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 111 SER OG : rot -76:sc= 1.64 USER MOD Set 1.2: A 113 SER OG : rot -44:sc= 1.02 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.734 USER MOD Single : A 92 MET CE :methyl 152:sc= -0.253 (180deg=-0.598) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.473 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+ -172:sc= 0 (180deg=-0.0388) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 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 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.0942 K(o=-0.094,f=-0.71) 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+ -157:sc= -0.0241 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 63.720 15.048 3.276 1.00 0.00 N ATOM 2 CA GLY A 82 62.884 15.070 4.507 1.00 0.00 C ATOM 3 C GLY A 82 62.551 16.479 4.954 1.00 0.00 C ATOM 4 O GLY A 82 63.046 16.943 5.981 1.00 0.00 O ATOM 0 HA2 GLY A 82 61.960 14.521 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 82 63.410 14.552 5.309 1.00 0.00 H new ATOM 10 N SER A 83 61.713 17.164 4.182 1.00 0.00 N ATOM 11 CA SER A 83 61.325 18.530 4.511 1.00 0.00 C ATOM 12 C SER A 83 59.826 18.748 4.306 1.00 0.00 C ATOM 13 O SER A 83 59.046 18.671 5.255 1.00 0.00 O ATOM 14 CB SER A 83 62.126 19.527 3.668 1.00 0.00 C ATOM 15 OG SER A 83 63.101 20.191 4.453 1.00 0.00 O ATOM 0 H SER A 83 61.292 16.797 3.329 1.00 0.00 H new ATOM 0 HA SER A 83 61.547 18.696 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 83 62.612 19.004 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 83 61.450 20.259 3.226 1.00 0.00 H new ATOM 0 HG SER A 83 63.600 20.821 3.891 1.00 0.00 H new ATOM 21 N GLY A 84 59.429 19.025 3.067 1.00 0.00 N ATOM 22 CA GLY A 84 58.026 19.255 2.772 1.00 0.00 C ATOM 23 C GLY A 84 57.165 18.040 3.054 1.00 0.00 C ATOM 24 O GLY A 84 56.379 18.033 4.001 1.00 0.00 O ATOM 0 H GLY A 84 60.053 19.094 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 84 57.667 20.096 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 84 57.920 19.536 1.724 1.00 0.00 H new ATOM 28 N SER A 85 57.313 17.010 2.229 1.00 0.00 N ATOM 29 CA SER A 85 56.545 15.783 2.391 1.00 0.00 C ATOM 30 C SER A 85 57.121 14.669 1.522 1.00 0.00 C ATOM 31 O SER A 85 56.508 14.250 0.539 1.00 0.00 O ATOM 32 CB SER A 85 55.073 16.026 2.042 1.00 0.00 C ATOM 33 OG SER A 85 54.229 15.697 3.132 1.00 0.00 O ATOM 0 H SER A 85 57.959 17.001 1.440 1.00 0.00 H new ATOM 0 HA SER A 85 56.609 15.472 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.929 17.071 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.799 15.429 1.173 1.00 0.00 H new ATOM 0 HG SER A 85 53.295 15.863 2.884 1.00 0.00 H new ATOM 39 N GLU A 86 58.307 14.195 1.889 1.00 0.00 N ATOM 40 CA GLU A 86 58.974 13.132 1.145 1.00 0.00 C ATOM 41 C GLU A 86 58.064 11.914 0.996 1.00 0.00 C ATOM 42 O GLU A 86 57.335 11.559 1.922 1.00 0.00 O ATOM 43 CB GLU A 86 60.273 12.735 1.847 1.00 0.00 C ATOM 44 CG GLU A 86 61.229 13.898 2.059 1.00 0.00 C ATOM 45 CD GLU A 86 61.660 14.542 0.755 1.00 0.00 C ATOM 46 OE1 GLU A 86 60.810 15.179 0.099 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.847 14.409 0.391 1.00 0.00 O ATOM 0 H GLU A 86 58.827 14.531 2.699 1.00 0.00 H new ATOM 0 HA GLU A 86 59.206 13.507 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.033 12.292 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.774 11.966 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.750 14.647 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 86 62.110 13.546 2.595 1.00 0.00 H new ATOM 54 N PRO A 87 58.089 11.259 -0.179 1.00 0.00 N ATOM 55 CA PRO A 87 57.259 10.087 -0.445 1.00 0.00 C ATOM 56 C PRO A 87 57.893 8.789 0.050 1.00 0.00 C ATOM 57 O PRO A 87 59.067 8.522 -0.204 1.00 0.00 O ATOM 58 CB PRO A 87 57.167 10.087 -1.967 1.00 0.00 C ATOM 59 CG PRO A 87 58.473 10.648 -2.418 1.00 0.00 C ATOM 60 CD PRO A 87 58.920 11.615 -1.347 1.00 0.00 C ATOM 0 HA PRO A 87 56.298 10.137 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.012 9.081 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 87 56.332 10.695 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 87 59.208 9.855 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 87 58.367 11.154 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.983 11.507 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.760 12.650 -1.651 1.00 0.00 H new ATOM 68 N ALA A 88 57.102 7.985 0.752 1.00 0.00 N ATOM 69 CA ALA A 88 57.571 6.710 1.279 1.00 0.00 C ATOM 70 C ALA A 88 56.755 5.559 0.697 1.00 0.00 C ATOM 71 O ALA A 88 55.622 5.317 1.112 1.00 0.00 O ATOM 72 CB ALA A 88 57.494 6.709 2.800 1.00 0.00 C ATOM 0 H ALA A 88 56.128 8.196 0.970 1.00 0.00 H new ATOM 0 HA ALA A 88 58.612 6.572 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.847 