USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 260 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 113 SER OG : rot 180:sc= -1.35 USER MOD Set 1.2: A 117 SER OG : rot 89:sc= 0.509 USER MOD Set 2.1: A 90 CYS SG : rot 146:sc= 1.98 USER MOD Set 2.2: A 93 CYS SG : rot 127:sc= 0.0547 USER MOD Set 2.3: A 110 CYS SG : rot 180:sc= 1.08 USER MOD Set 2.4: A 111 SER OG : rot -75:sc= 0.511 USER MOD Set 2.5: A 114 CYS SG : rot 148:sc= 0.0462 USER MOD Single : A 92 MET CE :methyl -173:sc= 0 (180deg=-0.0568) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 141:sc= -2.85 (180deg=-8.1!) USER MOD Single : A 115 SER OG : rot -97:sc= 0.605 USER MOD Single : A 118 TYR OH : rot -78:sc= 0.105 USER MOD Single : A 119 SER OG : rot 180:sc= -0.795 USER MOD Single : A 120 SER OG : rot 93:sc= 0.00681 USER MOD Single : A 121 ASN :FLIP amide:sc= -2.67 F(o=-5.9!,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 58.360 13.921 2.047 1.00 0.00 N ATOM 40 CA GLU A 86 59.041 12.957 1.188 1.00 0.00 C ATOM 41 C GLU A 86 58.187 11.704 0.983 1.00 0.00 C ATOM 42 O GLU A 86 57.806 11.044 1.950 1.00 0.00 O ATOM 43 CB GLU A 86 60.388 12.568 1.800 1.00 0.00 C ATOM 44 CG GLU A 86 61.476 13.606 1.582 1.00 0.00 C ATOM 45 CD GLU A 86 62.862 12.992 1.537 1.00 0.00 C ATOM 46 OE1 GLU A 86 63.383 12.624 2.611 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.424 12.877 0.428 1.00 0.00 O ATOM 0 HA GLU A 86 59.205 13.426 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.259 12.408 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.712 11.619 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 86 61.286 14.136 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.435 14.345 2.382 1.00 0.00 H new ATOM 54 N PRO A 87 57.871 11.356 -0.280 1.00 0.00 N ATOM 55 CA PRO A 87 57.056 10.173 -0.592 1.00 0.00 C ATOM 56 C PRO A 87 57.703 8.873 -0.123 1.00 0.00 C ATOM 57 O PRO A 87 58.872 8.608 -0.408 1.00 0.00 O ATOM 58 CB PRO A 87 56.955 10.193 -2.123 1.00 0.00 C ATOM 59 CG PRO A 87 57.272 11.595 -2.511 1.00 0.00 C ATOM 60 CD PRO A 87 58.270 12.078 -1.500 1.00 0.00 C ATOM 0 HA PRO A 87 56.091 10.209 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.656 9.490 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.958 9.907 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 87 57.683 11.639 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 87 56.376 12.216 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.292 11.841 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.220 13.159 -1.366 1.00 0.00 H new ATOM 68 N ALA A 88 56.930 8.063 0.593 1.00 0.00 N ATOM 69 CA ALA A 88 57.413 6.784 1.102 1.00 0.00 C ATOM 70 C ALA A 88 56.641 5.630 0.473 1.00 0.00 C ATOM 71 O ALA A 88 55.458 5.437 0.750 1.00 0.00 O ATOM 72 CB ALA A 88 57.294 6.739 2.617 1.00 0.00 C ATOM 0 H ALA A 88 55.961 8.271 0.835 1.00 0.00 H new ATOM 0 HA ALA A 88 58.464 6.681 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.658 5.779 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.888 7.542 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.250 6.864 2.904 1.00 0.00 H new ATOM 78 N VAL A 89 57.314 4.876 -0.390 1.00 0.00 N ATOM 79 CA VAL A 89 56.689 3.751 -1.077 1.00 0.00 C ATOM 80 C VAL A 89 56.668 2.497 -0.209 1.00 0.00 C ATOM 81 O VAL A 89 57.684 2.112 0.369 1.00 0.00 O ATOM 82 CB VAL A 89 57.417 3.432 -2.397 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.598 2.469 -3.243 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.711 4.710 -3.167 1.00 0.00 C ATOM 0 H VAL A 89 58.294 5.024 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 89 55.662 4.050 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 89 58.366 2.951 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.130 2.257 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.445 1.541 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.632 2.918 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.225 4.465 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.776 5.221 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.343 5.361 -2.563 1.00 0.00 H new ATOM 94 N