USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 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 221 CYS SG : rot -140:sc= -0.628 USER MOD Set 1.2: A 223 ASN : amide:sc= -0.0281 K(o=-7.6,f=-9.6!) USER MOD Set 1.3: A 225 CYS SG : rot 140:sc= -3.05! USER MOD Set 1.4: A 238 HIS : no HD1:sc= -2.86 K(o=-7.6,f=-13!) USER MOD Set 1.5: A 242 SER OG : rot -124:sc= 0.846 USER MOD Set 1.6: A 243 CYS SG : rot 112:sc= -1.84 USER MOD Set 2.1: A 195 CYS SG : rot 120:sc= 0.281 USER MOD Set 2.2: A 198 CYS SG : rot -63:sc= -1.62 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -0.281 K(o=-2.2,f=-4) USER MOD Set 2.4: A 214 CYS SG : rot 142:sc= -0.564 USER MOD Single : A 192 THR OG1 : rot -22:sc= 0.205 USER MOD Single : A 193 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.15) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 4:sc= 0.378 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -23:sc= 0.663 USER MOD Single : A 208 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.2) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -17.516 -8.640 6.493 1.00 0.00 N ATOM 113 CA THR A 192 -16.275 -7.886 6.365 1.00 0.00 C ATOM 114 C THR A 192 -15.357 -8.133 7.557 1.00 0.00 C ATOM 115 O THR A 192 -15.793 -8.088 8.707 1.00 0.00 O ATOM 116 CB THR A 192 -16.546 -6.375 6.244 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.463 -5.958 7.261 1.00 0.00 O ATOM 118 CG2 THR A 192 -17.111 -6.034 4.873 1.00 0.00 C ATOM 0 HA THR A 192 -15.786 -8.233 5.455 1.00 0.00 H new ATOM 0 HB THR A 192 -15.600 -5.848 6.371 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.981 -6.730 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.294 -4.961 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.397 -6.325 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 192 -18.047 -6.571 4.721 1.00 0.00 H new ATOM 126 N GLN A 193 -14.084 -8.391 7.274 1.00 0.00 N ATOM 127 CA GLN A 193 -13.105 -8.645 8.324 1.00 0.00 C ATOM 128 C GLN A 193 -12.148 -7.466 8.472 1.00 0.00 C ATOM 129 O GLN A 193 -11.240 -7.268 7.666 1.00 0.00 O ATOM 130 CB GLN A 193 -12.318 -9.921 8.020 1.00 0.00 C ATOM 131 CG GLN A 193 -13.145 -11.190 8.148 1.00 0.00 C ATOM 132 CD GLN A 193 -12.314 -12.387 8.567 1.00 0.00 C ATOM 133 OE1 GLN A 193 -11.598 -12.341 9.568 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.406 -13.469 7.802 1.00 0.00 N ATOM 0 H GLN A 193 -13.707 -8.430 6.327 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.642 -8.774 9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.917 -9.859 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.466 -9.983 8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.939 -11.030 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -13.627 -11.403 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -13.012 -13.463 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -11.871 -14.305 8.035 1.00 0.00 H new ATOM 143 N PRO A 194 -12.356 -6.664 9.527 1.00 0.00 N ATOM 144 CA PRO A 194 -11.521 -5.491 9.806 1.00 0.00 C ATOM 145 C PRO A 194 -10.113 -5.874 10.249 1.00 0.00 C ATOM 146 O PRO A 194 -9.889 -6.218 11.410 1.00 0.00 O ATOM 147 CB PRO A 194 -12.267 -4.787 10.942 1.00 0.00 C ATOM 148 CG PRO A 194 -13.043 -5.868 11.613 1.00 0.00 C ATOM 149 CD PRO A 194 -13.420 -6.840 10.529 1.00 0.00 C ATOM 0 HA PRO A 194 -11.381 -4.870 8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.574 -4.309 11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.925 -4.006 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.447 -6.355 12.384 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.930 -5.466 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.455 -7.864 10.902 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.403 -6.618 10.114 1.00 0.00 H new ATOM 157 N CYS A 195 -9.167 -5.810 9.318 1.00 0.00 N ATOM 158 CA CYS A 195 -7.780 -6.150 9.612 1.00 0.00 C ATOM 159 C CYS A 195 -7.286 -5.399 10.845 1.00 0.00 C ATOM 160 O CYS A 195 -7.607 -4.226 11.042 1.00 0.00 O ATOM 161 CB CYS A 195 -6.889 -5.825 8.412 1.00 0.00 C ATOM 162 SG CYS A 195 -5.154 -6.342 8.613 1.00 0.00 S ATOM 0 H CYS A 195 -9.336 -5.526 8.353 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.729 -7.220 9.815 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.301 -6.308 7.526 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.918 -4.750 8.232 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.843 -7.190 7.678 1.00 0.00 H new ATOM 167 N THR A 196 -6.503 -6.083 11.673 1.00 0.00 N ATOM 168 CA THR A 196 -5.964 -5.482 12.887 1.00 0.00 C ATOM 169 C THR A 196 -4.650 -4.762 12.608 1.00 0.00 C ATOM 170 O THR A 196 -4.254 -3.864 13.351 1.00 0.00 O ATOM 171 CB THR A 196 -5.734 -6.540 13.983 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.954 -7.240 14.251 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.223 -5.893 15.261 1.00 0.00 C ATOM 0 H THR A 196 -6.228 -7.054 11.525 1.00 0.00 H new ATOM 0 HA THR A 196 -6.703 -4.761 13.237 1.00 0.00 H new ATOM 0 HB THR A 196 -4.982 -7.244 13.626 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.799 -7.912 14.947 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.068 -6.660 16.020 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.280 -5.386 15.060 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.955 -5.169 15.620 1.00 0.00 H new ATOM 181 N TYR A 197 -3.979 -5.161 11.533 1.00 0.00 N ATOM 182 CA TYR A 197 -2.708 -4.553 11.158 1.00 0.00 C ATOM 183 C TYR A 197 -2.921 -3.158 10.579 1.00 0.00 C ATOM 184 O TYR A 197 -2.568 -2.155 11.199 1.00 0.00 O ATOM 185 CB TYR A 197 -1.979 -5.434 10.141 1.00 0.00 C ATOM 186 CG TYR A 197 -1.307 -6.640 10.757 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.028 -7.541 11.532 1.00 0.00 C ATOM 188 CD2 TYR A 197 0.048 -6.880 10.564 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.418 -8.644 12.097 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.665 -7.981 11.124 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.072 -8.860 11.890 1.00 0.00 C ATOM 192 OH TYR A 197 0.540 -9.958 12.450 1.00 0.00 O ATOM 0 H TYR A 197 -4.294 -5.902 10.907 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.097 -4.464 12.056 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.691 -5.771 9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.229 -4.835 9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.083 -7.376 11.695 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.629 -6.193 9.966 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.992 -9.334 12.698 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.719 -8.153 10.963 1.00 0.00 H new ATOM 0 HH TYR A 197 1.489 -9.963 12.206 1.00 0.00 H new ATOM 202 N CYS A 198 -3.501 -3.102 9.385 1.00 0.00 N ATOM 203 CA CYS A 198 -3.763 -1.831 8.720 1.00 0.00 C ATOM 204 C CYS A 198 -4.990 -1.148 9.316 1.00 0.00 C ATOM 205 O CYS A 198 -5.333 -0.025 8.942 1.00 0.00 O ATOM 206 CB CYS A 198 -3.965 -2.050 7.219 1.00 0.00 C ATOM 207 SG CYS A 198 -5.393 -3.104 6.807 1.00 0.00 S ATOM 0 H CYS A 198 -3.799 -3.923 8.858 1.00 0.00 H new ATOM 0 HA CYS A 198 -2.899 -1.184 8.873 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.090 -1.081 6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.063 -2.500 6.804 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.205 -4.297 7.288 1.00 0.00 H new ATOM 212 N THR A 199 -5.649 -1.833 10.245 1.00 0.00 N ATOM 213 CA THR A 199 -6.838 -1.293 10.893 1.00 0.00 C ATOM 214 C THR A 199 -7.851 -0.806 9.863 1.00 0.00 C ATOM 215 O THR A 199 -8.500 0.223 10.054 1.00 0.00 O ATOM 216 CB THR A 199 -6.484 -0.130 11.838 1.00 0.00 C ATOM 217 OG1 THR A 199 -5.962 0.971 11.086 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.464 -0.569 12.878 1.00 0.00 C ATOM 0 H THR A 199 -5.379 -2.763 10.566 1.00 0.00 H new ATOM 0 HA THR A 199 -7.276 -2.103 11.476 1.00 0.00 H new ATOM 0 HB THR A 199 -7.393 0.181 12.352 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.009 0.765 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.229 0.269 13.534 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.876 -1.388 13.468 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.555 -0.903 12.378 1.00 0.00 H new ATOM 226 N LYS A 200 -7.984 -1.552 8.772 1.00 0.00 N ATOM 227 CA LYS A 200 -8.921 -1.198 7.712 1.00 0.00 C ATOM 228 C LYS A 200 -10.061 -2.208 7.634 1.00 0.00 C ATOM 229 O LYS A 200 -10.106 -3.167 8.403 1.00 0.00 O ATOM 230 CB LYS A 200 -8.196 -1.126 6.366 1.00 0.00 C ATOM 231 CG LYS A 200 -7.110 -0.066 6.316 1.00 0.00 C ATOM 232 CD LYS A 200 -6.528 0.071 4.919 1.00 0.00 C ATOM 233 CE LYS A 200 -7.441 0.880 4.011 1.00 0.00 C ATOM 234 NZ LYS A 200 -7.246 2.346 4.194 1.00 0.00 N ATOM 0 H LYS A 200 -7.454 -2.406 8.598 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.341 -0.220 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.753 -2.098 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -8.925 -0.925 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -7.520 0.892 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.317 -0.323 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -5.551 0.552 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -6.371 -0.919 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.248 0.615 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -8.480 0.623 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -7.886 2.863 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -7.455 2.604 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.261 2.596 3.972 1.00 0.00 H new ATOM 248 N GLU A 201 -10.980 -1.985 6.699 1.00 0.00 N ATOM 249 CA GLU A 201 -12.120 -2.877 6.522 1.00 0.00 C ATOM 250 C GLU A 201 -12.073 -3.554 5.155 1.00 0.00 C ATOM 251 O GLU A 201 -12.055 -2.887 4.120 1.00 0.00 O ATOM 252 CB GLU A 201 -13.430 -2.103 6.675 1.00 0.00 C ATOM 253 CG GLU A 201 -13.605 -1.467 8.044 1.00 0.00 C ATOM 254 CD GLU A 201 -15.062 -1.247 8.404 1.00 0.00 C ATOM 255 OE1 GLU A 201 -15.717 -2.213 8.847 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.546 -0.107 8.242 1.00 0.00 O ATOM 0 H GLU A 201 -10.957 -1.196 6.054 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.070 -3.647 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.473 -1.324 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.265 -2.778 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.141 -2.103 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.081 -0.511 8.066 1.00 0.00 H new ATOM 263 N PHE A 202 -12.054 -4.883 5.159 1.00 0.00 N ATOM 264 CA PHE A 202 -12.008 -5.651 3.921 1.00 0.00 C ATOM 265 C PHE A 202 -12.958 -6.843 3.984 1.00 0.00 C ATOM 266 O PHE A 202 -13.570 -7.109 5.019 1.00 0.00 O ATOM 267 CB PHE A 202 -10.582 -6.134 3.648 1.00 0.00 C ATOM 268 CG PHE A 202 -9.644 -5.035 3.237 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.823 -4.368 2.036 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.585 -4.669 4.051 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.962 -3.357 1.654 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.720 -3.658 3.675 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.910 -3.001 2.476 1.00 0.00 C ATOM 0 H PHE A 202 -12.070 -5.450 6.007 