USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 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: A1189 THR OG1 : rot 180:sc= 0.0143 USER MOD Set 1.2: A1192 GLN : amide:sc= 1.15 K(o=1.5,f=-7.4!) USER MOD Set 1.3: A1203 ASN : amide:sc= 0.377 K(o=1.5,f=-5.1!) USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1190 SER OG : rot 180:sc= 0.0968 USER MOD Single : A1194 LYS NZ :NH3+ 146:sc= 0.466 (180deg=0.161) USER MOD Single : A1199 SER OG : rot -96:sc= 1.33 USER MOD Single : A1200 SER OG : rot 180:sc= 0.0643 USER MOD Single : A1204 SER OG : rot -119:sc= 1.13 USER MOD Single : A1206 TYR OH : rot 180:sc= 0 USER MOD Single : A1212 TYR OH : rot 180:sc= 0 USER MOD Single : A1217 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A1218 SER OG : rot -69:sc= 1.41 USER MOD Single : A1225 THR OG1 : rot 180:sc= 0.0554 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -21.615 -0.072 12.633 1.00 0.00 N ATOM 2 CA GLY A1182 -20.219 -0.273 12.321 1.00 0.00 C ATOM 3 C GLY A1182 -19.954 -0.145 10.840 1.00 0.00 C ATOM 4 O GLY A1182 -20.641 0.619 10.158 1.00 0.00 O ATOM 0 HA2 GLY A1182 -19.616 0.456 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -19.908 -1.260 12.662 1.00 0.00 H new ATOM 10 N ALA A1183 -18.967 -0.908 10.356 1.00 0.00 N ATOM 11 CA ALA A1183 -18.567 -0.911 8.946 1.00 0.00 C ATOM 12 C ALA A1183 -18.102 0.474 8.505 1.00 0.00 C ATOM 13 O ALA A1183 -18.702 1.093 7.619 1.00 0.00 O ATOM 14 CB ALA A1183 -19.693 -1.423 8.051 1.00 0.00 C ATOM 0 H ALA A1183 -18.421 -1.544 10.936 1.00 0.00 H new ATOM 0 HA ALA A1183 -17.725 -1.596 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -19.365 -1.413 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -19.953 -2.442 8.340 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -20.567 -0.781 8.162 1.00 0.00 H new ATOM 20 N MET A1184 -17.025 0.945 9.136 1.00 0.00 N ATOM 21 CA MET A1184 -16.466 2.265 8.853 1.00 0.00 C ATOM 22 C MET A1184 -16.088 2.391 7.386 1.00 0.00 C ATOM 23 O MET A1184 -15.221 1.668 6.891 1.00 0.00 O ATOM 24 CB MET A1184 -15.243 2.528 9.732 1.00 0.00 C ATOM 25 CG MET A1184 -15.432 3.669 10.717 1.00 0.00 C ATOM 26 SD MET A1184 -17.012 3.585 11.580 1.00 0.00 S ATOM 27 CE MET A1184 -17.202 5.287 12.095 1.00 0.00 C ATOM 0 H MET A1184 -16.519 0.425 9.853 1.00 0.00 H new ATOM 0 HA MET A1184 -17.230 3.009 9.078 1.00 0.00 H new ATOM 0 HB2 MET A1184 -15.001 1.620 10.284 1.00 0.00 H new ATOM 0 HB3 MET A1184 -14.388 2.749 9.093 1.00 0.00 H new ATOM 0 HG2 MET A1184 -14.622 3.652 11.447 1.00 0.00 H new ATOM 0 HG3 MET A1184 -15.362 4.618 10.186 1.00 0.00 H new ATOM 0 HE1 MET A1184 -18.137 5.399 12.644 1.00 0.00 H new ATOM 0 HE2 MET A1184 -16.368 5.568 12.738 1.00 0.00 H new ATOM 0 HE3 MET A1184 -17.218 5.933 11.217 1.00 0.00 H new ATOM 37 N VAL A1185 -16.768 3.298 6.698 1.00 0.00 N ATOM 38 CA VAL A1185 -16.597 3.474 5.263 1.00 0.00 C ATOM 39 C VAL A1185 -15.223 4.035 4.943 1.00 0.00 C ATOM 40 O VAL A1185 -14.898 5.170 5.307 1.00 0.00 O ATOM 41 CB VAL A1185 -17.669 4.401 4.645 1.00 0.00 C ATOM 42 CG1 VAL A1185 -18.224 3.791 3.370 1.00 0.00 C ATOM 43 CG2 VAL A1185 -18.796 4.692 5.625 1.00 0.00 C ATOM 0 H VAL A1185 -17.451 3.930 7.117 1.00 0.00 H new ATOM 0 HA VAL A1185 -16.707 2.482 4.824 1.00 0.00 H new ATOM 0 HB VAL A1185 -17.186 5.349 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -18.977 4.455 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -17.416 3.653 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -18.677 2.826 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -19.529 5.346 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -19.277 3.758 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -18.391 5.181 6.511 1.00 0.00 H new ATOM 53 N LEU A1186 -14.417 3.227 4.284 1.00 0.00 N ATOM 54 CA LEU A1186 -13.094 3.647 3.876 1.00 0.00 C ATOM 55 C LEU A1186 -13.155 4.342 2.525 1.00 0.00 C ATOM 56 O LEU A1186 -13.337 3.697 1.489 1.00 0.00 O ATOM 57 CB LEU A1186 -12.142 2.461 3.812 1.00 0.00 C ATOM 58 CG LEU A1186 -10.856 2.656 4.604 1.00 0.00 C ATOM 59 CD1 LEU A1186 -10.588 1.443 5.468 1.00 0.00 C ATOM 60 CD2 LEU A1186 -9.691 2.927 3.669 1.00 0.00 C ATOM 0 H LEU A1186 -14.658 2.272 4.019 1.00 0.00 H new ATOM 0 HA LEU A1186 -12.717 4.349 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -12.656 1.575 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -11.889 2.267 2.770 1.00 0.00 H new ATOM 0 HG LEU A1186 -10.971 3.522 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -9.666 1.593 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -11.417 1.300 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.488 0.561 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -8.780 3.064 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -9.564 2.083 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -9.891 3.829 3.091 1.00 0.00 H new ATOM 72 N ASN A1187 -13.019 5.656 2.544 1.00 0.00 N ATOM 73 CA ASN A1187 -13.049 6.440 1.320 1.00 0.00 C ATOM 74 C ASN A1187 -11.649 6.904 0.971 1.00 0.00 