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 -74:sc= 1.33 USER MOD Set 1.2: A 113 SER OG : rot -39:sc= 1.11 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -59:sc= 1.14 USER MOD Single : A 92 MET CE :methyl -151:sc= -0.14 (180deg=-0.645) 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 -170:sc= 0.0223 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0707) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 87:sc= 0.184 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.194 USER MOD Single : A 120 SER OG : rot -38:sc= 0.161 USER MOD Single : A 121 ASN : amide:sc= -1.51 X(o=-1.5,f=-1) 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+ -169:sc= 0.173 (180deg=0.0286) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 65.186 19.185 0.235 1.00 0.00 N ATOM 2 CA GLY A 82 64.623 18.069 1.044 1.00 0.00 C ATOM 3 C GLY A 82 63.834 18.562 2.241 1.00 0.00 C ATOM 4 O GLY A 82 64.375 19.245 3.109 1.00 0.00 O ATOM 0 HA2 GLY A 82 63.977 17.457 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 82 65.435 17.427 1.387 1.00 0.00 H new ATOM 10 N SER A 83 62.551 18.216 2.288 1.00 0.00 N ATOM 11 CA SER A 83 61.690 18.632 3.389 1.00 0.00 C ATOM 12 C SER A 83 61.000 17.434 4.031 1.00 0.00 C ATOM 13 O SER A 83 60.534 16.530 3.339 1.00 0.00 O ATOM 14 CB SER A 83 60.644 19.635 2.897 1.00 0.00 C ATOM 15 OG SER A 83 60.156 19.276 1.617 1.00 0.00 O ATOM 0 H SER A 83 62.086 17.650 1.578 1.00 0.00 H new ATOM 0 HA SER A 83 62.317 19.110 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 83 59.817 19.680 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 83 61.083 20.632 2.856 1.00 0.00 H new ATOM 0 HG SER A 83 59.488 19.931 1.326 1.00 0.00 H new ATOM 21 N GLY A 84 60.939 17.438 5.360 1.00 0.00 N ATOM 22 CA GLY A 84 60.304 16.349 6.079 1.00 0.00 C ATOM 23 C GLY A 84 58.823 16.241 5.773 1.00 0.00 C ATOM 24 O GLY A 84 57.984 16.656 6.573 1.00 0.00 O ATOM 0 H GLY A 84 61.319 18.177 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 84 60.795 15.411 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 84 60.441 16.496 7.150 1.00 0.00 H new ATOM 28 N SER A 85 58.506 15.676 4.612 1.00 0.00 N ATOM 29 CA SER A 85 57.123 15.500 4.182 1.00 0.00 C ATOM 30 C SER A 85 57.084 15.009 2.737 1.00 0.00 C ATOM 31 O SER A 85 56.245 15.436 1.945 1.00 0.00 O ATOM 32 CB SER A 85 56.345 16.814 4.312 1.00 0.00 C ATOM 33 OG SER A 85 55.087 16.732 3.666 1.00 0.00 O ATOM 0 H SER A 85 59.196 15.329 3.946 1.00 0.00 H new ATOM 0 HA SER A 85 56.653 14.756 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 85 56.200 17.051 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 85 56.926 17.628 3.879 1.00 0.00 H new ATOM 0 HG SER A 85 55.220 16.531 2.716 1.00 0.00 H new ATOM 39 N GLU A 86 58.011 14.114 2.399 1.00 0.00 N ATOM 40 CA GLU A 86 58.097 13.570 1.048 1.00 0.00 C ATOM 41 C GLU A 86 57.378 12.226 0.946 1.00 0.00 C ATOM 42 O GLU A 86 57.107 11.578 1.957 1.00 0.00 O ATOM 43 CB GLU A 86 59.563 13.409 0.629 1.00 0.00 C ATOM 44 CG GLU A 86 60.495 14.459 1.219 1.00 0.00 C ATOM 45 CD GLU A 86 61.826 14.527 0.496 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.860 14.223 1.126 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.834 14.885 -0.701 1.00 0.00 O ATOM 0 H GLU A 86 58.713 13.751 3.044 1.00 0.00 H new ATOM 0 HA GLU A 86 57.607 14.273 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.910 12.420 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 86 59.626 13.452 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.011 15.435 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 86 60.668 14.236 2.272 1.00 0.00 H new ATOM 54 N PRO A 87 57.055 11.793 -0.287 1.00 0.00 N ATOM 55 CA PRO A 87 56.359 10.526 -0.532 1.00 0.00 C ATOM 56 C PRO A 87 57.259 9.311 -0.319 1.00 0.00 C ATOM 57 O PRO A 87 58.403 9.284 -0.772 1.00 0.00 O ATOM 58 CB PRO A 87 55.929 10.618 -2.007 1.00 0.00 C ATOM 59 CG PRO A 87 56.228 12.020 -2.433 1.00 0.00 C ATOM 60 CD PRO A 87 57.332 12.502 -1.540 1.00 0.00 C ATOM 0 HA PRO A 87 55.527 10.390 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.474 9.899 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.868 10.393 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 87 56.531 12.053 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 87 55.346 12.653 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 87 58.315 12.253 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 87 57.306 13.584 -1.409 1.00 0.00 H new ATOM 68 N ALA A 88 56.727 8.304 0.369 1.00 0.00 N ATOM 69 CA ALA A 88 57.470 7.079 0.642 1.00 0.00 C ATOM 70 C ALA A 88 56.699 5.859 0.142 1.00 0.00 C ATOM 71 O ALA A 88 55.550 5.639 0.528 1.00 0.00 O ATOM 72 CB ALA A 88 57.755 6.958 2.133 1.00 0.00 C ATOM 0 H ALA A 88 55.780 8.314 0.749 1.00 