USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=15 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 90 CYS SG : rot -151:sc= 0.722 USER MOD Set 1.2: A 93 CYS SG : rot 138:sc= 0.588 USER MOD Set 1.3: A 110 CYS SG : rot -69:sc= 0.345 USER MOD Set 1.4: A 111 SER OG : rot -78:sc= 1.17 USER MOD Set 1.5: A 114 CYS SG : rot -129:sc= 1.16 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -134:sc= -1.05 (180deg=-2.5!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -150:sc= -1.22 USER MOD Single : A 117 SER OG : rot 88:sc= 0.537 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= -0.041 X(o=-0.041,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 57.646 14.439 1.922 1.00 0.00 N ATOM 40 CA GLU A 86 58.463 13.233 1.885 1.00 0.00 C ATOM 41 C GLU A 86 57.685 12.087 1.240 1.00 0.00 C ATOM 42 O GLU A 86 56.665 11.661 1.773 1.00 0.00 O ATOM 43 CB GLU A 86 58.920 12.851 3.293 1.00 0.00 C ATOM 44 CG GLU A 86 60.381 13.181 3.559 1.00 0.00 C ATOM 45 CD GLU A 86 61.330 12.330 2.737 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.989 11.444 3.319 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.412 12.551 1.510 1.00 0.00 O ATOM 0 HA GLU A 86 59.349 13.431 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 58.298 13.370 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 86 58.763 11.783 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.558 14.233 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 86 60.595 13.038 4.618 1.00 0.00 H new ATOM 54 N PRO A 87 58.139 11.566 0.092 1.00 0.00 N ATOM 55 CA PRO A 87 57.460 10.475 -0.595 1.00 0.00 C ATOM 56 C PRO A 87 57.988 9.104 -0.183 1.00 0.00 C ATOM 57 O PRO A 87 59.146 8.774 -0.436 1.00 0.00 O ATOM 58 CB PRO A 87 57.798 10.764 -2.053 1.00 0.00 C ATOM 59 CG PRO A 87 59.165 11.376 -2.014 1.00 0.00 C ATOM 60 CD PRO A 87 59.340 11.996 -0.644 1.00 0.00 C ATOM 0 HA PRO A 87 56.394 10.434 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.790 9.852 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 87 57.073 11.444 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 87 59.930 10.621 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 87 59.271 12.130 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 87 60.252 11.647 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 87 59.406 13.082 -0.702 1.00 0.00 H new ATOM 68 N ALA A 88 57.128 8.307 0.444 1.00 0.00 N ATOM 69 CA ALA A 88 57.506 6.968 0.882 1.00 0.00 C ATOM 70 C ALA A 88 56.816 5.910 0.028 1.00 0.00 C ATOM 71 O ALA A 88 55.819 6.193 -0.633 1.00 0.00 O ATOM 72 CB ALA A 88 57.164 6.777 2.353 1.00 0.00 C ATOM 0 H ALA A 88 56.165 8.565 0.660 1.00 0.00 H new ATOM 0 HA ALA A 88 58.583 6.855 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.452 5.773 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.703 7.512 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.092 6.909 2.497 1.00 0.00 H new ATOM 78 N VAL A 89 57.348 4.692 0.041 1.00 0.00 N ATOM 79 CA VAL A 89 56.770 3.604 -0.740 1.00 0.00 C ATOM 80 C VAL A 89 56.784 2.293 0.037 1.00 0.00 C ATOM 81 O VAL A 89 57.826 1.867 0.536 1.00 0.00 O ATOM 82 CB VAL A 89 57.523 3.402 -2.070 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.790 2.402 -2.952 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.704 4.727 -2.794 1.00 0.00 C ATOM 0 H VAL A 89 58.174 4.434 0.581 1.00 0.00 H new ATOM 0 HA VAL A 89 55.739 3.887 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 89 58.512 3.001 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.336 2.272 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.721 1.444 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.787 2.772 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.238 4.560 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.727 5.162 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.277 5.409 -2.166 1.00 0.00 H new ATOM 94 N CYS A 90 55.623 1.652 0.127 1.00 0.00 N ATOM 95 CA CYS A 90 55.506 0.380 0.837 1.00 0.00 C ATOM 96 C CYS A 90 55.993 -0.768 -0.041 1.00 0.00 C ATOM 97 O CYS A 90 55.398 -1.068 -1.073 1.00 0.00 