5.751 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.118 7.510 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.461 6.866 3.112 1.00 0.00 H new ATOM 78 N VAL A 89 57.333 4.865 -0.278 1.00 0.00 N ATOM 79 CA VAL A 89 56.654 3.751 -0.934 1.00 0.00 C ATOM 80 C VAL A 89 56.708 2.480 -0.092 1.00 0.00 C ATOM 81 O VAL A 89 57.741 2.151 0.491 1.00 0.00 O ATOM 82 CB VAL A 89 57.271 3.452 -2.315 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.380 2.506 -3.108 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.519 4.743 -3.084 1.00 0.00 C ATOM 0 H VAL A 89 58.271 5.054 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 89 55.615 4.056 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 89 58.232 2.961 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.833 2.308 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.267 1.569 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.401 2.963 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.955 4.510 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.575 5.269 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.205 5.376 -2.521 1.00 0.00 H new ATOM 94 N CYS A 90 55.588 1.765 -0.044 1.00 0.00 N ATOM 95 CA CYS A 90 55.503 0.522 0.713 1.00 0.00 C ATOM 96 C CYS A 90 56.025 -0.647 -0.117 1.00 0.00 C ATOM 97 O CYS A 90 55.513 -0.928 -1.200 1.00 0.00 O ATOM 98 CB CYS A 90 54.059 0.257 1.142 1.00 0.00 C ATOM 99 SG CYS A 90 53.876 -1.114 2.307 1.00 0.00 S ATOM 0 H CYS A 90 54.725 2.026 -0.522 1.00 0.00 H new ATOM 0 HA CYS A 90 56.122 0.621 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.654 1.162 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.460 0.049 0.255 1.00 0.00 H new ATOM 104 N GLU A 91 57.055 -1.316 0.387 1.00 0.00 N ATOM 105 CA GLU A 91 57.654 -2.445 -0.317 1.00 0.00 C ATOM 106 C GLU A 91 56.720 -3.652 -0.353 1.00 0.00 C ATOM 107 O GLU A 91 56.886 -4.545 -1.184 1.00 0.00 O ATOM 108 CB GLU A 91 58.973 -2.839 0.348 1.00 0.00 C ATOM 109 CG GLU A 91 60.083 -1.821 0.150 1.00 0.00 C ATOM 110 CD GLU A 91 60.602 -1.795 -1.275 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.087 -2.843 -1.749 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.523 -0.726 -1.916 1.00 0.00 O ATOM 0 H GLU A 91 57.494 -1.097 1.281 1.00 0.00 H new ATOM 0 HA GLU A 91 57.837 -2.129 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.805 -2.977 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.298 -3.800 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.715 -0.830 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.905 -2.049 0.828 1.00 0.00 H new ATOM 119 N MET A 92 55.752 -3.690 0.557 1.00 0.00 N ATOM 120 CA MET A 92 54.820 -4.811 0.620 1.00 0.00 C ATOM 121 C MET A 92 53.592 -4.587 -0.259 1.00 0.00 C ATOM 122 O MET A 92 53.296 -5.394 -1.140 1.00 0.00 O ATOM 123 CB MET A 92 54.381 -5.053 2.065 1.00 0.00 C ATOM 124 CG MET A 92 53.955 -6.487 2.334 1.00 0.00 C ATOM 125 SD MET A 92 52.173 -6.655 2.557 1.00 0.00 S ATOM 126 CE MET A 92 52.113 -7.670 4.031 1.00 0.00 C ATOM 0 H MET A 92 55.593 -2.964 1.256 1.00 0.00 H new ATOM 0 HA MET A 92 55.345 -5.688 0.242 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.201 -4.794 2.734 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.553 -4.385 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.274 -7.118 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 92 54.464 -6.852 3.226 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.191 -7.467 4.575 1.00 0.00 H new ATOM 0 HE2 MET A 92 52.144 -8.723 3.749 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.968 -7.439 4.667 1.00 0.00 H new ATOM 136 N CYS A 93 52.864 -3.505 -0.001 1.00 0.00 N ATOM 137 CA CYS A 93 51.653 -3.198 -0.754 1.00 0.00 C ATOM 138 C CYS A 93 51.940 -2.310 -1.962 1.00 0.00 C ATOM 139 O CYS A 93 51.233 -2.377 -2.967 1.00 0.00 O ATOM 140 CB CYS A 93 50.635 -2.505 0.156 1.00 0.00 C ATOM 141 SG CYS A 93 50.525 -3.202 1.823 1.00 0.00 S ATOM 0 H CYS A 93 53.092 -2.825 0.725 1.00 0.00 H new ATOM 0 HA CYS A 93 51.248 -4.142 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 93 50.895 -1.449 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.652 -2.558 -0.312 1.00 0.00 H new ATOM 146 N GLY A 94 52.969 -1.475 -1.862 1.00 0.00 N ATOM 147 CA GLY A 94 53.307 -0.588 -2.961 1.00 0.00 C ATOM 148 C GLY A 94 52.780 0.821 -2.756 1.00 0.00 C ATOM 149 O GLY A 94 53.259 1.765 -3.385 1.00 0.00 O ATOM 0 H GLY A 94 53.573 -1.396 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.390 -0.554 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 94 52.901 -0.993 -3.888 1.00 0.00 H new ATOM 153 N ILE A 95 51.791 0.965 -1.877 1.00 0.00 N ATOM 154 CA ILE A 95 51.197 2.269 -1.595 1.00 0.00 C ATOM 155 C ILE A 95 52.255 3.287 -1.189 