0.00 H new ATOM 0 HA ALA A 88 58.420 7.123 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.310 6.040 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.345 7.814 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.814 6.934 2.683 1.00 0.00 H new ATOM 78 N VAL A 89 57.330 5.077 -0.728 1.00 0.00 N ATOM 79 CA VAL A 89 56.695 3.890 -1.290 1.00 0.00 C ATOM 80 C VAL A 89 56.755 2.708 -0.325 1.00 0.00 C ATOM 81 O VAL A 89 57.738 2.528 0.393 1.00 0.00 O ATOM 82 CB VAL A 89 57.351 3.481 -2.625 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.518 2.421 -3.328 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.550 4.696 -3.523 1.00 0.00 C ATOM 0 H VAL A 89 58.280 5.244 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 89 55.652 4.151 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 89 58.331 3.056 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.997 2.146 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.436 1.541 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.522 2.816 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.014 4.385 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.584 5.156 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.194 5.418 -3.021 1.00 0.00 H new ATOM 94 N CYS A 90 55.697 1.900 -0.323 1.00 0.00 N ATOM 95 CA CYS A 90 55.626 0.727 0.544 1.00 0.00 C ATOM 96 C CYS A 90 56.203 -0.496 -0.164 1.00 0.00 C ATOM 97 O CYS A 90 55.728 -0.891 -1.225 1.00 0.00 O ATOM 98 CB CYS A 90 54.176 0.460 0.959 1.00 0.00 C ATOM 99 SG CYS A 90 53.990 -0.856 2.185 1.00 0.00 S ATOM 0 H CYS A 90 54.876 2.037 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 90 56.217 0.923 1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.749 1.379 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.597 0.201 0.072 1.00 0.00 H new ATOM 104 N GLU A 91 57.246 -1.076 0.416 1.00 0.00 N ATOM 105 CA GLU A 91 57.907 -2.239 -0.172 1.00 0.00 C ATOM 106 C GLU A 91 56.989 -3.461 -0.235 1.00 0.00 C ATOM 107 O GLU A 91 57.215 -4.369 -1.035 1.00 0.00 O ATOM 108 CB GLU A 91 59.161 -2.583 0.635 1.00 0.00 C ATOM 109 CG GLU A 91 60.445 -2.045 0.027 1.00 0.00 C ATOM 110 CD GLU A 91 60.366 -0.565 -0.292 1.00 0.00 C ATOM 111 OE1 GLU A 91 60.412 -0.212 -1.489 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.259 0.242 0.655 1.00 0.00 O ATOM 0 H GLU A 91 57.655 -0.761 1.296 1.00 0.00 H new ATOM 0 HA GLU A 91 58.175 -1.977 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.053 -2.186 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.238 -3.666 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.270 -2.220 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.670 -2.598 -0.885 1.00 0.00 H new ATOM 119 N MET A 92 55.975 -3.500 0.622 1.00 0.00 N ATOM 120 CA MET A 92 55.062 -4.639 0.660 1.00 0.00 C ATOM 121 C MET A 92 53.847 -4.444 -0.248 1.00 0.00 C ATOM 122 O MET A 92 53.593 -5.258 -1.135 1.00 0.00 O ATOM 123 CB MET A 92 54.603 -4.891 2.098 1.00 0.00 C ATOM 124 CG MET A 92 54.137 -6.317 2.347 1.00 0.00 C ATOM 125 SD MET A 92 52.342 -6.458 2.433 1.00 0.00 S ATOM 126 CE MET A 92 52.148 -7.377 3.958 1.00 0.00 C ATOM 0 H MET A 92 55.764 -2.763 1.295 1.00 0.00 H new ATOM 0 HA MET A 92 55.609 -5.505 0.287 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.424 -4.662 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.790 -4.205 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.510 -6.961 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 92 54.571 -6.679 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.237 -7.974 3.910 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.006 -8.034 4.098 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.082 -6.682 4.795 1.00 0.00 H new ATOM 136 N CYS A 93 53.087 -3.380 -0.013 1.00 0.00 N ATOM 137 CA CYS A 93 51.889 -3.105 -0.800 1.00 0.00 C ATOM 138 C CYS A 93 52.198 -2.264 -2.034 1.00 0.00 C ATOM 139 O CYS A 93 51.505 -2.358 -3.047 1.00 0.00 O ATOM 140 CB CYS A 93 50.850 -2.381 0.060 1.00 0.00 C ATOM 141 SG CYS A 93 50.686 -3.033 1.738 1.00 0.00 S ATOM 0 H CYS A 93 53.279 -2.693 0.716 1.00 0.00 H new ATOM 0 HA CYS A 93 51.494 -4.064 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.116 -1.325 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.881 -2.439 -0.436 1.00 0.00 H new ATOM 146 N GLY A 94 53.227 -1.433 -1.942 1.00 0.00 N ATOM 147 CA GLY A 94 53.588 -0.579 -3.058 1.00 0.00 C ATOM 148 C GLY A 94 53.027 0.820 -2.906 1.00 0.00 C ATOM 149 O GLY A 94 53.547 1.772 -3.486 1.00 0.00 O ATOM 0 H GLY A 94 53.818 -1.334 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.674 -0.528 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.220 -1.019 -3.985 1.00 0.00 H new ATOM 153 N ILE A 95 51.961 0.943 -2.119 1.00 0.00 N ATOM 154 CA ILE A 95 51.326 