O ATOM 98 CB CYS A 90 54.059 0.133 1.267 1.00 0.00 C ATOM 99 SG CYS A 90 53.857 -1.253 2.412 1.00 0.00 S ATOM 0 H CYS A 90 54.751 1.990 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 90 56.131 0.430 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.671 1.037 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.454 -0.051 0.380 1.00 0.00 H new ATOM 0 HG CYS A 90 52.678 -1.778 2.255 1.00 0.00 H new ATOM 104 N GLU A 91 57.091 -1.391 0.365 1.00 0.00 N ATOM 105 CA GLU A 91 57.676 -2.493 -0.391 1.00 0.00 C ATOM 106 C GLU A 91 56.702 -3.658 -0.569 1.00 0.00 C ATOM 107 O GLU A 91 56.880 -4.485 -1.463 1.00 0.00 O ATOM 108 CB GLU A 91 58.942 -2.984 0.314 1.00 0.00 C ATOM 109 CG GLU A 91 60.052 -1.949 0.363 1.00 0.00 C ATOM 110 CD GLU A 91 60.686 -1.707 -0.992 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.908 -1.926 -1.124 1.00 0.00 O ATOM 112 OE2 GLU A 91 59.960 -1.298 -1.923 1.00 0.00 O ATOM 0 H GLU A 91 57.597 -1.151 1.217 1.00 0.00 H new ATOM 0 HA GLU A 91 57.919 -2.116 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.689 -3.281 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.309 -3.874 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.651 -1.010 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.819 -2.277 1.065 1.00 0.00 H new ATOM 119 N MET A 92 55.691 -3.744 0.292 1.00 0.00 N ATOM 120 CA MET A 92 54.729 -4.843 0.214 1.00 0.00 C ATOM 121 C MET A 92 53.480 -4.475 -0.587 1.00 0.00 C ATOM 122 O MET A 92 53.148 -5.142 -1.567 1.00 0.00 O ATOM 123 CB MET A 92 54.326 -5.288 1.621 1.00 0.00 C ATOM 124 CG MET A 92 53.953 -6.759 1.710 1.00 0.00 C ATOM 125 SD MET A 92 55.322 -7.849 1.274 1.00 0.00 S ATOM 126 CE MET A 92 54.648 -9.443 1.737 1.00 0.00 C ATOM 0 H MET A 92 55.517 -3.076 1.043 1.00 0.00 H new ATOM 0 HA MET A 92 55.222 -5.661 -0.310 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.150 -5.089 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.481 -4.686 1.955 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.622 -6.985 2.723 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.110 -6.957 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 92 55.380 -10.223 1.527 1.00 0.00 H new ATOM 0 HE2 MET A 92 54.413 -9.443 2.801 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.740 -9.634 1.165 1.00 0.00 H new ATOM 136 N CYS A 93 52.774 -3.434 -0.157 1.00 0.00 N ATOM 137 CA CYS A 93 51.547 -3.011 -0.828 1.00 0.00 C ATOM 138 C CYS A 93 51.832 -2.175 -2.072 1.00 0.00 C ATOM 139 O CYS A 93 51.022 -2.136 -2.998 1.00 0.00 O ATOM 140 CB CYS A 93 50.672 -2.202 0.133 1.00 0.00 C ATOM 141 SG CYS A 93 50.435 -2.971 1.752 1.00 0.00 S ATOM 0 H CYS A 93 53.029 -2.868 0.652 1.00 0.00 H new ATOM 0 HA CYS A 93 51.024 -3.915 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.121 -1.219 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.697 -2.045 -0.328 1.00 0.00 H new ATOM 0 HG CYS A 93 50.527 -2.066 2.680 1.00 0.00 H new ATOM 146 N GLY A 94 52.969 -1.492 -2.084 1.00 0.00 N ATOM 147 CA GLY A 94 53.311 -0.653 -3.217 1.00 0.00 C ATOM 148 C GLY A 94 52.587 0.677 -3.170 1.00 0.00 C ATOM 149 O GLY A 94 52.495 1.380 -4.176 1.00 0.00 O ATOM 0 H GLY A 94 53.659 -1.503 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.387 -0.481 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.060 -1.171 -4.142 1.00 0.00 H new ATOM 153 N ILE A 95 52.079 1.022 -1.991 1.00 0.00 N ATOM 154 CA ILE A 95 51.367 2.274 -1.798 1.00 0.00 C ATOM 155 C ILE A 95 52.331 3.378 -1.410 1.00 0.00 C ATOM 156 O ILE A 95 53.178 3.202 -0.535 1.00 0.00 O ATOM 157 CB ILE A 95 50.281 2.144 -0.713 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.365 0.958 -1.017 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.475 3.430 -0.607 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.670 1.059 -2.357 1.00 0.00 C ATOM 0 H ILE A 95 52.150 0.446 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 95 50.886 2.523 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 95 50.769 1.967 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.952 0.040 