CYS A 90 55.503 1.860 -0.134 1.00 0.00 N ATOM 95 CA CYS A 90 55.345 0.643 0.651 1.00 0.00 C ATOM 96 C CYS A 90 55.889 -0.561 -0.116 1.00 0.00 C ATOM 97 O CYS A 90 55.432 -0.867 -1.214 1.00 0.00 O ATOM 98 CB CYS A 90 53.873 0.425 1.000 1.00 0.00 C ATOM 99 SG CYS A 90 53.585 -0.948 2.139 1.00 0.00 S ATOM 0 H CYS A 90 54.654 2.168 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 90 55.912 0.751 1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.475 1.339 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.315 0.245 0.081 1.00 0.00 H new ATOM 0 HG CYS A 90 52.580 -0.666 2.913 1.00 0.00 H new ATOM 104 N GLU A 91 56.881 -1.225 0.463 1.00 0.00 N ATOM 105 CA GLU A 91 57.511 -2.381 -0.169 1.00 0.00 C ATOM 106 C GLU A 91 56.561 -3.576 -0.277 1.00 0.00 C ATOM 107 O GLU A 91 56.741 -4.440 -1.136 1.00 0.00 O ATOM 108 CB GLU A 91 58.761 -2.783 0.619 1.00 0.00 C ATOM 109 CG GLU A 91 60.054 -2.639 -0.165 1.00 0.00 C ATOM 110 CD GLU A 91 61.275 -2.985 0.663 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.726 -4.148 0.601 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.781 -2.092 1.376 1.00 0.00 O ATOM 0 H GLU A 91 57.270 -0.982 1.374 1.00 0.00 H new ATOM 0 HA GLU A 91 57.784 -2.090 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.823 -2.172 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.657 -3.819 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.018 -3.286 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.143 -1.615 -0.528 1.00 0.00 H new ATOM 119 N MET A 92 55.563 -3.637 0.599 1.00 0.00 N ATOM 120 CA MET A 92 54.614 -4.750 0.592 1.00 0.00 C ATOM 121 C MET A 92 53.427 -4.491 -0.335 1.00 0.00 C ATOM 122 O MET A 92 53.164 -5.268 -1.254 1.00 0.00 O ATOM 123 CB MET A 92 54.107 -5.014 2.011 1.00 0.00 C ATOM 124 CG MET A 92 53.597 -6.430 2.222 1.00 0.00 C ATOM 125 SD MET A 92 54.928 -7.644 2.288 1.00 0.00 S ATOM 126 CE MET A 92 54.003 -9.148 2.585 1.00 0.00 C ATOM 0 H MET A 92 55.389 -2.935 1.319 1.00 0.00 H new ATOM 0 HA MET A 92 55.144 -5.625 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 92 54.913 -4.818 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.306 -4.311 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.026 -6.472 3.149 1.00 0.00 H new ATOM 0 HG3 MET A 92 52.913 -6.690 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.694 -9.969 2.774 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.356 -9.012 3.451 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.395 -9.380 1.711 1.00 0.00 H new ATOM 136 N CYS A 93 52.704 -3.407 -0.078 1.00 0.00 N ATOM 137 CA CYS A 93 51.532 -3.053 -0.874 1.00 0.00 C ATOM 138 C CYS A 93 51.911 -2.223 -2.097 1.00 0.00 C ATOM 139 O CYS A 93 51.297 -2.348 -3.157 1.00 0.00 O ATOM 140 CB CYS A 93 50.533 -2.273 -0.014 1.00 0.00 C ATOM 141 SG CYS A 93 50.244 -2.987 1.624 1.00 0.00 S ATOM 0 H CYS A 93 52.909 -2.755 0.679 1.00 0.00 H new ATOM 0 HA CYS A 93 51.076 -3.980 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 93 50.895 -1.252 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.583 -2.214 -0.545 1.00 0.00 H new ATOM 0 HG CYS A 93 50.433 -2.077 2.533 1.00 0.00 H new ATOM 146 N GLY A 94 52.912 -1.365 -1.941 1.00 0.00 N ATOM 147 CA GLY A 94 53.339 -0.516 -3.039 1.00 0.00 C ATOM 148 C GLY A 94 52.862 0.912 -2.874 1.00 0.00 C ATOM 149 O GLY A 94 53.480 1.844 -3.388 1.00 0.00 O ATOM 0 H GLY A 94 53.436 -1.241 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.427 -0.529 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 94 52.958 -0.919 -3.977 1.00 0.00 H new ATOM 153 N ILE A 95 51.755 1.082 -2.155 1.00 0.00 N ATOM 154 CA ILE A 95 51.184 2.404 -1.920 1.00 0.00 C ATOM 155 C ILE A 95 52.227 3.364 -1.358 1.00 0.00 C ATOM 156 O ILE A 95 52.960 3.026 -0.429 1.00 0.00 O ATOM 157 CB ILE A 95 49.990 2.333 -0.944 1.00 0.00 C ATOM 158 CG1 ILE A 95 48.975 1.284 -1.406 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.327 3.696 -0.817 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.499 1.485 -2.828 1.00 0.00 C ATOM 0 H ILE A 95 51.235 0.318 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 95 50.837 