2.234 -1.886 1.00 0.00 C ATOM 155 C ILE A 95 52.337 3.260 -1.395 1.00 0.00 C ATOM 156 O ILE A 95 53.182 2.962 -0.550 1.00 0.00 O ATOM 157 CB ILE A 95 50.183 2.121 -0.857 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.210 1.012 -1.262 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.453 3.450 -0.724 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.655 1.177 -2.660 1.00 0.00 C ATOM 0 H ILE A 95 51.520 0.163 -1.632 1.00 0.00 H new ATOM 0 HA ILE A 95 50.913 2.561 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 95 50.613 1.867 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.718 0.050 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.383 0.988 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.650 3.352 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.152 4.218 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.033 3.733 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 95 47.973 0.356 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.118 2.123 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.474 1.171 -3.380 1.00 0.00 H new ATOM 172 N VAL A 96 52.245 4.467 -1.934 1.00 0.00 N ATOM 173 CA VAL A 96 53.148 5.544 -1.558 1.00 0.00 C ATOM 174 C VAL A 96 52.419 6.593 -0.728 1.00 0.00 C ATOM 175 O VAL A 96 51.285 6.960 -1.036 1.00 0.00 O ATOM 176 CB VAL A 96 53.758 6.217 -2.800 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.937 7.091 -2.406 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.178 5.174 -3.827 1.00 0.00 C ATOM 0 H VAL A 96 51.551 4.725 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 96 53.949 5.104 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 96 52.998 6.852 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.356 7.559 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.602 7.863 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.699 6.478 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.607 5.672 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.921 4.509 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.308 4.594 -4.133 1.00 0.00 H new ATOM 188 N GLY A 97 53.076 7.084 0.316 1.00 0.00 N ATOM 189 CA GLY A 97 52.474 8.097 1.160 1.00 0.00 C ATOM 190 C GLY A 97 53.511 9.004 1.789 1.00 0.00 C ATOM 191 O GLY A 97 54.638 8.580 2.041 1.00 0.00 O ATOM 0 H GLY A 97 54.015 6.798 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.780 8.695 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.891 7.615 1.945 1.00 0.00 H new ATOM 195 N THR A 98 53.134 10.247 2.061 1.00 0.00 N ATOM 196 CA THR A 98 54.052 11.196 2.682 1.00 0.00 C ATOM 197 C THR A 98 54.553 10.645 4.013 1.00 0.00 C ATOM 198 O THR A 98 53.785 10.052 4.768 1.00 0.00 O ATOM 199 CB THR A 98 53.362 12.543 2.899 1.00 0.00 C ATOM 200 OG1 THR A 98 52.159 12.379 3.629 1.00 0.00 O ATOM 201 CG2 THR A 98 53.022 13.252 1.607 1.00 0.00 C ATOM 0 H THR A 98 52.206 10.621 1.863 1.00 0.00 H new ATOM 0 HA THR A 98 54.902 11.344 2.016 1.00 0.00 H new ATOM 0 HB THR A 98 54.078 13.150 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.734 13.252 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.535 14.201 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.936 13.437 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.350 12.629 1.016 1.00 0.00 H new ATOM 209 N ARG A 99 55.844 10.819 4.292 1.00 0.00 N ATOM 210 CA ARG A 99 56.433 10.312 5.531 1.00 0.00 C ATOM 211 C ARG A 99 55.574 10.646 6.750 1.00 0.00 C ATOM 212 O ARG A 99 55.468 9.844 7.678 1.00 0.00 O ATOM 213 CB ARG A 99 57.848 10.862 5.718 1.00 0.00 C ATOM 214 CG ARG A 99 57.954 12.367 5.538 1.00 0.00 C ATOM 215 CD ARG A 99 59.400 12.807 5.370 1.00 0.00 C ATOM 216 NE ARG A 99 60.303 12.088 6.266 1.00 0.00 N ATOM 217 CZ ARG A 99 60.444 12.371 7.560 1.00 0.00 C ATOM 218 NH1 ARG A 99 59.743 13.355 8.111 1.00 0.00 N ATOM 219 NH2 ARG A 99 61.286 11.668 8.304 1.00 0.00 N ATOM 0 H ARG A 99 56.500 11.305 3.680 1.00 0.00 H new ATOM 0 HA ARG A 99 56.480 9.226 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.200 10.600 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.514 10.373 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.376 12.672 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 99 57.517 12.870 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.710 12.645 4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.477 13.877 5.561 1.00 0.00 H new ATOM 0 HE ARG A 99 60.858 11.325 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 99 59.093 13.898 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.855 13.568 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 99 61.826 10.910 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 99 61.394 11.885 9.295 1.00 0.00 H new ATOM 233 N GLU A 100 54.956 11.825 6.749 