.00 0.00 C ATOM 453 OG SER A 113 50.622 -7.055 9.680 1.00 0.00 O ATOM 0 H SER A 113 51.925 -3.547 10.560 1.00 0.00 H new ATOM 0 HA SER A 113 52.768 -6.215 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.396 -5.231 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.680 -5.160 8.879 1.00 0.00 H new ATOM 0 HG SER A 113 49.659 -7.141 9.520 1.00 0.00 H new ATOM 459 N CYS A 114 53.348 -4.766 7.921 1.00 0.00 N ATOM 460 CA CYS A 114 54.088 -4.891 6.674 1.00 0.00 C ATOM 461 C CYS A 114 55.561 -5.172 6.962 1.00 0.00 C ATOM 462 O CYS A 114 56.269 -5.746 6.135 1.00 0.00 O ATOM 463 CB CYS A 114 53.954 -3.614 5.842 1.00 0.00 C ATOM 464 SG CYS A 114 52.343 -3.414 5.046 1.00 0.00 S ATOM 0 H CYS A 114 52.930 -3.849 8.075 1.00 0.00 H new ATOM 0 HA CYS A 114 53.671 -5.723 6.107 1.00 0.00 H new ATOM 0 HB2 CYS A 114 54.138 -2.754 6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.729 -3.610 5.075 1.00 0.00 H new ATOM 469 N SER A 115 56.014 -4.762 8.146 1.00 0.00 N ATOM 470 CA SER A 115 57.399 -4.967 8.553 1.00 0.00 C ATOM 471 C SER A 115 57.614 -6.394 9.048 1.00 0.00 C ATOM 472 O SER A 115 58.531 -7.088 8.599 1.00 0.00 O ATOM 473 CB SER A 115 57.780 -3.970 9.651 1.00 0.00 C ATOM 474 OG SER A 115 59.096 -3.479 9.460 1.00 0.00 O ATOM 0 H SER A 115 55.439 -4.285 8.840 1.00 0.00 H new ATOM 0 HA SER A 115 58.037 -4.803 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.075 -3.139 9.652 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.706 -4.452 10.626 1.00 0.00 H new ATOM 0 HG SER A 115 59.315 -2.843 10.173 1.00 0.00 H new ATOM 480 N ARG A 116 56.752 -6.840 9.958 1.00 0.00 N ATOM 481 CA ARG A 116 56.846 -8.193 10.491 1.00 0.00 C ATOM 482 C ARG A 116 56.452 -9.212 9.427 1.00 0.00 C ATOM 483 O ARG A 116 56.805 -10.387 9.518 1.00 0.00 O ATOM 484 CB ARG A 116 55.958 -8.350 11.728 1.00 0.00 C ATOM 485 CG ARG A 116 54.541 -7.835 11.533 1.00 0.00 C ATOM 486 CD ARG A 116 53.512 -8.938 11.728 1.00 0.00 C ATOM 487 NE ARG A 116 52.321 -8.460 12.426 1.00 0.00 N ATOM 488 CZ ARG A 116 51.150 -9.093 12.415 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.008 -10.230 11.745 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.118 -8.587 13.076 1.00 0.00 N ATOM 0 H ARG A 116 55.985 -6.286 10.339 1.00 0.00 H new ATOM 0 HA ARG A 116 57.880 -8.374 10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.917 -9.404 12.004 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.416 -7.820 12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.347 -7.027 12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.440 -7.416 10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.225 -9.342 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.960 -9.755 12.293 1.00 0.00 H new ATOM 0 HE ARG A 116 52.391 -7.590 12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.799 -10.623 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 116 50.108 -10.710 11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.222 -7.713 13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 116 49.220 -9.071 13.068 1.00 0.00 H new ATOM 504 N SER A 117 55.735 -8.747 8.407 1.00 0.00 N ATOM 505 CA SER A 117 55.315 -9.610 7.315 1.00 0.00 C ATOM 506 C SER A 117 56.460 -9.786 6.327 1.00 0.00 C ATOM 507 O SER A 117 56.827 -10.906 5.976 1.00 0.00 O ATOM 508 CB SER A 117 54.093 -9.021 6.606 1.00 0.00 C ATOM 509 OG SER A 117 53.515 -9.963 5.720 1.00 0.00 O ATOM 0 H SER A 117 55.434 -7.776 8.317 1.00 0.00 H new ATOM 0 HA SER A 117 55.041 -10.583 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.354 -8.711 