1.00 0.00 C ATOM 156 O ILE A 95 53.126 2.998 -0.370 1.00 0.00 O ATOM 157 CB ILE A 95 50.150 2.185 -0.465 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.179 1.028 -0.707 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.395 3.501 -0.345 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.011 0.122 0.493 1.00 0.00 C ATOM 0 H ILE A 95 51.384 0.194 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 95 50.713 2.589 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 95 50.672 1.997 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 95 48.206 1.433 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.533 0.437 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.660 3.427 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.097 4.304 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.887 3.716 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.309 -0.676 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 95 49.975 -0.311 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 95 48.628 0.700 1.334 1.00 0.00 H new ATOM 172 N VAL A 96 52.172 4.483 -1.763 1.00 0.00 N ATOM 173 CA VAL A 96 53.116 5.546 -1.453 1.00 0.00 C ATOM 174 C VAL A 96 52.407 6.708 -0.766 1.00 0.00 C ATOM 175 O VAL A 96 51.280 7.054 -1.120 1.00 0.00 O ATOM 176 CB VAL A 96 53.816 6.064 -2.723 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.984 6.965 -2.356 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.278 4.903 -3.591 1.00 0.00 C ATOM 0 H VAL A 96 51.459 4.739 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 96 53.867 5.127 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 96 53.100 6.652 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.468 7.322 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.620 7.816 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.703 6.404 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.770 5.289 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.978 4.285 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.417 4.302 -3.883 1.00 0.00 H new ATOM 188 N GLY A 97 53.072 7.313 0.212 1.00 0.00 N ATOM 189 CA GLY A 97 52.489 8.435 0.923 1.00 0.00 C ATOM 190 C GLY A 97 53.545 9.394 1.432 1.00 0.00 C ATOM 191 O GLY A 97 54.726 9.233 1.137 1.00 0.00 O ATOM 0 H GLY A 97 54.005 7.046 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.804 8.967 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.900 8.066 1.762 1.00 0.00 H new ATOM 195 N THR A 98 53.127 10.382 2.211 1.00 0.00 N ATOM 196 CA THR A 98 54.061 11.353 2.771 1.00 0.00 C ATOM 197 C THR A 98 54.576 10.865 4.121 1.00 0.00 C ATOM 198 O THR A 98 53.837 10.252 4.888 1.00 0.00 O ATOM 199 CB THR A 98 53.390 12.719 2.926 1.00 0.00 C ATOM 200 OG1 THR A 98 52.440 12.696 3.977 1.00 0.00 O ATOM 201 CG2 THR A 98 52.679 13.182 1.673 1.00 0.00 C ATOM 0 H THR A 98 52.152 10.533 2.470 1.00 0.00 H new ATOM 0 HA THR A 98 54.903 11.458 2.086 1.00 0.00 H new ATOM 0 HB THR A 98 54.200 13.415 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.024 13.579 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.225 14.157 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.396 13.259 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.903 12.464 1.408 1.00 0.00 H new ATOM 209 N ARG A 99 55.852 11.120 4.397 1.00 0.00 N ATOM 210 CA ARG A 99 56.476 10.688 5.648 1.00 0.00 C ATOM 211 C ARG A 99 55.582 10.940 6.864 1.00 0.00 C ATOM 212 O ARG A 99 55.485 10.093 7.752 1.00 0.00 O ATOM 213 CB ARG A 99 57.821 11.394 5.838 1.00 0.00 C ATOM 214 CG ARG A 99 57.817 12.851 5.401 1.00 0.00 C ATOM 215 CD ARG A 99 58.266 13.771 6.524 1.00 0.00 C ATOM 216 NE ARG A 99 59.713 13.726 6.724 1.00 0.00 N ATOM 217 CZ ARG A 99 60.338 14.311 7.743 1.00 0.00 C ATOM 218 NH1 ARG A 99 59.649 14.990 8.652 1.00 0.00 N ATOM 219 NH2 ARG A 99 61.656 14.219 7.852 1.00 0.00 N ATOM 0 H ARG A 99 56.478 11.625 3.770 1.00 0.00 H new ATOM 0 HA ARG A 99 56.630 9.612 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.103 11.341 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.585 10.858 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 99 58.476 12.976 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.815 13.132 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 99 57.963 14.793 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 99 57.763 13.487 7.448 1.00 0.00 H new ATOM 0 HE ARG A 99 60.277 13.217 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 99 58.635 15.066 8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 99 60.134 15.436 9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 99 62.190 13.700 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 99 62.136 14.667 8.633 1.00 0.00 H new ATOM 233 N GLU A 100 54.941 12.105 6.912 1.00 0.00 