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.325 -4.999 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.193 -6.616 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.607 -6.891 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.645 -4.641 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.433 -5.179 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.111 -2.846 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.897 -3.383 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.237 -2.210 2.181 1.00 0.00 H new ATOM 283 N VAL A 203 -13.076 -7.558 2.870 1.00 0.00 N ATOM 284 CA VAL A 203 -13.951 -8.722 2.798 1.00 0.00 C ATOM 285 C VAL A 203 -13.176 -10.009 3.059 1.00 0.00 C ATOM 286 O VAL A 203 -11.967 -10.075 2.834 1.00 0.00 O ATOM 287 CB VAL A 203 -14.641 -8.822 1.425 1.00 0.00 C ATOM 288 CG1 VAL A 203 -13.632 -9.181 0.345 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.771 -9.839 1.470 1.00 0.00 C ATOM 0 H VAL A 203 -12.577 -7.352 2.005 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.710 -8.595 3.570 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.068 -7.849 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.138 -9.247 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -12.861 -8.412 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -13.173 -10.141 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -16.248 -9.897 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.370 -10.817 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -16.506 -9.533 2.214 1.00 0.00 H new ATOM 299 N PHE A 204 -13.879 -11.031 3.536 1.00 0.00 N ATOM 300 CA PHE A 204 -13.257 -12.317 3.829 1.00 0.00 C ATOM 301 C PHE A 204 -12.689 -12.947 2.561 1.00 0.00 C ATOM 302 O PHE A 204 -11.760 -13.753 2.618 1.00 0.00 O ATOM 303 CB PHE A 204 -14.273 -13.264 4.472 1.00 0.00 C ATOM 304 CG PHE A 204 -15.007 -14.118 3.479 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.886 -13.550 2.571 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.820 -15.491 3.454 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.563 -14.333 1.656 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.494 -16.280 2.541 1.00 0.00 C ATOM 309 CZ PHE A 204 -16.368 -15.700 1.642 1.00 0.00 C ATOM 0 H PHE A 204 -14.880 -10.994 3.728 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.438 -12.146 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.757 -13.909 5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.996 -12.678 5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.044 -12.482 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -14.140 -15.950 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.244 -13.877 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -15.338 -17.349 2.530 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.898 -16.315 0.929 1.00 0.00 H new ATOM 319 N ASP A 205 -13.254 -12.575 1.418 1.00 0.00 N ATOM 320 CA ASP A 205 -12.804 -13.102 0.135 1.00 0.00 C ATOM 321 C ASP A 205 -11.407 -12.591 -0.204 1.00 0.00 C ATOM 322 O ASP A 205 -10.720 -13.149 -1.060 1.00 0.00 O ATOM 323 CB ASP A 205 -13.785 -12.715 -0.973 1.00 0.00 C ATOM 324 CG ASP A 205 -13.706 -13.645 -2.167 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.694 -13.589 -2.896 1.00 0.00 O ATOM 326 OD2 ASP A 205 -14.657 -14.428 -2.374 1.00 0.00 O ATOM 0 H ASP A 205 -14.025 -11.910 1.354 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.765 -14.189 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.800 -12.725 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.579 -11.695 -1.297 1.00 0.00 H new ATOM 331 N THR A 206 -10.993 -11.524 0.473 1.00 0.00 N ATOM 332 CA THR A 206 -9.680 -10.935 0.242 1.00 0.00 C ATOM 333 C THR A 206 -8.774 -11.122 1.453 