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.613 0.879 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.713 3.319 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.138 4.255 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.996 3.639 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.037 0.184 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.056 1.959 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.415 1.107 -3.151 1.00 0.00 H new ATOM 172 N VAL A 96 52.201 4.511 -2.074 1.00 0.00 N ATOM 173 CA VAL A 96 53.061 5.648 -1.809 1.00 0.00 C ATOM 174 C VAL A 96 52.353 6.656 -0.912 1.00 0.00 C ATOM 175 O VAL A 96 51.216 7.043 -1.180 1.00 0.00 O ATOM 176 CB VAL A 96 53.485 6.334 -3.118 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.722 7.182 -2.892 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.739 5.307 -4.211 1.00 0.00 C ATOM 0 H VAL A 96 51.505 4.668 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 96 53.952 5.279 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 96 52.671 6.982 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.010 7.661 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.508 7.945 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.538 6.549 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.038 5.817 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.534 4.630 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 96 52.828 4.737 -4.393 1.00 0.00 H new ATOM 188 N GLY A 97 53.027 7.084 0.153 1.00 0.00 N ATOM 189 CA GLY A 97 52.433 8.046 1.061 1.00 0.00 C ATOM 190 C GLY A 97 53.461 8.930 1.742 1.00 0.00 C ATOM 191 O GLY A 97 54.598 8.514 1.968 1.00 0.00 O ATOM 0 H GLY A 97 53.969 6.782 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.731 8.672 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.859 7.515 1.820 1.00 0.00 H new ATOM 195 N THR A 98 53.054 10.148 2.076 1.00 0.00 N ATOM 196 CA THR A 98 53.932 11.099 2.747 1.00 0.00 C ATOM 197 C THR A 98 54.455 10.527 4.064 1.00 0.00 C ATOM 198 O THR A 98 53.739 9.820 4.773 1.00 0.00 O ATOM 199 CB THR A 98 53.192 12.412 3.013 1.00 0.00 C ATOM 200 OG1 THR A 98 52.053 12.188 3.824 1.00 0.00 O ATOM 201 CG2 THR A 98 52.728 13.107 1.752 1.00 0.00 C ATOM 0 H THR A 98 52.115 10.502 1.892 1.00 0.00 H new ATOM 0 HA THR A 98 54.780 11.292 2.090 1.00 0.00 H new ATOM 0 HB THR A 98 53.916 13.054 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.594 13.039 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.211 14.030 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.590 13.339 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.048 12.454 1.206 1.00 0.00 H new ATOM 209 N ARG A 99 55.711 10.834 4.381 1.00 0.00 N ATOM 210 CA ARG A 99 56.346 10.351 5.607 1.00 0.00 C ATOM 211 C ARG A 99 55.435 10.499 6.827 1.00 0.00 C ATOM 212 O ARG A 99 55.292 9.567 7.619 1.00 0.00 O ATOM 213 CB ARG A 99 57.651 11.113 5.851 1.00 0.00 C ATOM 214 CG ARG A 99 58.904 10.305 5.550 1.00 0.00 C ATOM 215 CD ARG A 99 60.158 11.046 5.989 1.00 0.00 C ATOM 216 NE ARG A 99 60.742 10.474 7.202 1.00 0.00 N ATOM 217 CZ ARG A 99 61.747 9.599 7.207 1.00 0.00 C ATOM 218 NH1 ARG A 99 62.270 9.163 6.068 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.229 9.155 8.361 1.00 0.00 N ATOM 0 H ARG A 99 56.313 11.419 3.802 1.00 0.00 H new ATOM 0 HA ARG A 99 56.549 9.289 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.655 12.013 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.681 11.438 6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 99 58.850 9.343 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.957 10.097 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 99 60.894 11.018 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.916 12.094 6.164 1.00 0.00 H new ATOM 0 HE ARG A 99 60.356 10.763 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.903 9.498 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 99 63.039 8.493 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 99 61.830 9.484 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 99 62.998 8.485 8.368 1.00 