C ATOM 75 O ASN A1187 -10.924 7.437 1.816 1.00 0.00 O ATOM 76 CB ASN A1187 -13.994 7.639 1.452 1.00 0.00 C ATOM 77 CG ASN A1187 -13.898 8.598 0.276 1.00 0.00 C ATOM 78 OD1 ASN A1187 -14.111 8.215 -0.872 1.00 0.00 O ATOM 79 ND2 ASN A1187 -13.584 9.853 0.555 1.00 0.00 N ATOM 0 H ASN A1187 -12.887 6.204 3.394 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.426 5.807 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -15.019 7.280 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -13.765 8.176 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -13.512 10.540 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -13.414 10.134 1.521 1.00 0.00 H new ATOM 86 N CYS A1188 -11.277 6.692 -0.270 1.00 0.00 N ATOM 87 CA CYS A1188 -9.952 7.029 -0.733 1.00 0.00 C ATOM 88 C CYS A1188 -10.020 7.872 -1.992 1.00 0.00 C ATOM 89 O CYS A1188 -11.015 7.856 -2.720 1.00 0.00 O ATOM 90 CB CYS A1188 -9.152 5.759 -0.999 1.00 0.00 C ATOM 91 SG CYS A1188 -10.179 4.296 -1.364 1.00 0.00 S ATOM 0 H CYS A1188 -11.881 6.283 -0.983 1.00 0.00 H new ATOM 0 HA CYS A1188 -9.454 7.609 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.478 5.935 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.530 5.545 -0.130 1.00 0.00 H new ATOM 96 N THR A1189 -8.959 8.615 -2.231 1.00 0.00 N ATOM 97 CA THR A1189 -8.835 9.425 -3.420 1.00 0.00 C ATOM 98 C THR A1189 -8.011 8.680 -4.461 1.00 0.00 C ATOM 99 O THR A1189 -7.500 7.590 -4.194 1.00 0.00 O ATOM 100 CB THR A1189 -8.162 10.771 -3.097 1.00 0.00 C ATOM 101 OG1 THR A1189 -7.005 10.552 -2.276 1.00 0.00 O ATOM 102 CG2 THR A1189 -9.130 11.702 -2.381 1.00 0.00 C ATOM 0 H THR A1189 -8.157 8.673 -1.603 1.00 0.00 H new ATOM 0 HA THR A1189 -9.833 9.622 -3.811 1.00 0.00 H new ATOM 0 HB THR A1189 -7.861 11.239 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A1189 -6.579 11.411 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A1189 -8.632 12.647 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A1189 -9.996 11.886 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A1189 -9.457 11.241 -1.449 1.00 0.00 H new ATOM 110 N SER A1190 -7.858 9.276 -5.632 1.00 0.00 N ATOM 111 CA SER A1190 -7.065 8.682 -6.696 1.00 0.00 C ATOM 112 C SER A1190 -5.575 8.990 -6.506 1.00 0.00 C ATOM 113 O SER A1190 -4.745 8.646 -7.347 1.00 0.00 O ATOM 114 CB SER A1190 -7.551 9.204 -8.047 1.00 0.00 C ATOM 115 OG SER A1190 -8.722 9.997 -7.892 1.00 0.00 O ATOM 0 H SER A1190 -8.275 10.176 -5.871 1.00 0.00 H new ATOM 0 HA SER A1190 -7.188 7.599 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.765 9.796 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.760 8.366 -8.712 1.00 0.00 H new ATOM 0 HG SER A1190 -9.015 10.322 -8.769 1.00 0.00 H new ATOM 121 N ALA A1191 -5.255 9.660 -5.401 1.00 0.00 N ATOM 122 CA ALA A1191 -3.876 9.949 -5.041 1.00 0.00 C ATOM 123 C ALA A1191 -3.380 8.973 -3.976 1.00 0.00 C ATOM 124 O ALA A1191 -2.180 8.885 -3.710 1.00 0.00 O ATOM 125 CB ALA A1191 -3.748 11.382 -4.546 1.00 0.00 C ATOM 0 H ALA A1191 -5.942 10.014 -4.736 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.257 9.830 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -2.710 11.584 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -4.061 12.068 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -4.381 11.522 -3.670 1.00 0.00 H new ATOM 131 N GLN A1192 -4.313 8.241 -3.373 1.00 0.00 N ATOM 132 CA GLN A1192 -3.978 7.271 -2.339 1.00 0.00 C ATOM 133 C GLN A1192 -3.724 5.902 -2.957 1.00 0.00 C ATOM 134 O GLN A1192 -4.047 5.668 -4.122 1.00 0.00 O ATOM 135 CB GLN A1192 -5.101 7.183 -1.306 1.00 0.00 C ATOM 136 CG GLN A1192 -4.852 8.040 -0.076 1.00 0.00 C ATOM 137 CD GLN A1192 -6.123 8.636 0.500 1.00 0.00 C ATOM 138 OE1 GLN A1192 -7.189 8.553 -0.104 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.017 9.258 1.662 1.00 0.00 N ATOM 0 H GLN A1192 -5.309 8.303 -3.585 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.068 7.602 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.038 7.490 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.222 6.144 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.362 7.436 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -4.165 8.845 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -5.114 9.306 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -6.838 9.689 2.086 1.00 0.00 H new ATOM 148 N PHE A1193 -3.148 4.999 -2.178 1.00 0.00 N ATOM 149 CA PHE A1193 -2.812 3.679 -2.681 1.00 0.00 C ATOM 150 C PHE A1193 -3.838 2.645 -2.228 1.00 0.00 C ATOM 151 O PHE A1193 -3.939 2.332 -1.044 1.00 0.00 O ATOM 152 CB PHE A1193 -1.403 3.268 -2.223 1.00 0.00 C ATOM 153 CG PHE A1193 -0.959 1.933 -2.766 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.482 1.823 -4.064 1.00 0.00 C ATOM 155 CD2 PHE A1193 -1.028 0.789 -1.986 1.00 0.00 C ATOM 156 CE1 PHE A1193 -0.086 0.601 -4.570 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.636 -0.435 -2.489 1.00 0.00 C ATOM 158 CZ PHE A1193 -0.164 -0.529 -3.783 1.00 0.00 C ATOM 0 H PHE A1193 -2.905 5.156 -1.200 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.826 3.721 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.691 4.033 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.379 3.234 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.420 2.704 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.393 0.856 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.285 0.530 -5.582 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.698 -1.318 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.144 -1.486 -4.178 1.00 0.00 H new ATOM 168 N LYS A1194 -4.609 2.130 -3.174 1.00 0.00 N ATOM 169 CA LYS A1194 -5.507 1.022 -2.898 1.00 0.00 C ATOM 170 C LYS A1194 -4.736 -0.287 -2.950 1.00 0.00 C ATOM 171 O LYS A1194 -3.855 -0.464 -3.798 1.00 0.00 O ATOM 172 CB LYS A1194 -6.669 0.991 -3.887 1.00 0.00 C ATOM 173 CG LYS A1194 -7.737 -0.022 -3.512 1.00 0.00 C ATOM 174 CD LYS A1194 -8.949 0.631 -2.870 1.00 0.00 C ATOM 175 CE LYS A1194 -10.243 0.055 -3.416 1.00 0.00 C ATOM 176 NZ LYS A1194 -11.140 -0.443 -2.336 1.00 0.00 N ATOM 0 H LYS A1194 -4.630 2.462 -4.138 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.924 1.158 -1.900 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -7.119 1.982 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -6.287 0.758 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -8.049 -0.565 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.315 -0.755 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.912 0.487 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.923 1.706 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -10.763 0.819 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.014 -0.762 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -12.131 -0.286 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.977 -1.460 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.938 0.069 -1.454 1.00 0.00 H new ATOM 190 N CYS A1195 -5.054 -1.184 -2.024 1.00 0.00 N ATOM 191 CA CYS A1195 -4.442 -2.504 -1.968 1.00 0.00 C ATOM 192 C CYS A1195 -4.670 -3.270 -3.270 1.00 0.00 C ATOM 193 O CYS A1195 -5.696 -3.089 -3.928 1.00 0.00 O ATOM 194 CB CYS A1195 -5.027 -3.295 -0.793 1.00 0.00 C ATOM 195 SG CYS A1195 -3.865 -4.487 -0.061 1.00 0.00 S ATOM 0 H CYS A1195 -5.743 -1.016 -1.291 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.368 -2.379 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -5.350 -2.596 -0.022 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.915 -3.829 -1.132 1.00 0.00 H new ATOM 200 N ALA A1196 -3.718 -4.131 -3.633 1.00 0.00 N ATOM 201 CA ALA A1196 -3.841 -4.953 -4.839 1.00 0.00 C ATOM 202 C ALA A1196 -4.969 -5.968 -4.683 1.00 0.00 C ATOM 203 O ALA A1196 -5.560 -6.417 -5.665 1.00 0.00 O ATOM 204 CB ALA A1196 -2.532 -5.662 -5.144 1.00 0.00 C ATOM 0 H ALA A1196 -2.854 -4.278 -3.110 1.00 0.00 H new ATOM 0 HA ALA A1196 -4.078 -4.295 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.647 -6.267 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.746 -4.923 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -2.263 -6.305 -4.306 1.00 0.00 H new ATOM 210 N ASP A1197 -5.257 -6.309 -3.430 1.00 0.00 N ATOM 211 CA ASP A1197 -6.388 -7.165 -3.088 1.00 0.00 C ATOM 212 C ASP A1197 -7.708 -6.416 -3.310 1.00 0.00 C ATOM 213 O ASP A1197 -8.735 -7.017 -3.629 1.00 0.00 O ATOM 214 CB ASP A1197 -6.263 -7.615 -1.628 1.00 0.00 C ATOM 215 CG ASP A1197 -7.443 -8.436 -1.159 1.00 0.00 C ATOM 216 OD1 ASP A1197 -7.592 -9.583 -1.615 1.00 0.00 O ATOM 217 OD2 ASP A1197 -8.225 -7.932 -0.327 1.00 0.00 O ATOM 0 H ASP A1197 -4.713 -6.000 -2.624 1.00 0.00 H new ATOM 0 HA ASP A1197 -6.384 -8.044 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -5.351 -8.200 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -6.162 -6.737 -0.990 1.00 0.00 H new ATOM 222 N GLY A1198 -7.657 -5.095 -3.156 1.00 0.00 N ATOM 223 CA GLY A1198 -8.819 -4.257 -3.397 1.00 0.00 C ATOM 224 C GLY A1198 -9.603 -3.955 -2.139 1.00 0.00 C ATOM 225 O GLY A1198 -10.728 -3.464 -2.207 1.00 0.00 O ATOM 0 H GLY A1198 -6.822 -4.586 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.496 -3.320 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.473 -4.751 -4.116 1.00 0.00 H new ATOM 229 N SER A1199 -9.010 -4.239 -0.992 1.00 0.00 N ATOM 230 CA SER A1199 -9.664 -4.022 0.286 1.00 0.00 C ATOM 231 C SER A1199 -9.592 -2.552 0.697 1.00 0.00 C ATOM 232 O SER A1199 -10.450 -1.748 0.324 1.00 0.00 O ATOM 233 CB SER A1199 -9.004 -4.911 1.340 1.00 0.00 C ATOM 234 OG SER A1199 -7.820 -5.492 0.819 1.00 0.00 O ATOM 0 H SER A1199 -8.068 -4.624 -0.921 1.00 0.00 H new ATOM 0 HA SER A1199 -10.718 -4.284 0.197 1.00 0.00 H new ATOM 0 HB2 SER A1199 -8.769 -4.323 2.227 1.00 0.00 H new ATOM 0 HB3 SER A1199 -9.696 -5.694 1.651 1.00 0.00 H new ATOM 0 HG SER A1199 -8.018 -6.390 0.481 1.00 0.00 H new ATOM 240 N SER A1200 -8.548 -2.197 1.428 1.00 0.00 N ATOM 241 CA SER A1200 -8.417 -0.860 1.972 1.00 0.00 C ATOM 242 C SER A1200 -7.554 0.020 1.078 1.00 0.00 C ATOM 243 O SER A1200 -6.886 -0.461 0.157 1.00 0.00 O ATOM 244 CB SER A1200 -7.817 -0.934 3.377 1.00 0.00 C ATOM 245 OG SER A1200 -7.378 -2.252 3.672 1.00 0.00 O ATOM 0 H SER A1200 -7.776 -2.822 1.658 1.00 0.00 H new ATOM 0 HA SER A1200 -9.409 -0.411 2.022 1.00 0.00 H new ATOM 0 HB2 SER A1200 -6.979 -0.241 3.456 1.00 0.00 H new ATOM 0 HB3 SER A1200 -8.560 -0.621 4.111 1.00 0.00 H new ATOM 0 HG SER A1200 -6.996 -2.275 4.574 1.00 0.00 H new ATOM 251 N CYS A1201 -7.592 1.313 1.349 1.00 0.00 N ATOM 252 CA CYS A1201 -6.756 2.272 0.657 1.00 0.00 C ATOM 253 C CYS A1201 -5.944 3.053 1.673 1.00 0.00 C ATOM 254 O CYS A1201 -6.497 3.779 2.497 1.00 0.00 O ATOM 255 CB CYS A1201 -7.604 3.229 -0.182 1.00 0.00 C ATOM 256 SG CYS A1201 -9.387 2.851 -0.180 1.00 0.00 S ATOM 0 H CYS A1201 -8.203 1.725 2.054 1.00 0.00 H new ATOM 0 HA CYS A1201 -6.087 1.735 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.459 4.244 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -7.242 3.210 -1.210 1.00 0.00 H new ATOM 261 N ILE A1202 -4.637 2.891 1.615 1.00 0.00 N ATOM 262 CA ILE A1202 -3.746 3.556 2.543 1.00 0.00 C ATOM 263 C ILE A1202 -3.232 4.842 1.925 1.00 0.00 C ATOM 264 O ILE A1202 -3.331 5.038 0.714 1.00 0.00 O ATOM 265 CB ILE A1202 -2.547 2.660 2.939 1.00 0.00 C ATOM 266 CG1 ILE A1202 -2.033 1.860 1.734 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.942 1.723 4.072 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.573 2.100 1.427 1.00 0.00 C ATOM 0 H ILE A1202 -4.167 2.300 0.930 1.00 0.00 H new ATOM 0 HA ILE A1202 -4.314 3.773 3.447 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.738 3.305 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -2.186 0.797 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.627 2.118 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -2.090 1.098 4.341 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -3.250 2.309 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.769 1.090 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A1202 -0.280 1.502 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A1202 -0.416 3.156 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.031 1.815 2.288 1.00 0.00 H new ATOM 280 N ASN A1203 -2.699 5.719 2.755 1.00 0.00 N ATOM 281 CA ASN A1203 -2.134 6.961 2.264 1.00 0.00 C ATOM 282 C ASN A1203 -0.851 6.686 1.495 1.00 0.00 C ATOM 283 O ASN A1203 -0.153 5.706 1.763 1.00 0.00 O ATOM 284 CB ASN A1203 -1.862 7.933 3.411 1.00 0.00 C ATOM 285 CG ASN A1203 -2.835 9.096 3.412 1.00 0.00 C ATOM 286 OD1 ASN A1203 -3.167 9.638 2.361 1.00 0.00 O ATOM 287 ND2 ASN A1203 -3.301 9.489 4.587 1.00 0.00 N ATOM 0 H ASN A1203 -2.646 5.595 3.766 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.860 7.422 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.931 7.402 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.843 8.312 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.959 10.267 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -3.002 9.014 5.439 1.00 0.00 H new ATOM 294 N SER A1204 -0.551 7.557 0.545 1.00 0.00 N ATOM 295 CA SER A1204 0.626 7.430 -0.306 1.00 0.00 C ATOM 296 C SER A1204 1.939 7.551 0.485 1.00 0.00 C ATOM 297 O SER A1204 3.007 7.203 -0.019 1.00 0.00 O ATOM 298 CB SER A1204 0.555 8.498 -1.393 1.00 0.00 C ATOM 299 OG SER A1204 -0.676 9.206 -1.321 1.00 0.00 O ATOM 0 H SER A1204 -1.120 8.378 0.340 1.00 0.00 H new ATOM 0 HA SER A1204 0.626 6.434 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.387 9.193 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.656 8.033 -2.374 1.00 0.00 H new ATOM 0 HG SER A1204 -1.175 9.081 -2.155 1.00 0.00 H new ATOM 305 N ARG A1205 1.854 8.023 1.733 1.00 0.00 N ATOM 306 CA ARG A1205 3.011 8.090 2.614 1.00 0.00 C ATOM 307 C ARG A1205 3.411 6.695 3.094 1.00 0.00 C ATOM 308 O ARG A1205 4.512 6.486 3.596 1.00 0.00 O ATOM 309 CB ARG A1205 2.699 8.985 3.810 1.00 0.00 C ATOM 310 CG ARG A1205 1.631 8.422 4.738 1.00 0.00 C ATOM 311 CD ARG A1205 1.817 8.936 6.146 1.00 0.00 C ATOM 312 NE ARG A1205 0.568 9.413 6.735 1.00 0.00 N ATOM 313 CZ ARG A1205 0.473 10.497 7.508 1.00 0.00 C ATOM 314 NH1 ARG A1205 1.554 11.210 7.800 1.00 0.00 N ATOM 315 NH2 ARG A1205 -0.706 10.865 7.992 1.00 0.00 N ATOM 0 H ARG A1205 0.989 8.364 2.152 1.00 0.00 H new ATOM 0 HA ARG A1205 3.847 8.512 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.614 9.146 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.374 9.960 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.642 8.700 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A1205 1.678 7.333 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A1205 2.229 8.141 6.768 1.00 0.00 H new ATOM 0 HD3 ARG A1205 2.546 9.747 6.141 1.00 0.00 H new ATOM 0 HE ARG A1205 -0.284 8.885 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A1205 2.464 10.930 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A1205 1.475 12.037 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A1205 -1.540 10.320 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A1205 -0.779 