1.00 0.00 C ATOM 334 O THR A 206 -7.595 -11.450 1.313 1.00 0.00 O ATOM 335 CB THR A 206 -9.787 -9.432 -0.077 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.481 -8.755 0.976 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.513 -9.209 -1.395 1.00 0.00 C ATOM 0 H THR A 206 -11.548 -11.050 1.186 1.00 0.00 H new ATOM 0 HA THR A 206 -9.248 -11.451 -0.615 1.00 0.00 H new ATOM 0 HB THR A 206 -8.778 -9.029 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.042 -9.395 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.576 -8.140 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 206 -9.966 -9.700 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.518 -9.627 -1.332 1.00 0.00 H new ATOM 345 N ILE A 207 -9.330 -10.912 2.641 1.00 0.00 N ATOM 346 CA ILE A 207 -8.571 -11.060 3.877 1.00 0.00 C ATOM 347 C ILE A 207 -7.533 -12.170 3.755 1.00 0.00 C ATOM 348 O ILE A 207 -6.452 -12.089 4.338 1.00 0.00 O ATOM 349 CB ILE A 207 -9.494 -11.364 5.072 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.824 -10.943 6.381 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.849 -12.843 5.103 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.912 -9.458 6.655 1.00 0.00 C ATOM 0 H ILE A 207 -10.304 -10.639 2.774 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.065 -10.111 4.052 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.415 -10.792 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.286 -11.484 7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.775 -11.238 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.502 -13.043 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.362 -13.113 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.938 -13.434 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.416 -9.232 7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.425 -8.910 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.959 -9.160 6.715 1.00 0.00 H new ATOM 364 N GLN A 208 -7.868 -13.205 2.991 1.00 0.00 N ATOM 365 CA GLN A 208 -6.964 -14.331 2.792 1.00 0.00 C ATOM 366 C GLN A 208 -5.679 -13.882 2.105 1.00 0.00 C ATOM 367 O GLN A 208 -4.578 -14.194 2.560 1.00 0.00 O ATOM 368 CB GLN A 208 -7.647 -15.420 1.962 1.00 0.00 C ATOM 369 CG GLN A 208 -8.763 -16.139 2.701 1.00 0.00 C ATOM 370 CD GLN A 208 -8.284 -16.805 3.976 1.00 0.00 C ATOM 371 OE1 GLN A 208 -8.341 -16.217 5.057 1.00 0.00 O ATOM 372 NE2 GLN A 208 -7.808 -18.039 3.857 1.00 0.00 N ATOM 0 H GLN A 208 -8.758 -13.287 2.500 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.708 -14.737 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -8.053 -14.973 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.900 -16.150 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -9.552 -15.427 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -9.202 -16.891 2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -7.779 -18.488 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -7.471 -18.537 4.681 1.00 0.00 H new ATOM 381 N SER A 209 -5.826 -13.149 1.006 1.00 0.00 N ATOM 382 CA SER A 209 -4.676 -12.660 0.254 1.00 0.00 C ATOM 383 C SER A 209 -4.151 -11.357 0.849 1.00 0.00 C ATOM 384 O SER A 209 -2.944 -11.177 1.010 1.00 0.00 O ATOM 385 CB SER A 209 -5.053 -12.448 -1.214 1.00 0.00 C ATOM 386 OG SER A 209 -3.919 -12.571 -2.054 1.00 0.00 O ATOM 0 H SER A 209 -6.730 -12.881 0.617 1.00 0.00 H new ATOM 0 HA SER A 209 -3.888 -13.410 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.808 -13.177 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.497 -11.461 -1.340 1.00 0.00 H new ATOM 0 HG SER A 209 -4.186 -12.433 -2.987 1.00 0.00 H new ATOM 392 N HIS A 210 -5.067 -10.451 1.174 1.00 0.00 N ATOM 393 CA HIS A 210 -4.698 -9.164 1.753 1.00 