0.00 H new ATOM 233 N GLU A 100 54.836 11.676 6.983 1.00 0.00 N ATOM 234 CA GLU A 100 53.957 11.945 8.119 1.00 0.00 C ATOM 235 C GLU A 100 52.706 11.068 8.097 1.00 0.00 C ATOM 236 O GLU A 100 51.970 11.003 9.081 1.00 0.00 O ATOM 237 CB GLU A 100 53.554 13.420 8.130 1.00 0.00 C ATOM 238 CG GLU A 100 52.965 13.881 9.452 1.00 0.00 C ATOM 239 CD GLU A 100 54.020 14.085 10.521 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.302 13.124 11.268 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.565 15.205 10.612 1.00 0.00 O ATOM 0 H GLU A 100 54.942 12.459 6.338 1.00 0.00 H new ATOM 0 HA GLU A 100 54.513 11.706 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 100 54.429 14.028 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.827 13.595 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 100 52.424 14.814 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 100 52.240 13.145 9.799 1.00 0.00 H new ATOM 248 N ALA A 101 52.472 10.389 6.981 1.00 0.00 N ATOM 249 CA ALA A 101 51.313 9.516 6.852 1.00 0.00 C ATOM 250 C ALA A 101 51.718 8.051 6.970 1.00 0.00 C ATOM 251 O ALA A 101 50.887 7.186 7.251 1.00 0.00 O ATOM 252 CB ALA A 101 50.607 9.767 5.528 1.00 0.00 C ATOM 0 H ALA A 101 53.068 10.426 6.154 1.00 0.00 H new ATOM 0 HA ALA A 101 50.624 9.743 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.743 9.108 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.277 10.805 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.295 9.569 4.706 1.00 0.00 H new ATOM 258 N PHE A 102 52.998 7.778 6.737 1.00 0.00 N ATOM 259 CA PHE A 102 53.514 6.417 6.801 1.00 0.00 C ATOM 260 C PHE A 102 54.156 6.111 8.152 1.00 0.00 C ATOM 261 O PHE A 102 54.568 7.011 8.883 1.00 0.00 O ATOM 262 CB PHE A 102 54.531 6.190 5.683 1.00 0.00 C ATOM 263 CG PHE A 102 53.957 5.478 4.494 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.558 4.334 3.997 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.812 5.953 3.876 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.027 3.675 2.904 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.277 5.300 2.784 1.00 0.00 C ATOM 268 CZ PHE A 102 52.884 4.160 2.297 1.00 0.00 C ATOM 0 H PHE A 102 53.697 8.483 6.502 1.00 0.00 H new ATOM 0 HA PHE A 102 52.668 5.741 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.930 7.153 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.368 5.612 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.452 3.952 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.332 6.844 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.504 2.783 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.384 5.681 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.466 3.648 1.443 1.00 0.00 H new ATOM 278 N PHE A 103 54.205 4.821 8.475 1.00 0.00 N ATOM 279 CA PHE A 103 54.761 4.349 9.742 1.00 0.00 C ATOM 280 C PHE A 103 56.065 5.075 10.072 1.00 0.00 C ATOM 281 O PHE A 103 57.136 4.721 9.580 1.00 0.00 O ATOM 282 CB PHE A 103 55.009 2.842 9.658 1.00 0.00 C ATOM 283 CG PHE A 103 55.085 2.152 10.989 1.00 0.00 C ATOM 284 CD1 PHE A 103 56.027 1.161 11.209 1.00 0.00 C ATOM 285 CD2 PHE A 103 54.214 2.484 12.014 1.00 0.00 C ATOM 286 CE1 PHE A 103 56.100 0.513 12.425 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.283 1.840 13.235 1.00 0.00 C ATOM 288 CZ PHE A 103 55.228 0.853 13.440 1.00 0.00 C ATOM 0 H PHE A 103 53.862 4.076 7.869 1.00 0.00 H new ATOM 0 HA PHE A 103 54.046 4.560 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.211 2.387 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.940 2.669 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.713 0.892 10.419 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.473 3.254 11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.838 -0.259 12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.600 2.108 14.027 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.284 0.348 14.393 1.00 0.00 H new ATOM 298 N SER A 104 55.944 6.109 10.901 1.00 0.00 N ATOM 299 CA SER A 104 57.082 6.928 11.308 1.00 0.00 C ATOM 300 C SER A 104 58.186 6.098 11.954 1.00 0.00 