11.693 8.583 1.00 0.00 H new ATOM 329 N TYR A1206 2.502 5.743 2.928 1.00 0.00 N ATOM 330 CA TYR A1206 2.732 4.377 3.355 1.00 0.00 C ATOM 331 C TYR A1206 3.190 3.513 2.187 1.00 0.00 C ATOM 332 O TYR A1206 3.154 2.292 2.262 1.00 0.00 O ATOM 333 CB TYR A1206 1.460 3.783 3.963 1.00 0.00 C ATOM 334 CG TYR A1206 0.939 4.521 5.178 1.00 0.00 C ATOM 335 CD1 TYR A1206 1.739 4.722 6.294 1.00 0.00 C ATOM 336 CD2 TYR A1206 -0.361 5.006 5.208 1.00 0.00 C ATOM 337 CE1 TYR A1206 1.256 5.388 7.406 1.00 0.00 C ATOM 338 CE2 TYR A1206 -0.849 5.673 6.313 1.00 0.00 C ATOM 339 CZ TYR A1206 -0.040 5.861 7.410 1.00 0.00 C ATOM 340 OH TYR A1206 -0.529 6.528 8.511 1.00 0.00 O ATOM 0 H TYR A1206 1.591 5.899 2.496 1.00 0.00 H new ATOM 0 HA TYR A1206 3.517 4.392 4.111 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.681 3.769 3.201 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.655 2.747 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A1206 2.754 4.353 6.294 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -1.002 4.859 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A1206 1.891 5.537 8.267 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -1.862 6.046 6.317 1.00 0.00 H new ATOM 0 HH TYR A1206 -1.458 6.794 8.347 1.00 0.00 H new ATOM 350 N ARG A1207 3.594 4.141 1.100 1.00 0.00 N ATOM 351 CA ARG A1207 4.154 3.405 -0.021 1.00 0.00 C ATOM 352 C ARG A1207 5.649 3.175 0.218 1.00 0.00 C ATOM 353 O ARG A1207 6.431 4.129 0.215 1.00 0.00 O ATOM 354 CB ARG A1207 3.906 4.165 -1.334 1.00 0.00 C ATOM 355 CG ARG A1207 4.694 3.634 -2.525 1.00 0.00 C ATOM 356 CD ARG A1207 4.124 2.321 -3.042 1.00 0.00 C ATOM 357 NE ARG A1207 4.734 1.923 -4.312 1.00 0.00 N ATOM 358 CZ ARG A1207 4.062 1.817 -5.459 1.00 0.00 C ATOM 359 NH1 ARG A1207 2.760 2.064 -5.492 1.00 0.00 N ATOM 360 NH2 ARG A1207 4.693 1.474 -6.574 1.00 0.00 N ATOM 0 H ARG A1207 3.547 5.151 0.968 1.00 0.00 H new ATOM 0 HA ARG A1207 3.664 2.435 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.842 4.123 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A1207 4.158 5.215 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.685 4.374 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.735 3.489 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A1207 4.286 1.538 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG A1207 3.046 2.419 -3.172 1.00 0.00 H new ATOM 0 HE ARG A1207 5.732 1.714 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A1207 2.271 2.336 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A1207 2.248 1.982 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A1207 5.696 1.290 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A1207 4.175 1.394 -7.449 1.00 0.00 H new ATOM 374 N CYS A1208 6.015 1.907 0.443 1.00 0.00 N ATOM 375 CA CYS A1208 7.394 1.506 0.741 1.00 0.00 C ATOM 376 C CYS A1208 7.922 2.248 1.970 1.00 0.00 C ATOM 377 O CYS A1208 8.771 3.135 1.868 1.00 0.00 O ATOM 378 CB CYS A1208 8.303 1.732 -0.477 1.00 0.00 C ATOM 379 SG CYS A1208 7.638 1.061 -2.041 1.00 0.00 S ATOM 0 H CYS A1208 5.358 1.127 0.423 1.00 0.00 H new ATOM 0 HA CYS A1208 7.398 0.440 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A1208 8.472 2.802 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.273 1.275 -0.282 1.00 0.00 H new ATOM 384 N ASP A1209 7.406 1.878 3.135 1.00 0.00 N ATOM 385 CA ASP A1209 7.740 2.572 4.373 1.00 0.00 C ATOM 386 C ASP A1209 8.360 1.624 5.407 1.00 0.00 C ATOM 387 O ASP A1209 8.897 2.069 6.423 1.00 0.00 O ATOM 388 CB ASP A1209 6.494 3.294 4.928 1.00 0.00 C ATOM 389 CG ASP A1209 5.853 2.615 6.125 1.00 0.00 C ATOM 390 OD1 ASP A1209 5.121 1.624 5.930 1.00 0.00 O ATOM 391 OD2 ASP A1209 6.057 3.085 7.261 1.00 0.00 O ATOM 0 H ASP A1209 6.755 1.101 3.249 1.00 0.00 H new ATOM 0 HA ASP A1209 8.498 3.323 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A1209 6.773 4.309 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A1209 5.753 3.376 4.133 1.00 0.00 H new ATOM 396 N GLY A1210 8.300 0.322 5.147 1.00 0.00 N ATOM 397 CA GLY A1210 8.944 -0.637 6.025 1.00 0.00 C ATOM 398 C GLY A1210 8.038 -1.781 6.437 1.00 0.00 C ATOM 399 O GLY A1210 8.444 -2.946 6.396 1.00 0.00 O ATOM 0 H GLY A1210 7.818 -0.085 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A1210 9.824 -1.042 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.295 -0.121 6.919 1.00 0.00 H new ATOM 403 N VAL A1211 6.818 -1.458 6.837 1.00 0.00 N ATOM 404 CA VAL A1211 5.880 -2.463 7.330 1.00 0.00 C ATOM 405 C VAL A1211 4.764 -2.693 6.311 1.00 0.00 C ATOM 406 O VAL A1211 4.403 -1.778 5.581 1.00 0.00 O ATOM 407 CB VAL A1211 5.287 -2.050 8.708 1.00 0.00 C ATOM 408 CG1 VAL A1211 4.388 -0.825 8.594 1.00 0.00 C ATOM 409 CG2 VAL A1211 4.536 -3.204 9.356 1.00 0.00 C ATOM 0 H VAL A1211 6.451 -0.506 6.831 1.00 0.00 H new ATOM 0 HA VAL A1211 6.425 -3.397 7.468 1.00 0.00 H new ATOM 0 HB VAL A1211 6.129 -1.787 9.349 1.00 0.00 H new ATOM 0 HG11 VAL A1211 3.994 -0.570 9.578 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.964 0.014 