2.774 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 95 50.365 2.037 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.423 0.294 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.114 1.305 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.487 3.629 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.051 4.419 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.968 4.018 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 95 47.782 0.705 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.021 2.461 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.350 1.434 -3.507 1.00 0.00 H new ATOM 172 N VAL A 96 52.291 4.559 -1.936 1.00 0.00 N ATOM 173 CA VAL A 96 53.249 5.572 -1.504 1.00 0.00 C ATOM 174 C VAL A 96 52.558 6.693 -0.731 1.00 0.00 C ATOM 175 O VAL A 96 51.473 7.139 -1.105 1.00 0.00 O ATOM 176 CB VAL A 96 53.994 6.176 -2.710 1.00 0.00 C ATOM 177 CG1 VAL A 96 55.179 7.007 -2.249 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.444 5.081 -3.665 1.00 0.00 C ATOM 0 H VAL A 96 51.690 4.851 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 96 53.965 5.077 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 96 53.306 6.832 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.691 7.424 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.828 7.818 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.870 6.377 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.968 5.528 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 96 55.113 4.396 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.574 4.533 -4.026 1.00 0.00 H new ATOM 188 N GLY A 97 53.196 7.150 0.345 1.00 0.00 N ATOM 189 CA GLY A 97 52.629 8.221 1.148 1.00 0.00 C ATOM 190 C GLY A 97 53.692 9.071 1.819 1.00 0.00 C ATOM 191 O GLY A 97 54.785 8.590 2.115 1.00 0.00 O ATOM 0 H GLY A 97 54.095 6.798 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 97 52.008 8.855 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.977 7.793 1.909 1.00 0.00 H new ATOM 195 N THR A 98 53.367 10.336 2.062 1.00 0.00 N ATOM 196 CA THR A 98 54.301 11.259 2.705 1.00 0.00 C ATOM 197 C THR A 98 54.669 10.774 4.104 1.00 0.00 C ATOM 198 O THR A 98 53.821 10.261 4.831 1.00 0.00 O ATOM 199 CB THR A 98 53.692 12.661 2.783 1.00 0.00 C ATOM 200 OG1 THR A 98 52.537 12.662 3.604 1.00 0.00 O ATOM 201 CG2 THR A 98 53.295 13.216 1.433 1.00 0.00 C ATOM 0 H THR A 98 52.465 10.748 1.824 1.00 0.00 H new ATOM 0 HA THR A 98 55.209 11.297 2.102 1.00 0.00 H new ATOM 0 HB THR A 98 54.475 13.293 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 98 52.164 13.567 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.870 14.212 1.560 1.00 0.00 H new ATOM 0 HG22 THR A 98 54.174 13.275 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.554 12.561 0.974 1.00 0.00 H new ATOM 209 N ARG A 99 55.943 10.920 4.467 1.00 0.00 N ATOM 210 CA ARG A 99 56.447 10.484 5.771 1.00 0.00 C ATOM 211 C ARG A 99 55.467 10.774 6.912 1.00 0.00 C ATOM 212 O ARG A 99 55.236 9.920 7.769 1.00 0.00 O ATOM 213 CB ARG A 99 57.792 11.158 6.055 1.00 0.00 C ATOM 214 CG ARG A 99 58.987 10.234 5.877 1.00 0.00 C ATOM 215 CD ARG A 99 59.388 10.105 4.415 1.00 0.00 C ATOM 216 NE ARG A 99 60.840 10.067 4.251 1.00 0.00 N ATOM 217 CZ ARG A 99 61.457 9.570 3.181 1.00 0.00 C ATOM 218 NH1 ARG A 99 60.755 9.062 2.175 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.781 9.580 3.117 1.00 0.00 N ATOM 0 H ARG A 99 56.653 11.342 3.869 1.00 0.00 H new ATOM 0 HA ARG A 99 56.570 9.402 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.906 12.016 5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.788 11.541 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.830 10.615 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.747 9.249 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 99 58.951 9.198 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 99 58.980 10.944 3.851 1.00 0.00 H new ATOM 0 HE ARG A 99 61.416 10.445 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 99 59.736 9.051 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 99 61.235 8.683 