C ATOM 301 O SER A 104 59.354 6.486 11.930 1.00 0.00 O ATOM 302 CB SER A 104 56.623 8.018 12.277 1.00 0.00 C ATOM 303 OG SER A 104 56.058 7.454 13.449 1.00 0.00 O ATOM 0 H SER A 104 55.056 6.402 11.309 1.00 0.00 H new ATOM 0 HA SER A 104 57.494 7.382 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.469 8.650 12.545 1.00 0.00 H new ATOM 0 HB3 SER A 104 55.889 8.659 11.788 1.00 0.00 H new ATOM 0 HG SER A 104 55.774 8.171 14.053 1.00 0.00 H new ATOM 309 N LYS A 105 57.818 4.964 12.540 1.00 0.00 N ATOM 310 CA LYS A 105 58.793 4.099 13.198 1.00 0.00 C ATOM 311 C LYS A 105 60.014 3.864 12.310 1.00 0.00 C ATOM 312 O LYS A 105 61.151 4.051 12.742 1.00 0.00 O ATOM 313 CB LYS A 105 58.156 2.760 13.580 1.00 0.00 C ATOM 314 CG LYS A 105 58.523 2.296 14.981 1.00 0.00 C ATOM 315 CD LYS A 105 58.185 0.827 15.195 1.00 0.00 C ATOM 316 CE LYS A 105 59.436 -0.035 15.255 1.00 0.00 C ATOM 317 NZ LYS A 105 59.289 -1.281 14.454 1.00 0.00 N ATOM 0 H LYS A 105 56.857 4.623 12.574 1.00 0.00 H new ATOM 0 HA LYS A 105 59.123 4.605 14.105 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.072 2.847 13.506 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.464 2.001 12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.589 2.452 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 105 57.993 2.902 15.716 1.00 0.00 H new ATOM 0 HD2 LYS A 105 57.621 0.715 16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.542 0.480 14.386 1.00 0.00 H new ATOM 0 HE2 LYS A 105 60.288 0.536 14.886 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.650 -0.293 16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 60.163 -1.841 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 58.491 -1.838 14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 59.110 -1.035 13.459 1.00 0.00 H new ATOM 331 N THR A 106 59.773 3.450 11.069 1.00 0.00 N ATOM 332 CA THR A 106 60.861 3.188 10.132 1.00 0.00 C ATOM 333 C THR A 106 60.664 3.919 8.802 1.00 0.00 C ATOM 334 O THR A 106 61.629 4.166 8.079 1.00 0.00 O ATOM 335 CB THR A 106 60.987 1.685 9.880 1.00 0.00 C ATOM 336 OG1 THR A 106 59.716 1.060 9.928 1.00 0.00 O ATOM 337 CG2 THR A 106 61.881 0.984 10.880 1.00 0.00 C ATOM 0 H THR A 106 58.840 3.289 10.691 1.00 0.00 H new ATOM 0 HA THR A 106 61.778 3.565 10.586 1.00 0.00 H new ATOM 0 HB THR A 106 61.435 1.594 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.817 0.099 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 106 61.927 -0.079 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.883 1.410 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.477 1.116 11.884 1.00 0.00 H new ATOM 345 N LYS A 107 59.417 4.245 8.470 1.00 0.00 N ATOM 346 CA LYS A 107 59.120 4.925 7.212 1.00 0.00 C ATOM 347 C LYS A 107 59.550 4.049 6.039 1.00 0.00 C ATOM 348 O LYS A 107 60.258 4.492 5.134 1.00 0.00 O ATOM 349 CB LYS A 107 59.825 6.282 7.151 1.00 0.00 C ATOM 350 CG LYS A 107 59.475 7.200 8.311 1.00 0.00 C ATOM 351 CD LYS A 107 58.141 7.901 8.093 1.00 0.00 C ATOM 352 CE LYS A 107 58.135 9.304 8.688 1.00 0.00 C ATOM 353 NZ LYS A 107 58.951 9.398 9.933 1.00 0.00 N ATOM 0 H LYS A 107 58.601 4.051 9.050 1.00 0.00 H new ATOM 0 HA LYS A 107 58.046 5.099 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.903 6.122 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.564 6.776 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.435 6.621 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 107 60.261 7.945 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.931 7.958 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.343 7.312 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.519 10.010 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.109 9.598 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 58.417 9.915 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.169 8.442 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 59.837 9.903 9.730 1.00 0.00 H new ATOM 367 N ARG A 108 59.049 2.820 6.041 1.00 0.00 N ATOM 368 CA ARG A 108 59.286 1.865 4.967 1.00 0.00 C ATOM 369 C ARG A 108 57.940 1.382 4.439 