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A1211 3.561 -1.042 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A1211 4.134 -2.883 10.317 1.00 0.00 H new ATOM 0 HG22 VAL A1211 3.718 -3.516 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A1211 5.217 -4.041 9.509 1.00 0.00 H new ATOM 419 N TYR A1212 4.244 -3.912 6.239 1.00 0.00 N ATOM 420 CA TYR A1212 3.155 -4.226 5.321 1.00 0.00 C ATOM 421 C TYR A1212 1.835 -3.646 5.831 1.00 0.00 C ATOM 422 O TYR A1212 1.363 -4.000 6.912 1.00 0.00 O ATOM 423 CB TYR A1212 3.020 -5.742 5.136 1.00 0.00 C ATOM 424 CG TYR A1212 4.285 -6.443 4.676 1.00 0.00 C ATOM 425 CD1 TYR A1212 5.150 -5.858 3.753 1.00 0.00 C ATOM 426 CD2 TYR A1212 4.611 -7.700 5.167 1.00 0.00 C ATOM 427 CE1 TYR A1212 6.298 -6.508 3.341 1.00 0.00 C ATOM 428 CE2 TYR A1212 5.756 -8.354 4.759 1.00 0.00 C ATOM 429 CZ TYR A1212 6.595 -7.754 3.847 1.00 0.00 C ATOM 430 OH TYR A1212 7.739 -8.405 3.440 1.00 0.00 O ATOM 0 H TYR A1212 4.559 -4.700 6.805 1.00 0.00 H new ATOM 0 HA TYR A1212 3.389 -3.775 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A1212 2.701 -6.182 6.081 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.230 -5.936 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.920 -4.881 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A1212 3.956 -8.175 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A1212 6.959 -6.041 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A1212 5.993 -9.331 5.153 1.00 0.00 H new ATOM 0 HH TYR A1212 7.800 -9.272 3.892 1.00 0.00 H new ATOM 440 N ASP A1213 1.255 -2.745 5.048 1.00 0.00 N ATOM 441 CA ASP A1213 -0.030 -2.128 5.380 1.00 0.00 C ATOM 442 C ASP A1213 -1.149 -2.850 4.653 1.00 0.00 C ATOM 443 O ASP A1213 -2.320 -2.766 5.030 1.00 0.00 O ATOM 444 CB ASP A1213 -0.048 -0.650 4.973 1.00 0.00 C ATOM 445 CG ASP A1213 0.306 0.283 6.109 1.00 0.00 C ATOM 446 OD1 ASP A1213 -0.516 0.450 7.029 1.00 0.00 O ATOM 447 OD2 ASP A1213 1.414 0.864 6.074 1.00 0.00 O ATOM 0 H ASP A1213 1.657 -2.420 4.169 1.00 0.00 H new ATOM 0 HA ASP A1213 -0.173 -2.202 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.654 -0.497 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -1.039 -0.395 4.597 1.00 0.00 H new ATOM 452 N CYS A1214 -0.771 -3.551 3.593 1.00 0.00 N ATOM 453 CA CYS A1214 -1.715 -4.273 2.759 1.00 0.00 C ATOM 454 C CYS A1214 -1.959 -5.679 3.296 1.00 0.00 C ATOM 455 O CYS A1214 -1.364 -6.091 4.293 1.00 0.00 O ATOM 456 CB CYS A1214 -1.182 -4.354 1.330 1.00 0.00 C ATOM 457 SG CYS A1214 -2.159 -3.406 0.123 1.00 0.00 S ATOM 0 H CYS A1214 0.199 -3.634 3.289 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.662 -3.734 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.154 -3.992 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.156 -5.399 1.021 1.00 0.00 H new ATOM 462 N ARG A1215 -2.838 -6.414 2.619 1.00 0.00 N ATOM 463 CA ARG A1215 -3.142 -7.792 2.983 1.00 0.00 C ATOM 464 C ARG A1215 -1.963 -8.707 2.655 1.00 0.00 C ATOM 465 O ARG A1215 -1.752 -9.725 3.310 1.00 0.00 O ATOM 466 CB ARG A1215 -4.398 -8.265 2.251 1.00 0.00 C ATOM 467 CG ARG A1215 -5.591 -7.335 2.419 1.00 0.00 C ATOM 468 CD ARG A1215 -6.714 -8.002 3.196 1.00 0.00 C ATOM 469 NE ARG A1215 -7.655 -8.695 2.314 1.00 0.00 N ATOM 470 CZ ARG A1215 -8.418 -9.724 2.685 1.00 0.00 C ATOM 471 NH1 ARG A1215 -8.395 -10.169 3.938 1.00 0.00 N ATOM 472 NH2 ARG A1215 -9.208 -10.310 1.797 1.00 0.00 N ATOM 0 H ARG A1215 -3.355 -6.073 1.809 1.00 0.00 H new ATOM 0 HA ARG A1215 -3.323 -7.835 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -4.173 -8.365 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -4.668 -9.257 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.277 -6.429 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.957 -7.030 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -6.291 -8.713 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -7.248 -7.251 3.778 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.732 -8.369 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -7.789 -9.723 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -8.983 -10.957 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -9.231 -9.974 0.834 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -9.793 -11.097 2.076 1.00 0.00 H new ATOM 486 N ASP A1216 -1.200 -8.330 1.637 1.00 0.00 N ATOM 487 CA ASP A1216 0.005 -9.058 1.279 1.00 0.00 C ATOM 488 C ASP A1216 1.239 -8.166 1.460 1.00 0.00 C ATOM 489 O ASP A1216 1.807 -8.108 2.551 1.00 0.00 O ATOM 490 CB ASP A1216 -0.082 -9.613 -0.155 1.00 0.00 C ATOM 491 CG ASP A1216 -0.761 -8.674 -1.138 1.00 0.00 C ATOM 492 OD1 ASP A1216 -1.999 -8.745 -1.288 1.00 0.00 O ATOM 493 OD2 ASP A1216 -0.054 -7.866 -1.772 1.00 0.00 O ATOM 0 H ASP A1216 -1.397 -7.523 1.045 1.00 0.00 H new ATOM 0 HA ASP A1216 0.101 -9.912 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A1216 0.925 -9.831 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -0.625 -10.558 -0.136 1.00 0.00 H new ATOM 498 N ASN A1217 1.651 -7.475 0.401 1.00 0.00 N ATOM 499 CA