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 99 63.326 9.968 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.255 9.200 2.298 1.00 0.00 H new ATOM 233 N GLU A 100 54.904 11.981 6.934 1.00 0.00 N ATOM 234 CA GLU A 100 53.966 12.371 7.988 1.00 0.00 C ATOM 235 C GLU A 100 52.656 11.578 7.924 1.00 0.00 C ATOM 236 O GLU A 100 51.771 11.766 8.759 1.00 0.00 O ATOM 237 CB GLU A 100 53.663 13.868 7.896 1.00 0.00 C ATOM 238 CG GLU A 100 54.811 14.751 8.357 1.00 0.00 C ATOM 239 CD GLU A 100 54.945 14.791 9.866 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.553 15.812 10.470 1.00 0.00 O ATOM 241 OE2 GLU A 100 55.441 13.802 10.445 1.00 0.00 O ATOM 0 H GLU A 100 55.080 12.704 6.237 1.00 0.00 H new ATOM 0 HA GLU A 100 54.444 12.145 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.416 14.117 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.781 14.089 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.742 14.387 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.659 15.763 7.982 1.00 0.00 H new ATOM 248 N ALA A 101 52.539 10.692 6.943 1.00 0.00 N ATOM 249 CA ALA A 101 51.341 9.876 6.787 1.00 0.00 C ATOM 250 C ALA A 101 51.668 8.385 6.869 1.00 0.00 C ATOM 251 O ALA A 101 50.768 7.549 6.948 1.00 0.00 O ATOM 252 CB ALA A 101 50.656 10.195 5.467 1.00 0.00 C ATOM 0 H ALA A 101 53.260 10.520 6.242 1.00 0.00 H new ATOM 0 HA ALA A 101 50.663 10.115 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.763 9.579 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.375 11.248 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.339 9.987 4.643 1.00 0.00 H new ATOM 258 N PHE A 102 52.958 8.056 6.842 1.00 0.00 N ATOM 259 CA PHE A 102 53.391 6.666 6.904 1.00 0.00 C ATOM 260 C PHE A 102 53.966 6.322 8.276 1.00 0.00 C ATOM 261 O PHE A 102 54.372 7.201 9.036 1.00 0.00 O ATOM 262 CB PHE A 102 54.432 6.387 5.817 1.00 0.00 C ATOM 263 CG PHE A 102 53.880 5.651 4.630 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.846 6.193 3.884 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.396 4.420 4.260 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.338 5.519 2.789 1.00 0.00 C ATOM 267 CE2 PHE A 102 53.892 3.741 3.168 1.00 0.00 C ATOM 268 CZ PHE A 102 52.862 4.291 2.430 1.00 0.00 C ATOM 0 H PHE A 102 53.718 8.733 6.778 1.00 0.00 H new ATOM 0 HA PHE A 102 52.517 6.037 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.857 7.333 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.247 5.806 6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.433 7.152 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.202 3.986 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.532 5.952 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.303 2.781 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.467 3.763 1.575 1.00 0.00 H new ATOM 278 N PHE A 103 53.983 5.027 8.579 1.00 0.00 N ATOM 279 CA PHE A 103 54.490 4.529 9.857 1.00 0.00 C ATOM 280 C PHE A 103 55.806 5.211 10.233 1.00 0.00 C ATOM 281 O PHE A 103 56.856 4.913 9.671 1.00 0.00 O ATOM 282 CB PHE A 103 54.693 3.015 9.768 1.00 0.00 C ATOM 283 CG PHE A 103 54.839 2.335 11.099 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.774 1.327 11.272 1.00 0.00 C ATOM 285 CD2 PHE A 103 54.041 2.695 12.174 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.912 0.692 12.490 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.175 2.062 13.396 1.00 0.00 C ATOM 288 CZ PHE A 103 55.112 1.059 13.553 1.00 0.00 C ATOM 0 H PHE A 103 53.648 4.296 7.951 1.00 0.00 H new ATOM 0 HA PHE A 103 53.759 4.758 10.633 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.847 2.577 9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.582 2.813 9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.402 1.035 10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.307 3.478 12.056 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.645 -0.091 12.611 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.548 2.351 14.227 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.218 0.563 14.506 1.00 0.00 H new ATOM 298 N SER A 104 55.729 6.139 11.184 1.00 0.00 N ATOM 