0.00 C ATOM 394 C HIS A 210 -3.653 -9.341 2.850 1.00 0.00 C ATOM 395 O HIS A 210 -2.618 -8.675 2.847 1.00 0.00 O ATOM 396 CB HIS A 210 -5.933 -8.461 2.317 1.00 0.00 C ATOM 397 CG HIS A 210 -5.611 -7.394 3.317 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.206 -6.125 2.960 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.637 -7.412 4.671 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.995 -5.409 4.050 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.250 -6.167 5.102 1.00 0.00 N ATOM 0 H HIS A 210 -6.070 -10.584 1.046 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.268 -8.548 0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.496 -8.019 1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.581 -9.202 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.911 -8.250 5.295 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.670 -4.380 4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -5.172 -5.875 6.076 1.00 0.00 H new ATOM 409 N GLN A 211 -3.932 -10.242 3.786 1.00 0.00 N ATOM 410 CA GLN A 211 -3.016 -10.505 4.890 1.00 0.00 C ATOM 411 C GLN A 211 -1.567 -10.333 4.447 1.00 0.00 C ATOM 412 O GLN A 211 -0.728 -9.851 5.209 1.00 0.00 O ATOM 413 CB GLN A 211 -3.232 -11.919 5.434 1.00 0.00 C ATOM 414 CG GLN A 211 -4.281 -11.995 6.531 1.00 0.00 C ATOM 415 CD GLN A 211 -4.427 -13.391 7.102 1.00 0.00 C ATOM 416 OE1 GLN A 211 -3.476 -13.958 7.641 1.00 0.00 O ATOM 417 NE2 GLN A 211 -5.624 -13.955 6.988 1.00 0.00 N ATOM 0 H GLN A 211 -4.784 -10.802 3.802 1.00 0.00 H new ATOM 0 HA GLN A 211 -3.223 -9.784 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.528 -12.574 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -2.286 -12.299 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -4.015 -11.305 7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -5.241 -11.667 6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -6.385 -13.450 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -5.783 -14.894 7.355 1.00 0.00 H new ATOM 426 N TYR A 212 -1.279 -10.731 3.213 1.00 0.00 N ATOM 427 CA TYR A 212 0.069 -10.624 2.670 1.00 0.00 C ATOM 428 C TYR A 212 0.355 -9.201 2.197 1.00 0.00 C ATOM 429 O TYR A 212 1.392 -8.625 2.522 1.00 0.00 O ATOM 430 CB TYR A 212 0.255 -11.605 1.512 1.00 0.00 C ATOM 431 CG TYR A 212 0.740 -12.970 1.946 1.00 0.00 C ATOM 432 CD1 TYR A 212 -0.150 -13.930 2.409 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.089 -13.299 1.892 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.289 -15.178 2.808 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.537 -14.545 2.287 1.00 0.00 C ATOM 436 CZ TYR A 212 1.633 -15.480 2.745 1.00 0.00 C ATOM 437 OH TYR A 212 2.074 -16.723 3.139 1.00 0.00 O ATOM 0 H TYR A 212 -1.962 -11.131 2.570 1.00 0.00 H new ATOM 0 HA TYR A 212 0.773 -10.872 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.693 -11.716 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.967 -11.185 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.203 -13.697 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.800 -12.568 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.416 -15.913 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.589 -14.785 2.237 1.00 0.00 H new ATOM 0 HH TYR A 212 3.047 -16.774 3.031 1.00 0.00 H new ATOM 447 N GLN A 213 -0.575 -8.643 1.429 1.00 0.00 N ATOM 448 CA GLN A 213 -0.424 -7.288 0.911 1.00 0.00 C ATOM 449 C GLN A 213 -0.232 -6.289 2.047 1.00 0.00 C ATOM 450 O GLN A 213 0.625 -5.408 1.975 1.00 0.00 O ATOM 451 CB GLN A 213 -1.645 -6.900 0.075 1.00 0.00 C ATOM 452 CG GLN A 213 -1.861 -7.792 -1.137 1.00 0.00 C ATOM 453 CD GLN A 213 -3.295 -7.772 -1.629 1.00 0.00 C ATOM 454 OE1 GLN A 213 -4.149 -7.091 -1.060 1.00 0.00 O ATOM 