1.00 0.00 C ATOM 370 O ARG A 108 57.542 1.642 3.304 1.00 0.00 O ATOM 371 CB ARG A 108 60.119 0.685 5.469 1.00 0.00 C ATOM 372 CG ARG A 108 61.585 1.026 5.681 1.00 0.00 C ATOM 373 CD ARG A 108 62.283 -0.023 6.531 1.00 0.00 C ATOM 374 NE ARG A 108 62.271 -1.338 5.893 1.00 0.00 N ATOM 375 CZ ARG A 108 63.351 -1.940 5.392 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.539 -1.349 5.439 1.00 0.00 N ATOM 377 NH2 ARG A 108 63.239 -3.139 4.838 1.00 0.00 N ATOM 0 H ARG A 108 58.463 2.456 6.793 1.00 0.00 H new ATOM 0 HA ARG A 108 59.845 2.348 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 108 59.698 0.326 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.044 -0.133 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.085 1.105 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.667 2.000 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.313 0.283 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 108 61.794 -0.087 7.503 1.00 0.00 H new ATOM 0 HE ARG A 108 61.379 -1.827 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.633 -0.425 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.358 -1.819 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 108 62.329 -3.598 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.063 -3.602 4.454 1.00 0.00 H new ATOM 391 N PHE A 109 57.261 0.674 5.336 1.00 0.00 N ATOM 392 CA PHE A 109 55.943 0.110 5.077 1.00 0.00 C ATOM 393 C PHE A 109 54.859 0.980 5.703 1.00 0.00 C ATOM 394 O PHE A 109 55.067 1.581 6.758 1.00 0.00 O ATOM 395 CB PHE A 109 55.857 -1.315 5.620 1.00 0.00 C ATOM 396 CG PHE A 109 57.064 -2.148 5.302 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.147 -2.840 4.105 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.117 -2.236 6.198 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.259 -3.605 3.809 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.231 -3.000 5.907 1.00 0.00 C ATOM 401 CZ PHE A 109 59.302 -3.685 4.710 1.00 0.00 C ATOM 0 H PHE A 109 57.615 0.474 6.272 1.00 0.00 H new ATOM 0 HA PHE A 109 55.786 0.082 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 109 55.726 -1.276 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 109 54.972 -1.800 5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.334 -2.781 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.067 -1.701 7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.312 -4.140 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.045 -3.061 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.172 -4.282 4.479 1.00 0.00 H new ATOM 411 N CYS A 110 53.708 1.060 5.042 1.00 0.00 N ATOM 412 CA CYS A 110 52.592 1.871 5.515 1.00 0.00 C ATOM 413 C CYS A 110 52.026 1.375 6.846 1.00 0.00 C ATOM 414 O CYS A 110 51.202 2.054 7.461 1.00 0.00 O ATOM 415 CB CYS A 110 51.488 1.867 4.455 1.00 0.00 C ATOM 416 SG CYS A 110 50.815 0.224 4.098 1.00 0.00 S ATOM 0 H CYS A 110 53.524 0.567 4.168 1.00 0.00 H new ATOM 0 HA CYS A 110 52.965 2.881 5.683 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.678 2.516 4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.882 2.295 3.533 1.00 0.00 H new ATOM 0 HG CYS A 110 51.716 -0.492 3.494 1.00 0.00 H new ATOM 421 N SER A 111 52.452 0.198 7.291 1.00 0.00 N ATOM 422 CA SER A 111 51.955 -0.352 8.548 1.00 0.00 C ATOM 423 C SER A 111 52.983 -1.263 9.206 1.00 0.00 C ATOM 424 O SER A 111 53.831 -1.851 8.534 1.00 0.00 O ATOM 425 CB SER A 111 50.660 -1.130 8.307 1.00 0.00 C ATOM 426 OG SER A 111 50.931 -2.458 7.890 1.00 0.00 O ATOM 0 H SER A 111 53.132 -0.388 6.807 1.00 0.00 H new ATOM 0 HA SER A 111 51.761 0.484 9.220 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.067 -1.147 9.221 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.063 -0.622 7.549 1.00 0.00 H new ATOM 0 HG SER A 111 51.185 -2.458 6.944 1.00 0.00 H new ATOM 432 N VAL A 112 52.892 -1.385 10.527 1.00 0.00 N ATOM 433 CA VAL A 112 53.804 -2.235 11.279 1.00 0.00 C ATOM 434 C VAL A 112 53.667 -3.685 10.831 1.00 0.00 C ATOM 435 O VAL A 112 54.643 -4.435 10.808 1.00 0.00 O ATOM 436 CB VAL A 112 53.543 -2.141 12.795 