N ATOM 234 CA GLU A 100 54.072 12.452 8.036 1.00 0.00 C ATOM 235 C GLU A 100 52.764 11.654 8.021 1.00 0.00 C ATOM 236 O GLU A 100 51.934 11.799 8.918 1.00 0.00 O ATOM 237 CB GLU A 100 53.763 13.950 8.017 1.00 0.00 C ATOM 238 CG GLU A 100 53.243 14.447 6.678 1.00 0.00 C ATOM 239 CD GLU A 100 51.833 14.998 6.766 1.00 0.00 C ATOM 240 OE1 GLU A 100 50.882 14.244 6.473 1.00 0.00 O ATOM 241 OE2 GLU A 100 51.681 16.183 7.129 1.00 0.00 O ATOM 0 H GLU A 100 55.006 12.823 6.190 1.00 0.00 H new ATOM 0 HA GLU A 100 54.606 12.196 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.025 14.170 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 100 54.667 14.502 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 100 53.909 15.223 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 100 53.265 13.629 5.958 1.00 0.00 H new ATOM 248 N ALA A 101 52.584 10.814 7.006 1.00 0.00 N ATOM 249 CA ALA A 101 51.378 10.003 6.891 1.00 0.00 C ATOM 250 C ALA A 101 51.694 8.516 7.029 1.00 0.00 C ATOM 251 O ALA A 101 50.850 7.730 7.459 1.00 0.00 O ATOM 252 CB ALA A 101 50.685 10.275 5.564 1.00 0.00 C ATOM 0 H ALA A 101 53.258 10.678 6.252 1.00 0.00 H new ATOM 0 HA ALA A 101 50.708 10.280 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.786 9.663 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.412 11.329 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.359 10.028 4.744 1.00 0.00 H new ATOM 258 N PHE A 102 52.912 8.134 6.655 1.00 0.00 N ATOM 259 CA PHE A 102 53.333 6.740 6.731 1.00 0.00 C ATOM 260 C PHE A 102 53.913 6.406 8.103 1.00 0.00 C ATOM 261 O PHE A 102 54.314 7.295 8.854 1.00 0.00 O ATOM 262 CB PHE A 102 54.365 6.441 5.641 1.00 0.00 C ATOM 263 CG PHE A 102 53.821 5.606 4.519 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.804 6.089 3.712 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.325 4.340 4.271 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.300 5.326 2.678 1.00 0.00 C ATOM 267 CE2 PHE A 102 53.825 3.571 3.238 1.00 0.00 C ATOM 268 CZ PHE A 102 52.811 4.065 2.440 1.00 0.00 C ATOM 0 H PHE A 102 53.624 8.771 6.297 1.00 0.00 H new ATOM 0 HA PHE A 102 52.452 6.117 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.738 7.382 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.216 5.926 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.401 7.074 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.118 3.950 4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.507 5.714 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.226 2.585 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.419 3.466 1.631 1.00 0.00 H new ATOM 278 N PHE A 103 53.949 5.113 8.418 1.00 0.00 N ATOM 279 CA PHE A 103 54.474 4.637 9.697 1.00 0.00 C ATOM 280 C PHE A 103 55.787 5.333 10.053 1.00 0.00 C ATOM 281 O PHE A 103 56.814 5.110 9.414 1.00 0.00 O ATOM 282 CB PHE A 103 54.683 3.121 9.641 1.00 0.00 C ATOM 283 CG PHE A 103 54.626 2.449 10.984 1.00 0.00 C ATOM 284 CD1 PHE A 103 53.656 2.797 11.911 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.542 1.464 11.316 1.00 0.00 C ATOM 286 CE1 PHE A 103 53.602 2.175 13.144 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.494 0.840 12.548 1.00 0.00 C ATOM 288 CZ PHE A 103 54.523 1.196 13.463 1.00 0.00 C ATOM 0 H PHE A 103 53.619 4.371 7.801 1.00 0.00 H new ATOM 0 HA PHE A 103 53.746 4.876 10.472 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.923 2.683 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.650 2.914 9.183 1.00 0.00 H new ATOM 0 HD1 PHE A 103 52.934 3.563 11.667 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.303 1.181 10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.841 2.454 13.857 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.215 0.075 12.795 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.484 0.710 14.427 1.00 0.00 H new ATOM 298 N SER A 104 55.739 6.182 11.076 1.00 0.00 N ATOM 299 CA SER A 104 56.917 6.920 11.520 1.00 0.00 C ATOM 300 C SER A 104 58.012 5.977 12.013 1.00 0.00 C ATOM 301 O SER A 104 59.197 6.308 11.958 1.00 0.00 O ATOM 302 CB SER A 104 56.538 7.902 12.630 1.00 0.00 C ATOM 303 OG SER A 104 55.735 8.955 12.128 1.00 0.00 O ATOM 0 H SER A 104 54.894 6.376 11.614 1.00 0.00 H new ATOM 0 HA SER A 104 57.305 7.473 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.000 7.375 13.418 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.442 8.313 13.080 1.00 0.00 H new ATOM 0 HG SER A 104 55.505 9.568 12.858 1.00 0.00 H new ATOM 309 N LYS A 105 57.612 4.805 12.498 1.00 0.00 N ATOM 310 CA LYS A 105 58.566 3.820 13.004 1.00 0.00 C ATOM 311 C LYS A 105 59.682 3.564 11.994 1.00 0.00 C ATOM 312 O LYS A 105 60.857 3.791 12.282 1.00 0.00 O ATOM 313 CB LYS A 105 57.851 2.509 13.331 1.00 0.00 C ATOM 314 CG LYS A 105 