455 NE2 GLN A 213 -3.567 -8.520 -2.691 1.00 0.00 N ATOM 0 H GLN A 213 -1.440 -9.107 1.152 1.00 0.00 H new ATOM 0 HA GLN A 213 0.463 -7.265 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.533 -6.937 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.533 -5.868 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.200 -7.471 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.582 -8.815 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -2.828 -9.069 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -4.515 -8.546 -3.067 1.00 0.00 H new ATOM 464 N CYS A 214 -1.036 -6.432 3.095 1.00 0.00 N ATOM 465 CA CYS A 214 -0.956 -5.542 4.247 1.00 0.00 C ATOM 466 C CYS A 214 0.483 -5.099 4.494 1.00 0.00 C ATOM 467 O CYS A 214 1.363 -5.903 4.802 1.00 0.00 O ATOM 468 CB CYS A 214 -1.508 -6.236 5.494 1.00 0.00 C ATOM 469 SG CYS A 214 -2.130 -5.093 6.768 1.00 0.00 S ATOM 0 H CYS A 214 -1.751 -7.156 3.170 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.558 -4.659 4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.315 -6.905 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.724 -6.856 5.929 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.198 -5.593 7.315 1.00 0.00 H new ATOM 474 N PRO A 215 0.730 -3.788 4.356 1.00 0.00 N ATOM 475 CA PRO A 215 2.061 -3.207 4.560 1.00 0.00 C ATOM 476 C PRO A 215 2.487 -3.233 6.024 1.00 0.00 C ATOM 477 O PRO A 215 3.608 -3.626 6.347 1.00 0.00 O ATOM 478 CB PRO A 215 1.896 -1.764 4.077 1.00 0.00 C ATOM 479 CG PRO A 215 0.445 -1.472 4.243 1.00 0.00 C ATOM 480 CD PRO A 215 -0.270 -2.771 3.991 1.00 0.00 C ATOM 0 HA PRO A 215 2.834 -3.763 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.507 -1.078 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.205 -1.657 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.234 -1.098 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.119 -0.704 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.171 -2.858 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.577 -2.865 2.949 1.00 0.00 H new ATOM 488 N ARG A 216 1.585 -2.814 6.905 1.00 0.00 N ATOM 489 CA ARG A 216 1.868 -2.789 8.335 1.00 0.00 C ATOM 490 C ARG A 216 2.591 -4.061 8.768 1.00 0.00 C ATOM 491 O ARG A 216 3.313 -4.068 9.767 1.00 0.00 O ATOM 492 CB ARG A 216 0.571 -2.632 9.131 1.00 0.00 C ATOM 493 CG ARG A 216 0.186 -1.184 9.388 1.00 0.00 C ATOM 494 CD ARG A 216 1.145 -0.517 10.361 1.00 0.00 C ATOM 495 NE ARG A 216 1.138 -1.167 11.669 1.00 0.00 N ATOM 496 CZ ARG A 216 0.249 -0.898 12.618 1.00 0.00 C ATOM 497 NH1 ARG A 216 -0.701 0.002 12.406 1.00 0.00 N ATOM 498 NH2 ARG A 216 0.308 -1.532 13.782 1.00 0.00 N ATOM 0 H ARG A 216 0.652 -2.487 6.654 1.00 0.00 H new ATOM 0 HA ARG A 216 2.516 -1.936 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.238 -3.124 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.676 -3.146 10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 216 0.181 -0.635 8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -0.827 -1.141 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 216 2.154 -0.541 9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.873 0.532 10.476 1.00 0.00 H new ATOM 0 HE ARG A 216 1.855 -1.866 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -0.751 0.490 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -1.382 0.206 13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 216 1.036 -2.226 13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -0.375 -1.325 14.511 1.00 0.00 H new ATOM 512 N LEU A 217 2.393 -5.135 8.012 1.00 0.00 N ATOM 513 CA LEU A 217 3.026 -6.413 8.318 1.00 0.00 C ATOM 514 C LEU A 217 4.529 -6.243 8.517 1.00 0.00 C ATOM 515 O LEU A 217 5.217 -5.606 7.719 1.00 0.00 O ATOM 516 CB LEU A 