299 CA SER A 104 56.902 6.885 11.638 1.00 0.00 C ATOM 300 C SER A 104 58.031 5.956 12.081 1.00 0.00 C ATOM 301 O SER A 104 59.208 6.262 11.888 1.00 0.00 O ATOM 302 CB SER A 104 56.520 7.815 12.791 1.00 0.00 C ATOM 303 OG SER A 104 55.570 8.782 12.374 1.00 0.00 O ATOM 0 H SER A 104 54.862 6.394 11.658 1.00 0.00 H new ATOM 0 HA SER A 104 57.262 7.473 10.794 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.110 7.229 13.614 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.411 8.316 13.169 1.00 0.00 H new ATOM 0 HG SER A 104 55.341 9.363 13.129 1.00 0.00 H new ATOM 309 N LYS A 105 57.670 4.826 12.682 1.00 0.00 N ATOM 310 CA LYS A 105 58.660 3.862 13.159 1.00 0.00 C ATOM 311 C LYS A 105 59.713 3.569 12.092 1.00 0.00 C ATOM 312 O LYS A 105 60.902 3.810 12.299 1.00 0.00 O ATOM 313 CB LYS A 105 57.971 2.563 13.579 1.00 0.00 C ATOM 314 CG LYS A 105 58.498 1.989 14.884 1.00 0.00 C ATOM 315 CD LYS A 105 58.076 2.835 16.076 1.00 0.00 C ATOM 316 CE LYS A 105 57.467 1.984 17.178 1.00 0.00 C ATOM 317 NZ LYS A 105 58.440 1.711 18.271 1.00 0.00 N ATOM 0 H LYS A 105 56.701 4.554 12.851 1.00 0.00 H new ATOM 0 HA LYS A 105 59.163 4.301 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.901 2.745 13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.097 1.823 12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.129 0.971 15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.586 1.931 14.844 1.00 0.00 H new ATOM 0 HD2 LYS A 105 58.941 3.372 16.466 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.354 3.585 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 105 56.594 2.492 17.588 1.00 0.00 H new ATOM 0 HE3 LYS A 105 57.119 1.040 16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 57.986 1.128 19.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 59.262 1.204 17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.753 2.610 18.690 1.00 0.00 H new ATOM 331 N THR A 106 59.268 3.053 10.952 1.00 0.00 N ATOM 332 CA THR A 106 60.172 2.731 9.854 1.00 0.00 C ATOM 333 C THR A 106 59.949 3.675 8.677 1.00 0.00 C ATOM 334 O THR A 106 60.902 4.201 8.104 1.00 0.00 O ATOM 335 CB THR A 106 59.971 1.281 9.405 1.00 0.00 C ATOM 336 OG1 THR A 106 58.604 1.022 9.142 1.00 0.00 O ATOM 337 CG2 THR A 106 60.442 0.267 10.425 1.00 0.00 C ATOM 0 H THR A 106 58.287 2.849 10.764 1.00 0.00 H new ATOM 0 HA THR A 106 61.195 2.853 10.210 1.00 0.00 H new ATOM 0 HB THR A 106 60.574 1.173 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.497 0.091 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.270 -0.740 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.506 0.407 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 106 59.889 0.402 11.354 1.00 0.00 H new ATOM 345 N LYS A 107 58.679 3.877 8.327 1.00 0.00 N ATOM 346 CA LYS A 107 58.291 4.755 7.219 1.00 0.00 C ATOM 347 C LYS A 107 58.441 4.062 5.865 1.00 0.00 C ATOM 348 O LYS A 107 57.894 4.525 4.865 1.00 0.00 O ATOM 349 CB LYS A 107 59.095 6.059 7.236 1.00 0.00 C ATOM 350 CG LYS A 107 58.897 6.876 8.504 1.00 0.00 C ATOM 351 CD LYS A 107 57.783 7.900 8.335 1.00 0.00 C ATOM 352 CE LYS A 107 58.147 9.248 8.943 1.00 0.00 C ATOM 353 NZ LYS A 107 59.559 9.633 8.661 1.00 0.00 N ATOM 0 H LYS A 107 57.890 3.438 8.802 1.00 0.00 H new ATOM 0 HA LYS A 107 57.237 4.994 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.154 5.825 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 107 58.810 6.664 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 107 58.659 6.211 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.826 7.385 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.566 8.028 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 107 56.873 7.525 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.478 10.014 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.991 9.212 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 59.608 10.653 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.151 9.410 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 59.904 9.105 7.834 1.00 0.00 H new ATOM 367 N ARG A 108 59.172 2.950 5.832 1.00 0.00 N