58.601 1.641 14.329 1.00 0.00 C ATOM 315 CD LYS A 105 57.658 1.004 15.338 1.00 0.00 C ATOM 316 CE LYS A 105 57.770 1.666 16.703 1.00 0.00 C ATOM 317 NZ LYS A 105 57.667 0.679 17.813 1.00 0.00 N ATOM 0 H LYS A 105 56.636 4.514 12.552 1.00 0.00 H new ATOM 0 HA LYS A 105 59.012 4.223 13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.861 2.734 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.704 1.945 12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.145 0.861 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.341 2.245 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 105 56.632 1.082 14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.884 -0.058 15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 105 58.722 2.192 16.773 1.00 0.00 H new ATOM 0 HE3 LYS A 105 56.984 2.414 16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 57.748 1.172 18.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 56.748 0.194 17.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.432 -0.020 17.728 1.00 0.00 H new ATOM 331 N THR A 106 59.306 3.094 10.809 1.00 0.00 N ATOM 332 CA THR A 106 60.274 2.809 9.756 1.00 0.00 C ATOM 333 C THR A 106 60.031 3.702 8.544 1.00 0.00 C ATOM 334 O THR A 106 60.975 4.192 7.924 1.00 0.00 O ATOM 335 CB THR A 106 60.196 1.338 9.344 1.00 0.00 C ATOM 336 OG1 THR A 106 58.855 0.883 9.364 1.00 0.00 O ATOM 337 CG2 THR A 106 61.005 0.424 10.238 1.00 0.00 C ATOM 0 H THR A 106 58.337 2.902 10.554 1.00 0.00 H new ATOM 0 HA THR A 106 61.271 3.015 10.146 1.00 0.00 H new ATOM 0 HB THR A 106 60.612 1.296 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.825 -0.059 9.096 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.907 -0.605 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.054 0.719 10.206 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.638 0.498 11.262 1.00 0.00 H new ATOM 345 N LYS A 107 58.755 3.904 8.213 1.00 0.00 N ATOM 346 CA LYS A 107 58.359 4.737 7.074 1.00 0.00 C ATOM 347 C LYS A 107 58.414 3.958 5.759 1.00 0.00 C ATOM 348 O LYS A 107 57.764 4.333 4.783 1.00 0.00 O ATOM 349 CB LYS A 107 59.234 5.993 6.980 1.00 0.00 C ATOM 350 CG LYS A 107 58.438 7.277 6.809 1.00 0.00 C ATOM 351 CD LYS A 107 57.871 7.763 8.134 1.00 0.00 C ATOM 352 CE LYS A 107 58.639 8.964 8.664 1.00 0.00 C ATOM 353 NZ LYS A 107 60.081 8.654 8.874 1.00 0.00 N ATOM 0 H LYS A 107 57.970 3.498 8.723 1.00 0.00 H new ATOM 0 HA LYS A 107 57.326 5.042 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.843 6.070 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.920 5.886 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.078 8.049 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.624 7.110 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.822 8.029 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.908 6.955 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.545 9.793 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.197 9.291 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.540 9.450 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.171 7.796 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.540 8.499 7.954 1.00 0.00 H new ATOM 367 N ARG A 108 59.188 2.875 5.731 1.00 0.00 N ATOM 368 CA ARG A 108 59.311 2.060 4.529 1.00 0.00 C ATOM 369 C ARG A 108 58.003 1.339 4.225 1.00 0.00 C ATOM 370 O ARG A 108 57.665 1.109 3.065 1.00 0.00 O ATOM 371 CB ARG A 108 60.445 1.045 4.687 1.00 0.00 C ATOM 372 CG ARG A 108 61.785 1.548 4.176 1.00 0.00 C ATOM 373 CD ARG A 108 62.935 1.034 5.027 1.00 0.00 C ATOM 374 NE ARG A 108 63.138 -0.403 4.860 1.00 0.00 N ATOM 375 CZ ARG A 108 64.276 -1.030 5.150 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.311 -0.354 5.635 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.379 -2.338 4.957 1.00 0.00 N ATOM 0 H ARG A 108 59.737 2.544 6.525 1.00 0.00 H new ATOM 0 HA ARG A 108 59.542 2.722 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.542 0.782 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.181 0.132 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 108 61.925 1.229 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.790 2.638 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.849 1.563 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.736 1.253 6.076 1.00 0.00 H new ATOM 0 HE ARG A 108 62.362 -0.959 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.237 0.652 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.180 -0.841 5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.587 -2.863 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.251 -2.819 5.179 1.00 0.00 H new ATOM 391 N PHE A 109 57.269 0.987 5.276 1.00 0.00 N ATOM 392 CA PHE A 109 55.994 0.293 5.122 1.00 0.00 C ATOM 393 C PHE A 109 54.853 