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.129 -2.596 13.128 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.570 -2.958 13.566 1.00 0.00 C ATOM 0 H VAL A 112 52.195 -0.905 11.097 1.00 0.00 H new ATOM 0 HA VAL A 112 54.817 -1.884 11.081 1.00 0.00 H new ATOM 0 HB VAL A 112 53.642 -1.098 13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 112 51.967 -2.521 14.203 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.411 -1.962 12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 112 51.996 -3.631 12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.370 -2.879 14.635 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.507 -4.003 13.261 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.570 -2.578 13.355 1.00 0.00 H new ATOM 448 N SER A 113 52.448 -4.068 10.462 1.00 0.00 N ATOM 449 CA SER A 113 52.181 -5.424 10.000 1.00 0.00 C ATOM 450 C SER A 113 52.952 -5.701 8.716 1.00 0.00 C ATOM 451 O SER A 113 53.526 -6.776 8.541 1.00 0.00 O ATOM 452 CB SER A 113 50.682 -5.624 9.767 1.00 0.00 C ATOM 453 OG SER A 113 50.366 -7.000 9.635 1.00 0.00 O ATOM 0 H SER A 113 51.631 -3.458 10.474 1.00 0.00 H new ATOM 0 HA SER A 113 52.510 -6.124 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.121 -5.197 10.598 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.376 -5.089 8.868 1.00 0.00 H new ATOM 0 HG SER A 113 49.402 -7.102 9.488 1.00 0.00 H new ATOM 459 N CYS A 114 52.970 -4.716 7.823 1.00 0.00 N ATOM 460 CA CYS A 114 53.682 -4.845 6.559 1.00 0.00 C ATOM 461 C CYS A 114 55.177 -5.031 6.803 1.00 0.00 C ATOM 462 O CYS A 114 55.877 -5.647 6.000 1.00 0.00 O ATOM 463 CB CYS A 114 53.452 -3.608 5.690 1.00 0.00 C ATOM 464 SG CYS A 114 51.801 -3.503 4.962 1.00 0.00 S ATOM 0 H CYS A 114 52.499 -3.820 7.953 1.00 0.00 H new ATOM 0 HA CYS A 114 53.297 -5.722 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.627 -2.717 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.190 -3.600 4.888 1.00 0.00 H new ATOM 0 HG CYS A 114 51.903 -3.282 3.685 1.00 0.00 H new ATOM 469 N SER A 115 55.656 -4.493 7.922 1.00 0.00 N ATOM 470 CA SER A 115 57.066 -4.595 8.283 1.00 0.00 C ATOM 471 C SER A 115 57.376 -5.968 8.872 1.00 0.00 C ATOM 472 O SER A 115 58.292 -6.660 8.421 1.00 0.00 O ATOM 473 CB SER A 115 57.439 -3.497 9.284 1.00 0.00 C ATOM 474 OG SER A 115 56.304 -2.733 9.653 1.00 0.00 O ATOM 0 H SER A 115 55.086 -3.981 8.595 1.00 0.00 H new ATOM 0 HA SER A 115 57.660 -4.466 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.883 -3.947 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 115 58.194 -2.844 8.847 1.00 0.00 H new ATOM 0 HG SER A 115 56.582 -1.819 9.870 1.00 0.00 H new ATOM 480 N ARG A 116 56.592 -6.367 9.869 1.00 0.00 N ATOM 481 CA ARG A 116 56.772 -7.665 10.505 1.00 0.00 C ATOM 482 C ARG A 116 56.410 -8.786 9.537 1.00 0.00 C ATOM 483 O ARG A 116 56.822 -9.931 9.714 1.00 0.00 O ATOM 484 CB ARG A 116 55.913 -7.764 11.767 1.00 0.00 C ATOM 485 CG ARG A 116 54.431 -7.545 11.512 1.00 0.00 C ATOM 486 CD ARG A 116 53.696 -8.863 11.329 1.00 0.00 C ATOM 487 NE ARG A 116 53.371 -9.491 12.607 1.00 0.00 N ATOM 488 CZ ARG A 116 52.474 -10.464 12.749 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.812 -10.925 11.696 1.00 0.00 N ATOM 490 NH2 ARG A 116 52.239 -10.979 13.948 1.00 0.00 N ATOM 0 H ARG A 116 55.828 -5.811 10.252 1.00 0.00 H new ATOM 0 HA ARG A 116 57.820 -7.769 10.785 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.055 -8.747 12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.261 -7.028 12.492 1.00 0.00 H new ATOM 0 HG2 ARG A 116 53.994 -6.997 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.301 -6.928 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.779 -8.691 10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.311 -9.542 10.738 1.00 0.00 H new ATOM 0 HE ARG A 116 53.861 -9.165 13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.989 -10.534 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.126 -11.671 11.811 1.00 0.00 H new ATOM 0 HH21 ARG A 116 52.746 -10.629 14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 116 51.552 -11.725 14.057 1.00 0.00 H new ATOM 504 N SER A 117 55.651 -8.441 8.500 1.00 0.00 N ATOM 505 CA SER A 117 55.249 -9.410 7.492 1.00 0.00 C ATOM 506 C SER A 117 56.361 -9.585 6.467 1.00 0.00 C ATOM 507 O SER A 117 56.735 -10.705 6.123 1.00 0.00 O ATOM 508 CB SER A 117 53.962 -8.959 6.798 1.00 0.00 C ATOM 509 OG SER A 117 52.824 -9.271 7.582 1.00 0.00 O ATOM 0 H SER A 117 55.303 -7.496 8.338 1.00 0.00 H new ATOM 0 HA SER A 117 55.062 -10.365 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.000 -7.885 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.881 -9.443 5.825 1.00 0.00 H new ATOM 0 HG SER A 117 52.642 -8.534 8.202 1.00 0.00 H new ATOM 515 N TYR A 118 56.897 -8.465 5.994 1.00 0.00 N ATOM 516 CA TYR A 118 57.978 -8.482 5.018 1.00 0.00 C ATOM 517 C TYR A 118 59.247 -9.072 5.626 1.00 0.00 C ATOM 518 O TYR A 118 60.104 -9.595 4.914 1.00 0.00 O ATOM 519 CB TYR A 118 58.254 -7.059 4.525 1.00 0.00 C ATOM 520 CG TYR A 118 58.792 -6.990 3.114 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.054 -7.480 2.805 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.037 -6.429 2.092 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.548 -7.413 1.516 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.523 -6.358 0.802 1.00 0.00 C ATOM 525 CZ TYR A 118 59.779 -6.851 0.518 1.00 0.00 C ATOM 526 OH TYR A 118 60.267 -6.784 -0.767 1.00 0.00 O ATOM 0 H TYR A 118 56.598 -7.531 6.273 1.00 0.00 H new ATOM 0 HA TYR A 118 57.674 -9.106 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.331 -6.481 4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.968 -6.584 5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.659 -7.920 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.053 -6.042 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.531 -7.799 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 118 57.923 -5.919 0.019 1.00 0.00 H new ATOM 0 HH TYR A 118 59.601 -6.361 -1.348 1.00 0.00 H new ATOM 536 N SER A 119 59.362 -8.984 6.949 1.00 0.00 N ATOM 537 CA SER A 119 60.529 -9.508 7.648 1.00 0.00 C ATOM 538 C SER A 119 60.372 -10.993 7.962 1.00 0.00 C ATOM 539 O SER A 119 61.228 -11.805 7.612 1.00 0.00 O ATOM 540 CB SER A 119 60.768 -8.722 8.938 1.00 0.00 C ATOM 541 OG SER A 119 61.656 -9.412 9.800 1.00 0.00 O ATOM 0 H SER A 119 58.663 -8.556 7.556 1.00 0.00 H new ATOM 0 HA SER A 119 61.391 -9.393 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.178 -7.741 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.819 -8.555 9.447 1.00 0.00 H new ATOM 0 HG SER A 119 61.793 -8.887 10.616 1.00 0.00 H new ATOM 547 N SER A 120 59.281 -11.337 8.633 1.00 0.00 N ATOM 548 CA SER A 120 59.017 -12.726 9.008 1.00 0.00 C ATOM 549 C SER A 120 58.436 -13.534 7.848 1.00 0.00 C ATOM 550 O SER A 120 58.078 -14.699 8.020 1.00 0.00 O ATOM 551 CB SER A 120 58.059 -12.782 10.199 1.00 0.00 C ATOM 552 OG SER A 120 58.761 -12.678 11.426 1.00 0.00 O ATOM 0 H SER A 120 58.563 -10.676 8.930 1.00 0.00 H new ATOM 0 HA SER A 120 59.974 -13.171 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.332 -11.973 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.499 -13.717 10.175 1.00 0.00 H new ATOM 0 HG SER A 120 58.125 -12.715 12.171 1.00 0.00 H new ATOM 558 N ASN A 121 58.337 -12.923 6.671 1.00 0.00 N ATOM 559 CA ASN A 121 57.790 -13.616 5.509 1.00 0.00 C ATOM 560 C ASN A 121 58.526 -13.247 4.220 1.00 0.00 C ATOM 561 O ASN A 121 58.138 -13.684 3.137 1.00 0.00 O ATOM 562 CB ASN A 121 56.302 -13.297 5.363 1.00 0.00 C ATOM 563 CG ASN A 121 55.557 -14.352 4.574 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.675 -15.547 4.844 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.783 -13.912 3.591 1.00 0.00 N ATOM 0 H ASN A 121 58.625 -11.960 6.497 1.00 0.00 H new ATOM 0 HA ASN A 121 57.926 -14.685 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.855 -13.205 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.187 -12.331 4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.255 -14.574 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.716 -12.912 3.403 1.00 0.00 H new