ATOM 368 CA ARG A 108 59.366 2.209 4.594 1.00 0.00 C ATOM 369 C ARG A 108 58.096 1.444 4.227 1.00 0.00 C ATOM 370 O ARG A 108 57.828 1.190 3.053 1.00 0.00 O ATOM 371 CB ARG A 108 60.551 1.249 4.728 1.00 0.00 C ATOM 372 CG ARG A 108 61.830 1.774 4.093 1.00 0.00 C ATOM 373 CD ARG A 108 63.054 1.411 4.919 1.00 0.00 C ATOM 374 NE ARG A 108 63.082 2.117 6.199 1.00 0.00 N ATOM 375 CZ ARG A 108 64.174 2.253 6.948 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.332 1.745 6.545 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.108 2.901 8.103 1.00 0.00 N ATOM 0 H ARG A 108 59.636 2.546 6.645 1.00 0.00 H new ATOM 0 HA ARG A 108 59.584 2.918 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.733 1.054 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.291 0.296 4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 108 61.933 1.364 3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.768 2.857 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.064 0.336 5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.956 1.649 4.354 1.00 0.00 H new ATOM 0 HE ARG A 108 62.213 2.530 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.389 1.247 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.165 1.853 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.221 3.295 8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.944 3.006 8.678 1.00 0.00 H new ATOM 391 N PHE A 109 57.310 1.092 5.243 1.00 0.00 N ATOM 392 CA PHE A 109 56.060 0.371 5.033 1.00 0.00 C ATOM 393 C PHE A 109 54.890 1.139 5.644 1.00 0.00 C ATOM 394 O PHE A 109 55.011 1.725 6.720 1.00 0.00 O ATOM 395 CB PHE A 109 56.144 -1.035 5.631 1.00 0.00 C ATOM 396 CG PHE A 109 57.428 -1.748 5.309 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.563 -2.474 4.134 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.500 -1.693 6.184 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.745 -3.129 3.842 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.684 -2.346 5.897 1.00 0.00 C ATOM 401 CZ PHE A 109 59.806 -3.065 4.724 1.00 0.00 C ATOM 0 H PHE A 109 57.519 1.296 6.220 1.00 0.00 H new ATOM 0 HA PHE A 109 55.892 0.281 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.037 -0.968 6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.306 -1.628 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.737 -2.528 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.410 -1.133 7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.839 -3.691 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.512 -2.294 6.589 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.730 -3.576 4.497 1.00 0.00 H new ATOM 411 N CYS A 110 53.765 1.149 4.936 1.00 0.00 N ATOM 412 CA CYS A 110 52.568 1.859 5.377 1.00 0.00 C ATOM 413 C CYS A 110 52.041 1.354 6.722 1.00 0.00 C ATOM 414 O CYS A 110 51.197 2.004 7.340 1.00 0.00 O ATOM 415 CB CYS A 110 51.475 1.730 4.313 1.00 0.00 C ATOM 416 SG CYS A 110 50.831 0.049 4.111 1.00 0.00 S ATOM 0 H CYS A 110 53.657 0.667 4.043 1.00 0.00 H new ATOM 0 HA CYS A 110 52.845 2.904 5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.651 2.394 4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.872 2.073 3.357 1.00 0.00 H new ATOM 0 HG CYS A 110 49.912 0.044 3.191 1.00 0.00 H new ATOM 421 N SER A 111 52.523 0.199 7.175 1.00 0.00 N ATOM 422 CA SER A 111 52.064 -0.356 8.446 1.00 0.00 C ATOM 423 C SER A 111 53.132 -1.219 9.107 1.00 0.00 C ATOM 424 O SER A 111 53.992 -1.787 8.434 1.00 0.00 O ATOM 425 CB SER A 111 50.797 -1.190 8.232 1.00 0.00 C ATOM 426 OG SER A 111 51.118 -2.532 7.902 1.00 0.00 O ATOM 0 H SER A 111 53.221 -0.364 6.689 1.00 0.00 H new ATOM 0 HA SER A 111 51.848 0.483 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.188 -1.170 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.198 -0.749 7.435 1.00 0.00 H new ATOM 0 HG SER A 111 51.422 -2.576 6.971 1.00 0.00 H new ATOM 432 N VAL A 112 53.054 -1.330 10.431 1.00 0.00 N ATOM 433 CA VAL A 112 53.998 -2.142 11.184 1.00 0.00 C ATOM 434 C VAL A 112 53.880 -3.601 10.763 1.00 0.00 C ATOM 435 O VAL A 112 54.877 -4.323 10.684 1.00 0.00 O ATOM 436 CB VAL