ASN A1217 2.822 -6.603 0.453 1.00 0.00 C ATOM 500 C ASN A1217 2.849 -5.648 -0.739 1.00 0.00 C ATOM 501 O ASN A1217 3.912 -5.171 -1.129 1.00 0.00 O ATOM 502 CB ASN A1217 4.123 -7.431 0.483 1.00 0.00 C ATOM 503 CG ASN A1217 4.246 -8.409 -0.678 1.00 0.00 C ATOM 504 OD1 ASN A1217 3.754 -9.538 -0.612 1.00 0.00 O ATOM 505 ND2 ASN A1217 4.909 -7.984 -1.742 1.00 0.00 N ATOM 0 H ASN A1217 1.189 -7.502 -0.508 1.00 0.00 H new ATOM 0 HA ASN A1217 2.753 -6.018 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A1217 4.976 -6.753 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A1217 4.171 -7.984 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A1217 5.028 -8.598 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A1217 5.301 -7.042 -1.756 1.00 0.00 H new ATOM 512 N SER A1218 1.678 -5.361 -1.307 1.00 0.00 N ATOM 513 CA SER A1218 1.575 -4.526 -2.493 1.00 0.00 C ATOM 514 C SER A1218 1.990 -3.082 -2.211 1.00 0.00 C ATOM 515 O SER A1218 2.488 -2.388 -3.094 1.00 0.00 O ATOM 516 CB SER A1218 0.141 -4.570 -3.015 1.00 0.00 C ATOM 517 OG SER A1218 -0.712 -5.273 -2.124 1.00 0.00 O ATOM 0 H SER A1218 0.782 -5.701 -0.957 1.00 0.00 H new ATOM 0 HA SER A1218 2.259 -4.917 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.230 -3.554 -3.151 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.123 -5.050 -3.994 1.00 0.00 H new ATOM 0 HG SER A1218 -0.482 -6.226 -2.134 1.00 0.00 H new ATOM 523 N ASP A1219 1.804 -2.645 -0.971 1.00 0.00 N ATOM 524 CA ASP A1219 2.162 -1.289 -0.563 1.00 0.00 C ATOM 525 C ASP A1219 3.670 -1.135 -0.410 1.00 0.00 C ATOM 526 O ASP A1219 4.189 -0.022 -0.430 1.00 0.00 O ATOM 527 CB ASP A1219 1.473 -0.923 0.755 1.00 0.00 C ATOM 528 CG ASP A1219 1.858 -1.840 1.905 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.617 -3.067 1.805 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.375 -1.345 2.911 1.00 0.00 O ATOM 0 H ASP A1219 1.404 -3.214 -0.225 1.00 0.00 H new ATOM 0 HA ASP A1219 1.823 -0.612 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A1219 1.726 0.104 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.393 -0.959 0.615 1.00 0.00 H new ATOM 535 N GLU A1220 4.360 -2.254 -0.263 1.00 0.00 N ATOM 536 CA GLU A1220 5.806 -2.256 -0.100 1.00 0.00 C ATOM 537 C GLU A1220 6.485 -2.759 -1.373 1.00 0.00 C ATOM 538 O GLU A1220 7.707 -2.905 -1.429 1.00 0.00 O ATOM 539 CB GLU A1220 6.190 -3.134 1.095 1.00 0.00 C ATOM 540 CG GLU A1220 5.682 -2.608 2.428 1.00 0.00 C ATOM 541 CD GLU A1220 6.257 -1.253 2.778 1.00 0.00 C ATOM 542 OE1 GLU A1220 7.487 -1.135 2.884 1.00 0.00 O ATOM 543 OE2 GLU A1220 5.474 -0.295 2.958 1.00 0.00 O ATOM 0 H GLU A1220 3.937 -3.182 -0.253 1.00 0.00 H new ATOM 0 HA GLU A1220 6.144 -1.237 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.797 -4.139 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.276 -3.219 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A1220 4.595 -2.540 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A1220 5.934 -3.319 3.215 1.00 0.00 H new ATOM 550 N ALA A1221 5.679 -3.007 -2.399 1.00 0.00 N ATOM 551 CA ALA A1221 6.179 -3.518 -3.665 1.00 0.00 C ATOM 552 C ALA A1221 5.986 -2.490 -4.771 1.00 0.00 C ATOM 553 O ALA A1221 5.227 -1.529 -4.615 1.00 0.00 O ATOM 554 CB ALA A1221 5.483 -4.826 -4.024 1.00 0.00 C ATOM 0 H ALA A1221 4.670 -2.860 -2.376 1.00 0.00 H new ATOM 0 HA ALA A1221 7.246 -3.712 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.869 -5.195 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A1221 5.672 -5.564 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A1221 4.410 -4.655 -4.110 1.00 0.00 H new ATOM 560 N GLY A1222 6.681 -2.690 -5.882 1.00 0.00 N ATOM 561 CA GLY A1222 6.583 -1.772 -7.001 1.00 0.00 C ATOM 562 C GLY A1222 7.511 -0.588 -6.842 1.00 0.00 C ATOM 563 O GLY A1222 7.314 0.457 -7.460 1.00 0.00 O ATOM 0 H GLY A1222 7.314 -3.476 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A1222 6.822 -2.299 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A1222 5.556 -1.419 -7.092 1.00 0.00 H new ATOM 567 N CYS A1223 8.525 -0.753 -6.010 1.00 0.00 N ATOM 568 CA CYS A1223 9.463 0.310 -5.724 1.00 0.00 C ATOM 569 C CYS A1223 10.797 0.032 -6.408 1.00 0.00 C ATOM 570 O CYS A1223 11.258 -1.111 -6.421 1.00 0.00 O ATOM 571 CB CYS A1223 9.654 0.425 -4.214 1.00 0.00 C ATOM 572 SG CYS A1223 8.839 1.872 -3.464 1.00 0.00 S ATOM 0 H CYS A1223 8.718 -1.625 -5.517 1.00 0.00 H new ATOM 0 HA CYS A1223 9.070 1.252 -6.107 1.00 0.00 H new ATOM 0 HB2 CYS A1223 9.271 -0.479 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A1223 10.721 0.470 -3.997 1.00 0.00 H new ATOM 577 N PRO A1224 11.412 1.061 -7.021 1.00 0.00 N ATOM 578 CA PRO A1224 12.730 0.934 -7.657 1.00 0.00 C ATOM 579 C PRO A1224 13.814 0.505 -6.668 1.00 0.00 C ATOM 580 O PRO A1224 14.161 1.243 -5.742 1.00 0.00 O ATOM 581 CB PRO A1224 13.016 2.339 -8.205 1.00 0.00 C ATOM 582 CG PRO A1224 12.072 3.247 -7.489 1.00 0.00 C ATOM 583 CD PRO A1224 10.862 2.420 -7.162 1.00 0.00 C ATOM 0 HA PRO A1224 12.732 0.164 -8.429 1.00 0.00 H new