1.00 0.00 N ATOM 234 CA GLU A 100 54.105 12.240 7.863 1.00 0.00 C ATOM 235 C GLU A 100 52.807 11.427 7.913 1.00 0.00 C ATOM 236 O GLU A 100 51.964 11.644 8.781 1.00 0.00 O ATOM 237 CB GLU A 100 53.777 13.731 7.751 1.00 0.00 C ATOM 238 CG GLU A 100 54.938 14.641 8.119 1.00 0.00 C ATOM 239 CD GLU A 100 54.833 15.177 9.533 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.913 16.412 9.707 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.672 14.363 10.467 1.00 0.00 O ATOM 0 H GLU A 100 55.027 12.507 5.994 1.00 0.00 H new ATOM 0 HA GLU A 100 54.656 12.057 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.465 13.950 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.930 13.957 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.873 14.092 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.976 15.476 7.420 1.00 0.00 H new ATOM 248 N ALA A 101 52.658 10.490 6.980 1.00 0.00 N ATOM 249 CA ALA A 101 51.472 9.645 6.921 1.00 0.00 C ATOM 250 C ALA A 101 51.836 8.167 7.052 1.00 0.00 C ATOM 251 O ALA A 101 50.986 7.336 7.375 1.00 0.00 O ATOM 252 CB ALA A 101 50.718 9.892 5.624 1.00 0.00 C ATOM 0 H ALA A 101 53.347 10.298 6.253 1.00 0.00 H new ATOM 0 HA ALA A 101 50.829 9.905 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.834 9.256 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.415 10.938 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.364 9.660 4.778 1.00 0.00 H new ATOM 258 N PHE A 102 53.101 7.843 6.796 1.00 0.00 N ATOM 259 CA PHE A 102 53.573 6.466 6.880 1.00 0.00 C ATOM 260 C PHE A 102 54.126 6.157 8.268 1.00 0.00 C ATOM 261 O PHE A 102 54.512 7.060 9.011 1.00 0.00 O ATOM 262 CB PHE A 102 54.655 6.217 5.827 1.00 0.00 C ATOM 263 CG PHE A 102 54.168 5.453 4.631 1.00 0.00 C ATOM 264 CD1 PHE A 102 53.213 5.998 3.789 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.669 4.193 4.346 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.764 5.299 2.685 1.00 0.00 C ATOM 267 CE2 PHE A 102 54.224 3.489 3.245 1.00 0.00 C ATOM 268 CZ PHE A 102 53.271 4.043 2.413 1.00 0.00 C ATOM 0 H PHE A 102 53.818 8.518 6.528 1.00 0.00 H new ATOM 0 HA PHE A 102 52.725 5.807 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.055 7.175 5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.478 5.669 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.815 6.980 3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.416 3.757 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 102 52.018 5.734 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.620 2.507 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.922 3.495 1.550 1.00 0.00 H new ATOM 278 N PHE A 103 54.160 4.870 8.607 1.00 0.00 N ATOM 279 CA PHE A 103 54.667 4.420 9.903 1.00 0.00 C ATOM 280 C PHE A 103 55.976 5.125 10.257 1.00 0.00 C ATOM 281 O PHE A 103 56.987 4.959 9.575 1.00 0.00 O ATOM 282 CB PHE A 103 54.873 2.903 9.889 1.00 0.00 C ATOM 283 CG PHE A 103 54.831 2.271 11.252 1.00 0.00 C ATOM 284 CD1 PHE A 103 53.877 2.658 12.180 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.742 1.287 11.604 1.00 0.00 C ATOM 286 CE1 PHE A 103 53.833 2.077 13.433 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.703 0.703 12.856 1.00 0.00 C ATOM 288 CZ PHE A 103 54.747 1.098 13.772 1.00 0.00 C ATOM 0 H PHE A 103 53.841 4.116 7.999 1.00 0.00 H new ATOM 0 HA PHE A 103 53.929 4.674 10.663 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.105 2.447 9.264 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.834 2.681 9.426 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.160 3.423 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.491 0.973 10.892 1.00 0.00 H new ATOM 0 HE1 PHE A 103 53.085 2.388 14.147 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.419 -0.062 13.118 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.714 0.643 14.751 1.00 0.00 H new ATOM 298 N SER A 104 55.942 5.919 11.321 1.00 0.00 N ATOM 299 CA SER A 104 57.116 6.663 11.767 1.00 0.00 C ATOM 300 C SER A 104 58.247 5.728 12.184 1.00 0.00 C ATOM 301 O SER A 104 59.422 6.082 12.086 1.00 0.00 O ATOM 302 CB SER A 104 56.745 7.578 12.934 1.00 0.00 C ATOM 303 OG SER A 104 56.095 6.852 13.963 1.00 0.00 O ATOM 0 H SER A 104 55.111 6.065 11.894 1.00 0.00 H new ATOM 0 HA SER A 104 57.467 7.264 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.644 8.051 13.330 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.094 8.377 12.581 1.00 0.00 H new ATOM 0 HG SER A 104 55.869 7.459 14.699 1.00 0.00 H new ATOM 309 N LYS A 105 57.891 4.537 12.655 1.00 0.00 N ATOM 310 CA LYS A 105 58.886 3.562 13.093 1.00 0.00 C ATOM 311 C LYS A 105 59.915 3.294 11.998 1.00 0.00 C ATOM 312 O LYS A 105 61.110 3.528 12.184 1.00 0.00 O ATOM 313 CB LYS A 105 58.202 2.253 13.493 1.00 0.00 C ATOM 314 CG LYS