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.385 -8.128 6.053 1.00 0.00 H new ATOM 0 HG SER A 117 53.824 -10.863 5.953 1.00 0.00 H new ATOM 515 N TYR A 118 57.035 -8.667 5.898 1.00 0.00 N ATOM 516 CA TYR A 118 58.156 -8.679 4.966 1.00 0.00 C ATOM 517 C TYR A 118 59.370 -9.359 5.593 1.00 0.00 C ATOM 518 O TYR A 118 60.220 -9.910 4.894 1.00 0.00 O ATOM 519 CB TYR A 118 58.512 -7.238 4.587 1.00 0.00 C ATOM 520 CG TYR A 118 59.091 -7.079 3.200 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.276 -7.706 2.841 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.453 -6.289 2.253 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.809 -7.551 1.575 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.977 -6.129 0.986 1.00 0.00 C ATOM 525 CZ TYR A 118 60.155 -6.762 0.651 1.00 0.00 C ATOM 526 OH TYR A 118 60.682 -6.604 -0.610 1.00 0.00 O ATOM 0 H TYR A 118 56.740 -7.734 6.184 1.00 0.00 H new ATOM 0 HA TYR A 118 57.869 -9.238 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.615 -6.623 4.665 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.228 -6.851 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.790 -8.325 3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.530 -5.791 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.732 -8.045 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.467 -5.512 0.261 1.00 0.00 H new ATOM 0 HH TYR A 118 60.099 -6.019 -1.137 1.00 0.00 H new ATOM 536 N SER A 119 59.433 -9.327 6.920 1.00 0.00 N ATOM 537 CA SER A 119 60.534 -9.949 7.646 1.00 0.00 C ATOM 538 C SER A 119 60.241 -11.415 7.955 1.00 0.00 C ATOM 539 O SER A 119 61.111 -12.275 7.822 1.00 0.00 O ATOM 540 CB SER A 119 60.813 -9.184 8.939 1.00 0.00 C ATOM 541 OG SER A 119 61.608 -9.952 9.827 1.00 0.00 O ATOM 0 H SER A 119 58.736 -8.878 7.514 1.00 0.00 H new ATOM 0 HA SER A 119 61.418 -9.911 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.321 -8.248 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.871 -8.925 9.422 1.00 0.00 H new ATOM 0 HG SER A 119 61.773 -9.439 10.645 1.00 0.00 H new ATOM 547 N SER A 120 59.015 -11.685 8.388 1.00 0.00 N ATOM 548 CA SER A 120 58.606 -13.042 8.743 1.00 0.00 C ATOM 549 C SER A 120 58.077 -13.824 7.541 1.00 0.00 C ATOM 550 O SER A 120 57.696 -14.987 7.678 1.00 0.00 O ATOM 551 CB SER A 120 57.539 -12.998 9.838 1.00 0.00 C ATOM 552 OG SER A 120 57.486 -14.223 10.548 1.00 0.00 O ATOM 0 H SER A 120 58.285 -10.982 8.502 1.00 0.00 H new ATOM 0 HA SER A 120 59.493 -13.560 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.756 -12.183 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.566 -12.789 9.394 1.00 0.00 H new ATOM 0 HG SER A 120 57.562 -14.970 9.918 1.00 0.00 H new ATOM 558 N ASN A 121 58.047 -13.199 6.367 1.00 0.00 N ATOM 559 CA ASN A 121 57.553 -13.876 5.171 1.00 0.00 C ATOM 560 C ASN A 121 58.409 -13.572 3.940 1.00 0.00 C ATOM 561 O ASN A 121 58.101 -14.034 2.842 1.00 0.00 O ATOM 562 CB ASN A 121 56.099 -13.487 4.898 1.00 0.00 C ATOM 563 CG ASN A 121 55.198 -13.737 6.091 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.588 -12.676 6.606 1.00 0.00 O flip ATOM 565 ND2 ASN A 121 55.050 -14.872 6.544 1.00 0.00 N flip ATOM 0 H ASN A 121 58.354 -12.238 6.218 1.00 0.00 H new ATOM 0 HA ASN A 121 57.615 -14.947 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.053 -12.432 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.729 -14.052 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 121 55.538 -15.659 6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.439 -15.025 7.346 1.00 0.00 H new ATOM 572 