1.114 5.717 1.00 0.00 C ATOM 394 O PHE A 109 55.021 1.778 6.740 1.00 0.00 O ATOM 395 CB PHE A 109 56.052 -1.081 5.788 1.00 0.00 C ATOM 396 CG PHE A 109 57.287 -1.864 5.443 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.342 -2.621 4.283 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.392 -1.844 6.278 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.477 -3.342 3.964 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.529 -2.563 5.964 1.00 0.00 C ATOM 401 CZ PHE A 109 59.572 -3.313 4.804 1.00 0.00 C ATOM 0 H PHE A 109 57.535 1.171 6.244 1.00 0.00 H new ATOM 0 HA PHE A 109 55.806 0.162 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.003 -0.954 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.174 -1.656 5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.489 -2.648 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.364 -1.259 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.507 -3.928 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.383 -2.539 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.460 -3.875 4.555 1.00 0.00 H new ATOM 411 N CYS A 110 53.697 1.072 5.062 1.00 0.00 N ATOM 412 CA CYS A 110 52.523 1.816 5.504 1.00 0.00 C ATOM 413 C CYS A 110 51.982 1.305 6.840 1.00 0.00 C ATOM 414 O CYS A 110 51.121 1.942 7.447 1.00 0.00 O ATOM 415 CB CYS A 110 51.428 1.719 4.438 1.00 0.00 C ATOM 416 SG CYS A 110 50.862 0.031 4.113 1.00 0.00 S ATOM 0 H CYS A 110 53.548 0.524 4.214 1.00 0.00 H new ATOM 0 HA CYS A 110 52.825 2.854 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.576 2.323 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.800 2.151 3.509 1.00 0.00 H new ATOM 421 N SER A 111 52.472 0.155 7.295 1.00 0.00 N ATOM 422 CA SER A 111 52.005 -0.415 8.555 1.00 0.00 C ATOM 423 C SER A 111 53.071 -1.288 9.207 1.00 0.00 C ATOM 424 O SER A 111 53.944 -1.831 8.530 1.00 0.00 O ATOM 425 CB SER A 111 50.742 -1.247 8.318 1.00 0.00 C ATOM 426 OG SER A 111 51.069 -2.582 7.961 1.00 0.00 O ATOM 0 H SER A 111 53.185 -0.395 6.816 1.00 0.00 H new ATOM 0 HA SER A 111 51.783 0.413 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.129 -1.248 9.219 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.146 -0.791 7.527 1.00 0.00 H new ATOM 0 HG SER A 111 51.370 -2.607 7.029 1.00 0.00 H new ATOM 432 N VAL A 112 52.980 -1.433 10.526 1.00 0.00 N ATOM 433 CA VAL A 112 53.923 -2.258 11.266 1.00 0.00 C ATOM 434 C VAL A 112 53.810 -3.710 10.819 1.00 0.00 C ATOM 435 O VAL A 112 54.802 -4.439 10.772 1.00 0.00 O ATOM 436 CB VAL A 112 53.683 -2.170 12.786 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.289 -2.664 13.141 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.744 -2.958 13.541 1.00 0.00 C ATOM 0 H VAL A 112 52.264 -0.990 11.101 1.00 0.00 H new ATOM 0 HA VAL A 112 54.925 -1.883 11.056 1.00 0.00 H new ATOM 0 HB VAL A 112 53.757 -1.124 13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.141 -2.593 14.219 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.545 -2.051 12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.180 -3.702 12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.558 -2.884 14.613 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.705 -4.004 13.237 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.729 -2.551 13.315 1.00 0.00 H new ATOM 448 N SER A 113 52.590 -4.119 10.476 1.00 0.00 N ATOM 449 CA SER A 113 52.341 -5.477 10.014 1.00 0.00 C ATOM 450 C SER A 113 53.175 -5.764 8.773 1.00 0.00 C ATOM 451 O SER A 113 53.796 -6.821 8.656 1.00 0.00 O ATOM 452 CB SER A 113 50.855 -5.674 9.706 1.00 0.00 C ATOM 453 OG SER A 113 50.470 -4.937 8.557 1.00 0.00 O ATOM 0 H SER A 113 51.760 -3.527 10.510 1.00 0.00 H new ATOM 0 HA SER A 113 52.626 -6.172 10.804 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.650 -6.733 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.258 -5.358 10.562 1.00 0.00 H new ATOM 0 HG SER A 113 50.858 -4.038 8.600 1.00 0.00 H new ATOM 459 N CYS A 114 53.195 -4.803 7.854 1.00 0.00 N ATOM 460 CA CYS A 114 53.966 -4.938 6.625 1.00 0.00 C ATOM 461 C CYS A 114 55.444 -5.154 6.941 1.00 0.00 C ATOM 462 O CYS A 114 56.184 -5.725 6.139 1.00 0.00 O ATOM 463 CB CYS A 114 53.797 -3.690 5.757 1.00 0.00 C ATOM 464 SG CYS A 114 52.208 -3.591 4.902 1.00 0.00 S ATOM 0 H CYS A 114 52.686 -3.923 7.938 1.00 0.00 H new ATOM 0 HA CYS A 114 53.595 -5.805 6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.915 -2.806 6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.597 -3.665 5.017 1.00 0.00 H new ATOM 469 N SER A 115 55.866 -4.695 8.118 1.00 0.00 N ATOM 470 CA SER A 115 57.253 -4.837 8.546 1.00 0.00 C ATOM 471 C SER A 115 57.520 -6.249 9.058 1.00 0.00 C ATOM 472 O SER A 115 58.466 -6.910 8.623 1.00 0.00 O ATOM 473 CB SER A 115 57.579 -3.815 