A 105 59.044 1.379 14.409 1.00 0.00 C ATOM 315 CD LYS A 105 58.261 0.932 15.635 1.00 0.00 C ATOM 316 CE LYS A 105 58.731 -0.426 16.130 1.00 0.00 C ATOM 317 NZ LYS A 105 58.938 -0.441 17.605 1.00 0.00 N ATOM 0 H LYS A 105 56.924 4.224 12.743 1.00 0.00 H new ATOM 0 HA LYS A 105 59.405 3.977 13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.260 2.483 13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.958 1.690 12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.391 0.504 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.930 1.930 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 105 58.374 1.670 16.430 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.199 0.885 15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 105 57.997 -1.185 15.859 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.663 -0.691 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 59.258 -1.385 17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 59.657 0.265 17.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.043 -0.213 18.083 1.00 0.00 H new ATOM 331 N THR A 106 59.444 2.802 10.856 1.00 0.00 N ATOM 332 CA THR A 106 60.324 2.502 9.732 1.00 0.00 C ATOM 333 C THR A 106 60.148 3.520 8.611 1.00 0.00 C ATOM 334 O THR A 106 61.127 4.023 8.059 1.00 0.00 O ATOM 335 CB THR A 106 60.052 1.092 9.206 1.00 0.00 C ATOM 336 OG1 THR A 106 58.714 0.707 9.469 1.00 0.00 O ATOM 337 CG2 THR A 106 60.959 0.044 9.813 1.00 0.00 C ATOM 0 H THR A 106 58.458 2.603 10.685 1.00 0.00 H new ATOM 0 HA THR A 106 61.353 2.558 10.086 1.00 0.00 H new ATOM 0 HB THR A 106 60.244 1.141 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.603 -0.246 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.714 -0.934 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.997 0.285 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.820 0.024 10.894 1.00 0.00 H new ATOM 345 N LYS A 107 58.889 3.813 8.278 1.00 0.00 N ATOM 346 CA LYS A 107 58.556 4.769 7.219 1.00 0.00 C ATOM 347 C LYS A 107 58.557 4.104 5.843 1.00 0.00 C ATOM 348 O LYS A 107 57.862 4.553 4.930 1.00 0.00 O ATOM 349 CB LYS A 107 59.523 5.960 7.227 1.00 0.00 C ATOM 350 CG LYS A 107 58.832 7.303 7.062 1.00 0.00 C ATOM 351 CD LYS A 107 58.072 7.698 8.319 1.00 0.00 C ATOM 352 CE LYS A 107 58.740 8.864 9.031 1.00 0.00 C ATOM 353 NZ LYS A 107 60.136 8.542 9.434 1.00 0.00 N ATOM 0 H LYS A 107 58.076 3.397 8.732 1.00 0.00 H new ATOM 0 HA LYS A 107 57.549 5.134 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.080 5.960 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.250 5.833 6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.573 8.068 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 107 58.143 7.258 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.049 7.968 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 107 58.013 6.844 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.743 9.736 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.160 9.131 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.492 9.281 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.153 7.624 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.739 8.495 8.588 1.00 0.00 H new ATOM 367 N ARG A 108 59.334 3.034 5.694 1.00 0.00 N ATOM 368 CA ARG A 108 59.411 2.318 4.427 1.00 0.00 C ATOM 369 C ARG A 108 58.128 1.535 4.163 1.00 0.00 C ATOM 370 O ARG A 108 57.805 1.223 3.017 1.00 0.00 O ATOM 371 CB ARG A 108 60.610 1.371 4.423 1.00 0.00 C ATOM 372 CG ARG A 108 61.863 1.976 3.811 1.00 0.00 C ATOM 373 CD ARG A 108 63.118 1.377 4.422 1.00 0.00 C ATOM 374 NE ARG A 108 63.364 1.883 5.771 1.00 0.00 N ATOM 375 CZ ARG A 108 64.096 2.963 6.041 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.617 3.685 5.056 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.295 3.330 7.300 1.00 0.00 N ATOM 0 H ARG A 108 59.918 2.645 6.435 1.00 0.00 H new ATOM 0 HA ARG A 108 59.536 3.053 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.826 1.068 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.347 0.468 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 108 61.863 1.806 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.861 3.055 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.024 0.292 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.975 1.604 3.787 1.00 0.00 H new ATOM 0 HE ARG A 108 62.950 1.378 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.458 3.414 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.176 4.511 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.888 2.786 8.060 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.855 4.157 7.508 1.00 0.00 H new ATOM 391 N PHE A 109 57.397 1.224 5.231 1.00 0.00 N ATOM 392 CA PHE A 109 56.149 0.483 5.111 1.00 0.00 C ATOM 393 