ATOM 0 HB2 PRO A1224 14.051 2.628 -8.024 1.00 0.00 H new ATOM 0 HB3 PRO A1224 12.858 2.379 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A1224 12.528 3.646 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO A1224 11.804 4.100 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.380 2.757 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A1224 10.113 2.472 -7.953 1.00 0.00 H new ATOM 591 N THR A1225 14.331 -0.699 -6.863 1.00 0.00 N ATOM 592 CA THR A1225 15.307 -1.275 -5.959 1.00 0.00 C ATOM 593 C THR A1225 16.729 -0.965 -6.409 1.00 0.00 C ATOM 594 O THR A1225 16.990 -0.792 -7.602 1.00 0.00 O ATOM 595 CB THR A1225 15.123 -2.800 -5.866 1.00 0.00 C ATOM 596 OG1 THR A1225 14.430 -3.280 -7.028 1.00 0.00 O ATOM 597 CG2 THR A1225 14.350 -3.176 -4.611 1.00 0.00 C ATOM 0 H THR A1225 14.085 -1.300 -7.650 1.00 0.00 H new ATOM 0 HA THR A1225 15.146 -0.829 -4.978 1.00 0.00 H new ATOM 0 HB THR A1225 16.108 -3.263 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A1225 14.317 -4.251 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A1225 14.232 -4.259 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A1225 14.896 -2.834 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A1225 13.367 -2.705 -4.634 1.00 0.00 H new ATOM 605 N ARG A1226 17.638 -0.885 -5.443 1.00 0.00 N ATOM 606 CA ARG A1226 19.051 -0.651 -5.714 1.00 0.00 C ATOM 607 C ARG A1226 19.666 -1.822 -6.478 1.00 0.00 C ATOM 608 O ARG A1226 19.567 -2.972 -6.043 1.00 0.00 O ATOM 609 CB ARG A1226 19.809 -0.449 -4.403 1.00 0.00 C ATOM 610 CG ARG A1226 20.089 1.004 -4.075 1.00 0.00 C ATOM 611 CD ARG A1226 20.690 1.150 -2.687 1.00 0.00 C ATOM 612 NE ARG A1226 19.876 2.003 -1.819 1.00 0.00 N ATOM 613 CZ ARG A1226 20.154 2.246 -0.535 1.00 0.00 C ATOM 614 NH1 ARG A1226 21.225 1.708 0.036 1.00 0.00 N ATOM 615 NH2 ARG A1226 19.357 3.030 0.182 1.00 0.00 N ATOM 0 H ARG A1226 17.416 -0.980 -4.452 1.00 0.00 H new ATOM 0 HA ARG A1226 19.131 0.246 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG A1226 19.233 -0.891 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A1226 20.755 -0.989 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A1226 20.772 1.421 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A1226 19.164 1.578 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A1226 20.793 0.165 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A1226 21.693 1.570 -2.769 1.00 0.00 H new ATOM 0 HE ARG A1226 19.045 2.439 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A1226 21.843 1.104 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A1226 21.430 1.899 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A1226 18.531 3.447 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A1226 19.571 3.215 1.162 1.00 0.00 H new ATOM 629 N PRO A1227 20.277 -1.550 -7.642 1.00 0.00 N ATOM 630 CA PRO A1227 20.985 -2.558 -8.424 1.00 0.00 C ATOM 631 C PRO A1227 22.411 -2.775 -7.910 1.00 0.00 C ATOM 632 O PRO A1227 23.087 -1.816 -7.526 1.00 0.00 O ATOM 633 CB PRO A1227 21.009 -1.968 -9.847 1.00 0.00 C ATOM 634 CG PRO A1227 20.327 -0.635 -9.763 1.00 0.00 C ATOM 635 CD PRO A1227 20.309 -0.248 -8.313 1.00 0.00 C ATOM 0 HA PRO A1227 20.502 -3.534 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A1227 22.033 -1.859 -10.205 1.00 0.00 H new ATOM 0 HB3 PRO A1227 20.494 -2.624 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A1227 20.859 0.109 -10.355 1.00 0.00 H new ATOM 0 HG3 PRO A1227 19.314 -0.693 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A1227 21.190 0.331 -8.036 1.00 0.00 H new ATOM 0 HD3 PRO A1227 19.438 0.359 -8.065 1.00 0.00 H new ATOM 643 N PRO A1228 22.882 -4.035 -7.872 1.00 0.00 N ATOM 644 CA PRO A1228 24.247 -4.360 -7.426 1.00 0.00 C ATOM 645 C PRO A1228 25.320 -3.754 -8.335 1.00 0.00 C ATOM 646 O PRO A1228 25.351 -4.017 -9.542 1.00 0.00 O ATOM 647 CB PRO A1228 24.296 -5.892 -7.485 1.00 0.00 C ATOM 648 CG PRO A1228 23.193 -6.286 -8.407 1.00 0.00 C ATOM 649 CD PRO A1228 22.125 -5.244 -8.244 1.00 0.00 C ATOM 0 HA PRO A1228 24.453 -3.955 -6.435 1.00 0.00 H new ATOM 0 HB2 PRO A1228 25.261 -6.241 -7.854 1.00 0.00 H new ATOM 0 HB3 PRO A1228 24.157 -6.328 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A1228 23.543 -6.328 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A1228 22.812 -7.277 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A1228 21.562 -5.098 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A1228 21.407 -5.522 -7.473 1.00 0.00 H new ATOM 657 N GLY A1229 26.179 -2.927 -7.754 1.00 0.00 N ATOM 658 CA GLY A1229 27.228 -2.284 -8.514 1.00 0.00 C ATOM 659 C GLY A1229 28.489 -2.116 -7.700 1.00 0.00 C ATOM 660 O GLY A1229 28.618 -1.089 -7.007 1.00 0.00 O ATOM 661 OXT GLY A1229 29.348 -3.016 -7.740 1.00 0.00 O ATOM 0 H GLY A1229 26.166 -2.690 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A1229 27.446 -2.874 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A1229 26.883 -1.308 -8.856 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.364 0.460 4.341 1.00 0.00 CA