A 112 53.762 -2.029 12.703 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.368 -2.518 13.068 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.825 -2.801 13.470 1.00 0.00 C ATOM 0 H VAL A 112 52.346 -0.867 11.001 1.00 0.00 H new ATOM 0 HA VAL A 112 54.999 -1.770 10.966 1.00 0.00 H new ATOM 0 HB VAL A 112 53.837 -0.979 12.984 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.222 -2.430 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.623 -1.914 12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.259 -3.561 12.771 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.641 -2.709 14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.788 -3.852 13.185 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.809 -2.396 13.235 1.00 0.00 H new ATOM 448 N SER A 113 52.650 -4.024 10.475 1.00 0.00 N ATOM 449 CA SER A 113 52.395 -5.390 10.040 1.00 0.00 C ATOM 450 C SER A 113 53.186 -5.682 8.776 1.00 0.00 C ATOM 451 O SER A 113 53.750 -6.763 8.617 1.00 0.00 O ATOM 452 CB SER A 113 50.902 -5.606 9.786 1.00 0.00 C ATOM 453 OG SER A 113 50.599 -6.985 9.663 1.00 0.00 O ATOM 0 H SER A 113 51.817 -3.438 10.536 1.00 0.00 H new ATOM 0 HA SER A 113 52.711 -6.072 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.325 -5.175 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.605 -5.083 8.877 1.00 0.00 H new ATOM 0 HG SER A 113 49.639 -7.096 9.503 1.00 0.00 H new ATOM 459 N CYS A 114 53.236 -4.697 7.886 1.00 0.00 N ATOM 460 CA CYS A 114 53.976 -4.835 6.641 1.00 0.00 C ATOM 461 C CYS A 114 55.459 -5.057 6.928 1.00 0.00 C ATOM 462 O CYS A 114 56.181 -5.620 6.107 1.00 0.00 O ATOM 463 CB CYS A 114 53.796 -3.585 5.774 1.00 0.00 C ATOM 464 SG CYS A 114 52.289 -3.576 4.771 1.00 0.00 S ATOM 0 H CYS A 114 52.773 -3.796 8.005 1.00 0.00 H new ATOM 0 HA CYS A 114 53.587 -5.699 6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.792 -2.708 6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.658 -3.490 5.113 1.00 0.00 H new ATOM 0 HG CYS A 114 51.872 -2.353 4.626 1.00 0.00 H new ATOM 469 N SER A 115 55.905 -4.615 8.104 1.00 0.00 N ATOM 470 CA SER A 115 57.301 -4.770 8.502 1.00 0.00 C ATOM 471 C SER A 115 57.567 -6.187 9.001 1.00 0.00 C ATOM 472 O SER A 115 58.470 -6.873 8.513 1.00 0.00 O ATOM 473 CB SER A 115 57.661 -3.756 9.591 1.00 0.00 C ATOM 474 OG SER A 115 57.363 -4.260 10.882 1.00 0.00 O ATOM 0 H SER A 115 55.319 -4.147 8.796 1.00 0.00 H new ATOM 0 HA SER A 115 57.925 -4.587 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.722 -3.513 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.112 -2.829 9.424 1.00 0.00 H new ATOM 0 HG SER A 115 56.490 -3.922 11.171 1.00 0.00 H new ATOM 480 N ARG A 116 56.758 -6.632 9.958 1.00 0.00 N ATOM 481 CA ARG A 116 56.891 -7.977 10.505 1.00 0.00 C ATOM 482 C ARG A 116 56.466 -9.012 9.471 1.00 0.00 C ATOM 483 O ARG A 116 56.811 -10.192 9.571 1.00 0.00 O ATOM 484 CB ARG A 116 56.041 -8.123 11.769 1.00 0.00 C ATOM 485 CG ARG A 116 54.572 -7.784 11.562 1.00 0.00 C ATOM 486 CD ARG A 116 53.704 -8.371 12.665 1.00 0.00 C ATOM 487 NE ARG A 116 52.284 -8.369 12.314 1.00 0.00 N ATOM 488 CZ ARG A 116 51.469 -7.334 12.513 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.930 -6.204 13.036 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.189 -7.427 12.184 1.00 0.00 N ATOM 0 H ARG A 116 56.005 -6.081 10.370 1.00 0.00 H new ATOM 0 HA ARG A 116 57.937 -8.144 10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.120 -9.147 12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.448 -7.476 12.546 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.447 -6.701 11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.242 -8.166 10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 116 54.024 -9.393 12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.850 -7.800 13.582 1.00 0.00 H new ATOM 0 HE ARG A 116 51.894 -9.211 11.891 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.915 -6.124 13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.299 -5.416 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 116 49.828 -8.291 