C PHE A 109 54.990 1.285 5.696 1.00 0.00 C ATOM 394 O PHE A 109 55.138 1.957 6.716 1.00 0.00 O ATOM 395 CB PHE A 109 56.260 -0.870 5.816 1.00 0.00 C ATOM 396 CG PHE A 109 57.532 -1.611 5.505 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.691 -2.273 4.296 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.565 -1.651 6.428 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.858 -2.959 4.016 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.734 -2.335 6.152 1.00 0.00 C ATOM 401 CZ PHE A 109 59.880 -2.990 4.944 1.00 0.00 C ATOM 0 H PHE A 109 57.649 1.474 6.187 1.00 0.00 H new ATOM 0 HA PHE A 109 55.955 0.312 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.194 -0.715 6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.410 -1.489 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.895 -2.252 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.455 -1.142 7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.970 -3.471 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.532 -2.357 6.879 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.792 -3.525 4.726 1.00 0.00 H new ATOM 411 N CYS A 110 53.843 1.222 5.029 1.00 0.00 N ATOM 412 CA CYS A 110 52.653 1.949 5.455 1.00 0.00 C ATOM 413 C CYS A 110 52.093 1.428 6.777 1.00 0.00 C ATOM 414 O CYS A 110 51.222 2.061 7.374 1.00 0.00 O ATOM 415 CB CYS A 110 51.579 1.853 4.369 1.00 0.00 C ATOM 416 SG CYS A 110 50.997 0.169 4.054 1.00 0.00 S ATOM 0 H CYS A 110 53.712 0.669 4.182 1.00 0.00 H new ATOM 0 HA CYS A 110 52.943 2.988 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.729 2.472 4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.976 2.268 3.443 1.00 0.00 H new ATOM 421 N SER A 111 52.570 0.272 7.232 1.00 0.00 N ATOM 422 CA SER A 111 52.071 -0.298 8.479 1.00 0.00 C ATOM 423 C SER A 111 53.107 -1.183 9.158 1.00 0.00 C ATOM 424 O SER A 111 53.987 -1.744 8.505 1.00 0.00 O ATOM 425 CB SER A 111 50.807 -1.114 8.211 1.00 0.00 C ATOM 426 OG SER A 111 51.128 -2.444 7.834 1.00 0.00 O ATOM 0 H SER A 111 53.289 -0.280 6.765 1.00 0.00 H new ATOM 0 HA SER A 111 51.847 0.533 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.182 -1.127 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.225 -0.639 7.421 1.00 0.00 H new ATOM 0 HG SER A 111 51.473 -2.450 6.917 1.00 0.00 H new ATOM 432 N VAL A 112 52.979 -1.318 10.476 1.00 0.00 N ATOM 433 CA VAL A 112 53.883 -2.154 11.248 1.00 0.00 C ATOM 434 C VAL A 112 53.757 -3.605 10.801 1.00 0.00 C ATOM 435 O VAL A 112 54.741 -4.345 10.755 1.00 0.00 O ATOM 436 CB VAL A 112 53.594 -2.053 12.760 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.182 -2.527 13.072 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.621 -2.844 13.555 1.00 0.00 C ATOM 0 H VAL A 112 52.256 -0.857 11.028 1.00 0.00 H new ATOM 0 HA VAL A 112 54.898 -1.799 11.071 1.00 0.00 H new ATOM 0 HB VAL A 112 53.670 -1.006 13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.000 -2.447 14.144 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.463 -1.908 12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.070 -3.566 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.400 -2.760 14.619 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.583 -3.892 13.258 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.617 -2.447 13.359 1.00 0.00 H new ATOM 448 N SER A 113 52.532 -3.998 10.451 1.00 0.00 N ATOM 449 CA SER A 113 52.270 -5.352 9.982 1.00 0.00 C ATOM 450 C SER A 113 53.121 -5.646 8.754 1.00 0.00 C ATOM 451 O SER A 113 53.677 -6.736 8.615 1.00 0.00 O ATOM 452 CB SER A 113 50.786 -5.529 9.650 1.00 0.00 C ATOM 453 OG SER A 113 50.397 -4.688 8.578 1.00 0.00 O ATOM 0 H SER A 113 51.709 -3.396 10.485 1.00 0.00 H new ATOM 0 HA SER A 113 52.531 -6.054 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.591 -6.569 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.184 -5.303 10.530 1.00 0.00 H new ATOM 0 HG SER A 113 50.836 -3.817 8.670 1.00 0.00 H new ATOM 459 N CYS A 114 53.232 -4.654 7.874 1.00 0.00 N ATOM 460 CA CYS A 114 54.035 -4.794 6.666 1.00 0.00 C ATOM 461 C CYS A 114 55.493 -5.070 7.025 1.00 0.00 C ATOM 462 O CYS A 114 56.238 -5.649 6.237 1.00 0.00 O ATOM 463 CB CYS A 114 53.942 -3.525 5.814 1.00 0.00 C ATOM 464 SG CYS A 114 52.470 -3.439 4.767 1.00 0.00 S ATOM 0 H CYS A 114 52.776 -3.747 7.976 1.00 0.00 H new ATOM 0 HA CYS A 114 53.647 -5.635 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.956 -2.657 6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.828 -3.460 5.182 1.00 0.00 H new ATOM 469 N SER A 115 55.890 -4.649 8.225 1.00 0.00 N ATOM 470 CA SER A 115 57.255 -4.847 8.698 1.00 0.00 C ATOM 471 C SER A 115 57.449 -6.268 9.215 1.00 0.00 C ATOM 472 O SER A 115 58.395 -6.959 8.826 1.00 0.00 O ATOM 473 CB SER A 115 57.585 -3.841 9.803 1.00 0.00 C ATOM 474 OG SER A 115 58.967 -3.529 9.815 1.00 0.00 O ATOM 0 H SER A 115 55.282 -4.167 8.887 1.00 0.00 H new ATOM 0 HA SER A 115 57.931 -4.689 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.005 -2.930 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.293 -4.250 10.770 1.00 0.00 H new ATOM 0 HG SER A 115 59.150 -2.883 10.529 1.00 0.00 H new ATOM 480 N ARG A 116 56.536 -6.714 10.074 1.00 0.00 N ATOM 481 CA ARG A 116 56.604 -8.062 10.620 1.00 0.00 C ATOM 482 C ARG A 116 56.274 -9.089 9.543 1.00 0.00 C ATOM 483 O ARG A 116 56.641 -10.258 9.653 1.00 0.00 O ATOM 484 CB ARG A 116 55.642 -8.212 11.800 1.00 0.00 C ATOM 485 CG ARG A 116 54.230 -7.737 11.500 1.00 0.00 C ATOM 486 CD ARG A 116 53.206 -8.441 12.377 1.00 0.00 C ATOM 487 NE ARG A 116 52.174 -9.104 11.586 1.00 0.00 N ATOM 488 CZ ARG A 116 51.144 -9.762 12.113 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.006 -9.845 13.430 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.249 -10.337 11.321 1.00 0.00 N ATOM 0 H ARG A 116 55.744 -6.162 10.405 1.00 0.00 H new ATOM 0 HA ARG A 116 57.620 -8.237 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.608 -9.260 12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.032 -7.651 12.649 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.166 -6.660 11.657 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.999 -7.920 10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.710 -9.176 13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 116 52.741 -7.716 13.045 1.00 0.00 H new ATOM 0 HE ARG A 116 52.246 -9.061 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.691 -9.403 14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 116 50.215 -10.350 13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.350 -10.275 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 116 49.460 -10.841 11.725 1.00 0.00 H new ATOM 504 N SER A 117 55.594 -8.638 8.493 1.00 0.00 N ATOM 505 CA SER A 117 55.234 -9.513 7.388 1.00 0.00 C ATOM 506 C SER A 117 56.427 -9.689 6.461 1.00 0.00 C ATOM 507 O SER A 117 56.825 -10.810 6.149 1.00 0.00 O ATOM 508 CB SER A 117 54.048 -8.938 6.614 1.00 0.00 C ATOM 509 OG SER A 117 52.826 -9.214 7.275 1.00 0.00 O ATOM 0 H SER A 117 55.283 -7.673 8.386 1.00 0.00 H new ATOM 0 HA SER A 117 54.946 -10.484 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.170 -7.861 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.026 -9.361 5.610 1.00 0.00 H new ATOM 0 HG SER A 117 52.646 -8.513 7.936 1.00 0.00 H new ATOM 515 N TYR A 118 57.005 -8.569 6.038 1.00 0.00 N ATOM 516 CA TYR A 118 58.168 -8.580 5.161 1.00 0.00 C ATOM 517 C TYR A 118 59.362 -9.228 5.856 1.00 0.00 C ATOM 518 O TYR A 118 60.254 -9.769 5.206 1.00 0.00 O ATOM 519 CB TYR A 118 58.520 -7.141 4.771 1.00 0.00 C ATOM 520 CG TYR A 118 59.159 -6.996 3.408 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.378 -7.593 3.119 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.542 -6.249 2.413 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.965 -7.451 1.875 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.120 -6.102 1.169 1.00 0.00 C ATOM 525 CZ TYR A 118 60.331 -6.705 0.903 1.00 0.00 C ATOM 526 OH TYR A 118 60.911 -6.560 -0.336 1.00 0.00 O ATOM 0 H TYR A 118 56.682 -7.635 6.292 1.00 0.00 H new ATOM 0 HA TYR A 118 57.931 -9.160 4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.612 -6.539 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.197 -6.731 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.876 -8.178 3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.593 -5.775 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.914 -7.921 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.626 -5.517 0.407 1.00 0.00 H new ATOM 0 HH TYR A 118 60.335 -6.006 -0.904 1.00 0.00 H new ATOM 536 N SER A 119 59.365 -9.175 7.185 1.00 0.00 N ATOM 537 CA SER A 119 60.443 -9.762 7.971 1.00 0.00 C ATOM 538 C SER A 119 60.163 -11.227 8.295 1.00 0.00 C ATOM 539 O SER A 119 61.057 -12.072 8.227 1.00 0.00 O ATOM 540 CB SER A 119 60.648 -8.971 9.262 1.00 0.00 C ATOM 541 OG SER A 119 59.716 -9.363 10.256 1.00 0.00 O ATOM 0 H SER A 119 58.633 -8.731 7.739 1.00 0.00 H new ATOM 0 HA SER A 119 61.353 -9.717 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.662 -9.126 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.541 -7.905 9.060 1.00 0.00 H new ATOM 0 HG SER A 119 59.870 -8.843 11.072 1.00 0.00 H new ATOM 547 N SER A 120 58.921 -11.512 8.668 1.00 0.00 N ATOM 548 CA SER A 120 58.517 -12.868 9.029 1.00 0.00 C ATOM 549 C SER A 120 58.040 -13.672 7.818 1.00 0.00 C ATOM 550 O SER A 120 57.696 -14.846 7.950 1.00 0.00 O ATOM 551 CB SER A 120 57.409 -12.821 10.084 1.00 0.00 C ATOM 552 OG SER A 120 57.293 -14.061 