9.638 1.00 0.00 C ATOM 474 OG SER A 115 58.942 -3.432 9.586 1.00 0.00 O ATOM 0 H SER A 115 55.265 -4.221 8.792 1.00 0.00 H new ATOM 0 HA SER A 115 57.895 -4.654 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 115 56.946 -2.936 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.354 -4.239 10.617 1.00 0.00 H new ATOM 0 HG SER A 115 59.125 -2.778 10.292 1.00 0.00 H new ATOM 480 N ARG A 116 56.669 -6.716 9.968 1.00 0.00 N ATOM 481 CA ARG A 116 56.809 -8.058 10.518 1.00 0.00 C ATOM 482 C ARG A 116 56.488 -9.104 9.456 1.00 0.00 C ATOM 483 O ARG A 116 56.881 -10.264 9.573 1.00 0.00 O ATOM 484 CB ARG A 116 55.889 -8.241 11.727 1.00 0.00 C ATOM 485 CG ARG A 116 54.411 -8.181 11.382 1.00 0.00 C ATOM 486 CD ARG A 116 53.547 -8.154 12.631 1.00 0.00 C ATOM 487 NE ARG A 116 53.796 -6.966 13.445 1.00 0.00 N ATOM 488 CZ ARG A 116 53.019 -6.584 14.456 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.943 -7.291 14.779 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.318 -5.492 15.144 1.00 0.00 N ATOM 0 H ARG A 116 55.879 -6.187 10.338 1.00 0.00 H new ATOM 0 HA ARG A 116 57.842 -8.189 10.841 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.105 -9.201 12.195 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.113 -7.469 12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.212 -7.293 10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.144 -9.044 10.772 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.496 -8.183 12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.741 -9.047 13.225 1.00 0.00 H new ATOM 0 HE ARG A 116 54.613 -6.396 13.226 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.708 -8.132 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.351 -6.994 15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 116 54.143 -4.945 14.899 1.00 0.00 H new ATOM 0 HH22 ARG A 116 52.723 -5.199 15.919 1.00 0.00 H new ATOM 504 N SER A 117 55.782 -8.679 8.412 1.00 0.00 N ATOM 505 CA SER A 117 55.421 -9.571 7.322 1.00 0.00 C ATOM 506 C SER A 117 56.583 -9.702 6.347 1.00 0.00 C ATOM 507 O SER A 117 57.007 -10.807 6.015 1.00 0.00 O ATOM 508 CB SER A 117 54.179 -9.051 6.594 1.00 0.00 C ATOM 509 OG SER A 117 52.996 -9.601 7.146 1.00 0.00 O ATOM 0 H SER A 117 55.450 -7.721 8.301 1.00 0.00 H new ATOM 0 HA SER A 117 55.194 -10.553 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.143 -7.964 6.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.242 -9.304 5.536 1.00 0.00 H new ATOM 0 HG SER A 117 52.217 -9.252 6.665 1.00 0.00 H new ATOM 515 N TYR A 118 57.107 -8.564 5.904 1.00 0.00 N ATOM 516 CA TYR A 118 58.233 -8.542 4.979 1.00 0.00 C ATOM 517 C TYR A 118 59.477 -9.148 5.623 1.00 0.00 C ATOM 518 O TYR A 118 60.357 -9.665 4.936 1.00 0.00 O ATOM 519 CB TYR A 118 58.521 -7.096 4.565 1.00 0.00 C ATOM 520 CG TYR A 118 59.091 -6.948 3.173 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.315 -7.510 2.836 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.402 -6.240 2.197 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.838 -7.369 1.563 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.916 -6.094 0.924 1.00 0.00 C ATOM 525 CZ TYR A 118 60.134 -6.661 0.612 1.00 0.00 C ATOM 526 OH TYR A 118 60.650 -6.519 -0.656 1.00 0.00 O ATOM 0 H TYR A 118 56.767 -7.641 6.173 1.00 0.00 H new ATOM 0 HA TYR A 118 57.976 -9.136 4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.597 -6.521 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.219 -6.658 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.867 -8.066 3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.447 -5.796 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.792 -7.811 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.368 -5.539 0.177 1.00 0.00 H new ATOM 0 HH TYR A 118 60.030 -5.994 -1.204 1.00 0.00 H new ATOM 536 N SER A 119 59.536 -9.087 6.949 1.00 0.00 N ATOM 537 CA SER A 119 60.668 -9.633 7.686 1.00 0.00 C ATOM 538 C SER A 119 60.454 -11.107 8.019 1.00 0.00 C ATOM 539 O SER A 119 61.354 -11.931 7.851 1.00 0.00 O ATOM 540 CB SER A 119 60.898 -8.832 8.967 1.00 0.00 C ATOM 541 OG SER A 119 61.733 -9.538 9.869 1.00 0.00 O ATOM 0 H SER A 119 58.814 -8.666 7.534 1.00 0.00 H new ATOM 0 HA SER A 119 61.551 -9.556 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.352 -7.872 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.941 -8.620 9.443 1.00 0.00 H new ATOM 0 HG SER A 119 61.865 -9.003 10.679 1.00 0.00 H new ATOM 547 N SER A 120 59.262 -11.425 8.508 1.00 0.00 N ATOM 548 CA SER A 120 58.926 -12.795 8.888 1.00 0.00 C ATOM 549 C SER A 120 58.389 -13.608 7.710 1.00 0.00 C ATOM 550 O SER A 120 58.041 -14.778 7.871 1.00 0.00 O ATOM 551 CB SER A 120 57.893 -12.787 10.016 1.00 0.00 C ATOM 552 OG SER A 120 58.054 -13.911 10.864 