11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 116 49.564 -6.635 12.336 1.00 0.00 H new ATOM 504 N SER A 117 55.735 -8.549 8.461 1.00 0.00 N ATOM 505 CA SER A 117 55.273 -9.412 7.388 1.00 0.00 C ATOM 506 C SER A 117 56.372 -9.583 6.356 1.00 0.00 C ATOM 507 O SER A 117 56.678 -10.698 5.941 1.00 0.00 O ATOM 508 CB SER A 117 54.023 -8.824 6.732 1.00 0.00 C ATOM 509 OG SER A 117 52.862 -9.124 7.487 1.00 0.00 O ATOM 0 H SER A 117 55.450 -7.574 8.367 1.00 0.00 H new ATOM 0 HA SER A 117 55.020 -10.387 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.131 -7.743 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.917 -9.221 5.723 1.00 0.00 H new ATOM 0 HG SER A 117 52.715 -8.421 8.154 1.00 0.00 H new ATOM 515 N TYR A 118 56.970 -8.467 5.953 1.00 0.00 N ATOM 516 CA TYR A 118 58.050 -8.473 4.975 1.00 0.00 C ATOM 517 C TYR A 118 59.318 -9.086 5.566 1.00 0.00 C ATOM 518 O TYR A 118 60.198 -9.540 4.835 1.00 0.00 O ATOM 519 CB TYR A 118 58.331 -7.034 4.532 1.00 0.00 C ATOM 520 CG TYR A 118 58.884 -6.907 3.134 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.180 -7.305 2.839 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.111 -6.379 2.111 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.689 -7.181 1.562 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.611 -6.253 0.832 1.00 0.00 C ATOM 525 CZ TYR A 118 59.901 -6.655 0.561 1.00 0.00 C ATOM 526 OH TYR A 118 60.405 -6.531 -0.713 1.00 0.00 O ATOM 0 H TYR A 118 56.721 -7.538 6.293 1.00 0.00 H new ATOM 0 HA TYR A 118 57.747 -9.076 4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.407 -6.460 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.036 -6.583 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.800 -7.718 3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.100 -6.061 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.700 -7.495 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 118 57.995 -5.841 0.047 1.00 0.00 H new ATOM 0 HH TYR A 118 60.993 -5.748 -0.758 1.00 0.00 H new ATOM 536 N SER A 119 59.404 -9.090 6.895 1.00 0.00 N ATOM 537 CA SER A 119 60.567 -9.642 7.584 1.00 0.00 C ATOM 538 C SER A 119 60.413 -11.138 7.849 1.00 0.00 C ATOM 539 O SER A 119 61.220 -11.945 7.390 1.00 0.00 O ATOM 540 CB SER A 119 60.806 -8.903 8.902 1.00 0.00 C ATOM 541 OG SER A 119 59.851 -9.278 9.879 1.00 0.00 O ATOM 0 H SER A 119 58.684 -8.718 7.514 1.00 0.00 H new ATOM 0 HA SER A 119 61.428 -9.504 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.809 -9.121 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.755 -7.827 8.734 1.00 0.00 H new ATOM 0 HG SER A 119 60.027 -8.792 10.712 1.00 0.00 H new ATOM 547 N SER A 120 59.384 -11.495 8.607 1.00 0.00 N ATOM 548 CA SER A 120 59.133 -12.893 8.956 1.00 0.00 C ATOM 549 C SER A 120 58.963 -13.771 7.718 1.00 0.00 C ATOM 550 O SER A 120 59.480 -14.887 7.666 1.00 0.00 O ATOM 551 CB SER A 120 57.889 -13.004 9.838 1.00 0.00 C ATOM 552 OG SER A 120 58.132 -12.492 11.137 1.00 0.00 O ATOM 0 H SER A 120 58.707 -10.837 8.994 1.00 0.00 H new ATOM 0 HA SER A 120 60.005 -13.250 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.065 -12.459 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.582 -14.047 9.908 1.00 0.00 H new ATOM 0 HG SER A 120 57.867 -11.549 11.172 1.00 0.00 H new ATOM 558 N ASN A 121 58.204 -13.283 6.743 1.00 0.00 N ATOM 559 CA ASN A 121 57.923 -14.036 5.525 1.00 0.00 C ATOM 560 C ASN A 121 59.154 -14.163 4.639 1.00 0.00 C ATOM 561 O ASN A 121 59.040 -14.395 3.436 1.00 0.00 O ATOM 562 CB ASN A 121 56.767 -13.376 4.754 1.00 0.00 C ATOM 563 CG ASN A 121 57.214 -12.268 3.809 1.00 0.00 C ATOM 564 OD1 ASN A 121 58.271 -11.551 4.179 1.00 0.00 O flip ATOM 565 ND2 ASN A 121 56.608 -12.056 2.759 1.00 0.00 N flip ATOM 0 H ASN A 121 57.769 -12.361 6.773 1.00 0.00 H new ATOM 0 HA ASN A 121 57.630 -15.045 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.242 -14.140 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.053 -12.966 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 121 55.801 -12.629 2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 121 56.912 -11.307 2.137 1.00 0.00 H new