10.758 1.00 0.00 O ATOM 0 H SER A 120 58.173 -10.821 8.729 1.00 0.00 H new ATOM 0 HA SER A 120 59.396 -13.370 9.434 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.622 -12.031 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.460 -12.572 9.608 1.00 0.00 H new ATOM 0 HG SER A 120 57.424 -14.793 10.120 1.00 0.00 H new ATOM 558 N ASN A 121 58.014 -13.046 6.644 1.00 0.00 N ATOM 559 CA ASN A 121 57.569 -13.736 5.435 1.00 0.00 C ATOM 560 C ASN A 121 58.424 -13.379 4.216 1.00 0.00 C ATOM 561 O ASN A 121 58.165 -13.863 3.114 1.00 0.00 O ATOM 562 CB ASN A 121 56.101 -13.412 5.151 1.00 0.00 C ATOM 563 CG ASN A 121 55.212 -13.645 6.357 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.164 -14.746 6.905 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.501 -12.605 6.776 1.00 0.00 N ATOM 0 H ASN A 121 58.292 -12.075 6.504 1.00 0.00 H new ATOM 0 HA ASN A 121 57.682 -14.805 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.016 -12.372 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.751 -14.026 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.884 -12.701 7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.572 -11.710 6.291 1.00 0.00 H new ATOM 572 N SER A 122 59.437 -12.535 4.405 1.00 0.00 N ATOM 573 CA SER A 122 60.300 -12.138 3.296 1.00 0.00 C ATOM 574 C SER A 122 61.726 -11.853 3.765 1.00 0.00 C ATOM 575 O SER A 122 61.956 -11.488 4.918 1.00 0.00 O ATOM 576 CB SER A 122 59.724 -10.908 2.590 1.00 0.00 C ATOM 577 OG SER A 122 60.038 -10.917 1.208 1.00 0.00 O ATOM 0 H SER A 122 59.678 -12.118 5.304 1.00 0.00 H new ATOM 0 HA SER A 122 60.339 -12.971 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.642 -10.884 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 122 60.120 -10.003 3.050 1.00 0.00 H new ATOM 0 HG SER A 122 59.657 -10.122 0.781 1.00 0.00 H new ATOM 583 N LYS A 123 62.678 -12.023 2.852 1.00 0.00 N ATOM 584 CA LYS A 123 64.087 -11.785 3.148 1.00 0.00 C ATOM 585 C LYS A 123 64.523 -12.530 4.408 1.00 0.00 C ATOM 586 O LYS A 123 64.776 -11.920 5.447 1.00 0.00 O ATOM 587 CB LYS A 123 64.345 -10.285 3.311 1.00 0.00 C ATOM 588 CG LYS A 123 65.806 -9.938 3.543 1.00 0.00 C ATOM 589 CD LYS A 123 65.986 -8.457 3.835 1.00 0.00 C ATOM 590 CE LYS A 123 65.936 -8.173 5.327 1.00 0.00 C ATOM 591 NZ LYS A 123 65.051 -7.019 5.642 1.00 0.00 N ATOM 0 H LYS A 123 62.497 -12.327 1.895 1.00 0.00 H new ATOM 0 HA LYS A 123 64.674 -12.163 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 123 63.995 -9.766 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 123 63.755 -9.913 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 123 66.193 -10.524 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 123 66.390 -10.210 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 123 66.940 -8.119 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 123 65.206 -7.888 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 123 65.580 -9.058 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 123 66.943 -7.969 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.044 -6.857 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 65.405 -6.168 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 64.085 -7.224 5.317 1.00 0.00 H new ATOM 605 N LYS A 124 64.607 -13.852 4.307 1.00 0.00 N ATOM 606 CA LYS A 124 65.012 -14.680 5.436 1.00 0.00 C ATOM 607 C LYS A 124 65.642 -15.982 4.956 1.00 0.00 C ATOM 608 O LYS A 124 66.755 -16.307 5.421 1.00 0.00 O ATOM 609 CB LYS A 124 63.808 -14.981 6.331 1.00 0.00 C ATOM 610 CG LYS A 124 64.162 -15.105 7.806 1.00 0.00 C ATOM 611 CD LYS A 124 63.722 -16.444 8.383 1.00 0.00 C ATOM 612 CE LYS A 124 64.908 -17.253 8.881 1.00 0.00 C ATOM 613 NZ LYS A 124 65.546 -18.036 7.787 1.00 0.00 N ATOM 614 OXT LYS A 124 65.017 -16.667 4.119 1.00 0.00 O ATOM 0 H LYS A 124 64.400 -14.373 3.455 1.00 0.00 H new ATOM 0 HA LYS A 124 65.755 -14.129 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 124 63.068 -14.190 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 124 63.341 -15.908 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 124 65.239 -14.991 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 124 63.689 -14.296 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 124 63.025 -16.276 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 124 63.187 -17.011 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 124 65.644 -16.582 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 124 64.580 -17.931 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 66.225 -18.711 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 64.815 -18.555 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 66.045 -17.390 7.143 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.040 -1.747 3.164 1.00 0.00 ZN