1.00 0.00 O ATOM 0 H SER A 120 58.509 -10.752 8.652 1.00 0.00 H new ATOM 0 HA SER A 120 59.847 -13.270 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.993 -11.871 10.598 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.888 -12.788 9.593 1.00 0.00 H new ATOM 0 HG SER A 120 57.383 -13.881 11.577 1.00 0.00 H new ATOM 558 N ASN A 121 58.312 -12.996 6.532 1.00 0.00 N ATOM 559 CA ASN A 121 57.804 -13.695 5.356 1.00 0.00 C ATOM 560 C ASN A 121 58.680 -13.465 4.125 1.00 0.00 C ATOM 561 O ASN A 121 58.383 -13.978 3.046 1.00 0.00 O ATOM 562 CB ASN A 121 56.370 -13.254 5.058 1.00 0.00 C ATOM 563 CG ASN A 121 55.631 -14.241 4.180 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.748 -15.454 4.352 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.863 -13.722 3.230 1.00 0.00 N ATOM 0 H ASN A 121 58.591 -12.029 6.367 1.00 0.00 H new ATOM 0 HA ASN A 121 57.823 -14.761 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.829 -13.131 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.387 -12.280 4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.339 -14.335 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.796 -12.710 3.124 1.00 0.00 H new ATOM 572 N SER A 122 59.756 -12.696 4.277 1.00 0.00 N ATOM 573 CA SER A 122 60.644 -12.422 3.153 1.00 0.00 C ATOM 574 C SER A 122 61.978 -11.841 3.615 1.00 0.00 C ATOM 575 O SER A 122 62.294 -11.840 4.804 1.00 0.00 O ATOM 576 CB SER A 122 59.971 -11.464 2.169 1.00 0.00 C ATOM 577 OG SER A 122 60.278 -11.808 0.829 1.00 0.00 O ATOM 0 H SER A 122 60.031 -12.257 5.156 1.00 0.00 H new ATOM 0 HA SER A 122 60.847 -13.370 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.891 -11.488 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 122 60.298 -10.444 2.369 1.00 0.00 H new ATOM 0 HG SER A 122 59.834 -11.181 0.220 1.00 0.00 H new ATOM 583 N LYS A 123 62.752 -11.349 2.653 1.00 0.00 N ATOM 584 CA LYS A 123 64.057 -10.762 2.939 1.00 0.00 C ATOM 585 C LYS A 123 64.542 -9.915 1.767 1.00 0.00 C ATOM 586 O LYS A 123 64.202 -10.181 0.614 1.00 0.00 O ATOM 587 CB LYS A 123 65.076 -11.862 3.243 1.00 0.00 C ATOM 588 CG LYS A 123 66.079 -11.483 4.319 1.00 0.00 C ATOM 589 CD LYS A 123 67.138 -12.560 4.495 1.00 0.00 C ATOM 590 CE LYS A 123 67.993 -12.305 5.726 1.00 0.00 C ATOM 591 NZ LYS A 123 67.352 -12.827 6.965 1.00 0.00 N ATOM 0 H LYS A 123 62.497 -11.345 1.665 1.00 0.00 H new ATOM 0 HA LYS A 123 63.955 -10.117 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 123 64.545 -12.761 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 123 65.614 -12.110 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 123 66.558 -10.540 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 123 65.559 -11.324 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 123 66.657 -13.534 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 123 67.774 -12.595 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 123 68.967 -12.776 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 123 68.168 -11.234 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 67.966 -12.633 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 66.433 -12.359 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 67.208 -13.853 6.876 1.00 0.00 H new ATOM 605 N LYS A 124 65.338 -8.895 2.070 1.00 0.00 N ATOM 606 CA LYS A 124 65.872 -8.010 1.041 1.00 0.00 C ATOM 607 C LYS A 124 67.289 -7.565 1.388 1.00 0.00 C ATOM 608 O LYS A 124 68.186 -7.734 0.536 1.00 0.00 O ATOM 609 CB LYS A 124 64.968 -6.787 0.871 1.00 0.00 C ATOM 610 CG LYS A 124 65.150 -6.077 -0.461 1.00 0.00 C ATOM 611 CD LYS A 124 64.601 -6.903 -1.614 1.00 0.00 C ATOM 612 CE LYS A 124 65.718 -7.533 -2.432 1.00 0.00 C ATOM 613 NZ LYS A 124 66.518 -6.510 -3.161 1.00 0.00 N ATOM 614 OXT LYS A 124 67.489 -7.051 2.508 1.00 0.00 O ATOM 0 H LYS A 124 65.628 -8.661 3.020 1.00 0.00 H new ATOM 0 HA LYS A 124 65.904 -8.563 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 124 63.928 -7.098 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 124 65.167 -6.083 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 124 64.645 -5.111 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 124 66.209 -5.878 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 124 63.949 -7.685 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 124 63.990 -6.270 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 124 66.373 -8.104 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 124 65.292 -8.237 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 66.987 -6.953 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 65.890 -5.750 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 67.236 -6.111 -2.523 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 51.878 -1.919 3.253 1.00 0.00 ZN