N SER A 122 59.477 -12.797 4.114 1.00 0.00 N ATOM 573 CA SER A 122 60.343 -12.455 2.991 1.00 0.00 C ATOM 574 C SER A 122 61.761 -12.120 3.447 1.00 0.00 C ATOM 575 O SER A 122 62.036 -12.003 4.641 1.00 0.00 O ATOM 576 CB SER A 122 59.753 -11.278 2.210 1.00 0.00 C ATOM 577 OG SER A 122 59.683 -11.571 0.825 1.00 0.00 O ATOM 0 H SER A 122 59.760 -12.399 5.009 1.00 0.00 H new ATOM 0 HA SER A 122 60.401 -13.330 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.756 -11.049 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 122 60.365 -10.390 2.367 1.00 0.00 H new ATOM 0 HG SER A 122 59.301 -10.805 0.347 1.00 0.00 H new ATOM 583 N LYS A 123 62.652 -11.969 2.472 1.00 0.00 N ATOM 584 CA LYS A 123 64.049 -11.647 2.745 1.00 0.00 C ATOM 585 C LYS A 123 64.800 -11.332 1.454 1.00 0.00 C ATOM 586 O LYS A 123 64.431 -11.805 0.379 1.00 0.00 O ATOM 587 CB LYS A 123 64.729 -12.809 3.473 1.00 0.00 C ATOM 588 CG LYS A 123 64.897 -14.051 2.613 1.00 0.00 C ATOM 589 CD LYS A 123 65.179 -15.283 3.457 1.00 0.00 C ATOM 590 CE LYS A 123 66.075 -16.267 2.722 1.00 0.00 C ATOM 591 NZ LYS A 123 65.298 -17.148 1.807 1.00 0.00 N ATOM 0 H LYS A 123 62.430 -12.065 1.481 1.00 0.00 H new ATOM 0 HA LYS A 123 64.073 -10.763 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 123 65.709 -12.484 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 123 64.144 -13.065 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 123 63.994 -14.212 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 123 65.714 -13.898 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 123 65.654 -14.984 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 123 64.239 -15.770 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 123 66.824 -15.719 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 123 66.613 -16.879 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.945 -17.804 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 64.601 -17.690 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 64.805 -16.566 1.100 1.00 0.00 H new ATOM 605 N LYS A 124 65.856 -10.534 1.569 1.00 0.00 N ATOM 606 CA LYS A 124 66.661 -10.160 0.412 1.00 0.00 C ATOM 607 C LYS A 124 67.505 -11.337 -0.066 1.00 0.00 C ATOM 608 O LYS A 124 67.495 -11.615 -1.284 1.00 0.00 O ATOM 609 CB LYS A 124 67.567 -8.976 0.756 1.00 0.00 C ATOM 610 CG LYS A 124 66.806 -7.706 1.102 1.00 0.00 C ATOM 611 CD LYS A 124 67.487 -6.936 2.221 1.00 0.00 C ATOM 612 CE LYS A 124 66.781 -5.618 2.501 1.00 0.00 C ATOM 613 NZ LYS A 124 67.317 -4.512 1.661 1.00 0.00 N ATOM 614 OXT LYS A 124 68.169 -11.970 0.780 1.00 0.00 O ATOM 0 H LYS A 124 66.174 -10.134 2.452 1.00 0.00 H new ATOM 0 HA LYS A 124 65.984 -9.870 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 124 68.203 -9.249 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 124 68.226 -8.776 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 124 66.730 -7.074 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 124 65.789 -7.960 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 124 67.499 -7.543 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 124 68.526 -6.744 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 124 65.713 -5.731 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 124 66.895 -5.362 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 66.810 -3.631 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 68.331 -4.387 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 67.186 -4.744 0.656 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.022 -1.738 3.400 1.00 0.00 ZN