217 2.759 -7.418 7.196 1.00 0.00 C ATOM 517 CG LEU A 217 3.144 -8.869 7.489 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.989 -9.604 8.151 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.567 -9.577 6.210 1.00 0.00 C ATOM 0 H LEU A 217 1.799 -5.146 7.183 1.00 0.00 H new ATOM 0 HA LEU A 217 2.596 -6.790 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.697 -7.387 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 217 3.299 -7.092 6.307 1.00 0.00 H new ATOM 0 HG LEU A 217 3.989 -8.869 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.281 -10.635 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.733 -9.110 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.124 -9.595 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.837 -10.608 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.741 -9.567 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.426 -9.064 5.777 1.00 0.00 H new ATOM 531 N PRO A 218 5.052 -6.827 9.605 1.00 0.00 N ATOM 532 CA PRO A 218 6.479 -6.756 9.933 1.00 0.00 C ATOM 533 C PRO A 218 7.337 -7.565 8.966 1.00 0.00 C ATOM 534 O PRO A 218 6.984 -8.685 8.595 1.00 0.00 O ATOM 535 CB PRO A 218 6.550 -7.354 11.340 1.00 0.00 C ATOM 536 CG PRO A 218 5.363 -8.249 11.431 1.00 0.00 C ATOM 537 CD PRO A 218 4.291 -7.602 10.599 1.00 0.00 C ATOM 0 HA PRO A 218 6.862 -5.737 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.476 -7.909 11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.519 -6.576 12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.597 -9.246 11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.039 -8.363 12.465 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.648 -8.343 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.647 -6.961 11.201 1.00 0.00 H new ATOM 545 N VAL A 219 8.465 -6.992 8.561 1.00 0.00 N ATOM 546 CA VAL A 219 9.374 -7.661 7.638 1.00 0.00 C ATOM 547 C VAL A 219 10.823 -7.507 8.085 1.00 0.00 C ATOM 548 O VAL A 219 11.227 -6.447 8.563 1.00 0.00 O ATOM 549 CB VAL A 219 9.229 -7.109 6.207 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.884 -7.504 5.616 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.400 -5.598 6.200 1.00 0.00 C ATOM 0 H VAL A 219 8.772 -6.066 8.858 1.00 0.00 H new ATOM 0 HA VAL A 219 9.106 -8.717 7.641 1.00 0.00 H new ATOM 0 HB VAL A 219 10.013 -7.544 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.800 -7.105 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.805 -8.591 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 219 7.082 -7.099 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.295 -5.225 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.639 -5.143 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.389 -5.342 6.580 1.00 0.00 H new ATOM 561 N ALA A 220 11.602 -8.572 7.927 1.00 0.00 N ATOM 562 CA ALA A 220 13.008 -8.555 8.312 1.00 0.00 C ATOM 563 C ALA A 220 13.801 -7.577 7.452 1.00 0.00 C ATOM 564 O ALA A 220 13.683 -7.574 6.226 1.00 0.00 O ATOM 565 CB ALA A 220 13.601 -9.952 8.208 1.00 0.00 C ATOM 0 H ALA A 220 11.283 -9.458 7.535 1.00 0.00 H new ATOM 0 HA ALA A 220 13.071 -8.222 9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.651 -9.924 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 220 13.059 -10.627 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.518 -10.307 7.181 1.00 0.00 H new ATOM 571 N CYS A 221 14.609 -6.745 8.102 1.00 0.00 N ATOM 572 CA CYS A 221 15.421 -5.760 7.398 1.00 0.00 C ATOM 573 C CYS A 221 16.421 -6.444 6.470 1.00 0.00 C ATOM 574 O CYS A 221 17.060 -7.434 6.826 1.00 0.00 O ATOM 575 CB CYS A 221 16.161 -4.870 8.397 1.00 0.00 C ATOM 576 SG CYS A 221 17.302 -3.677 7.627 1.00 0.00 S ATOM 0 H CYS A 221 14.718 -6.734 9.116 1.00 0.00 H new ATOM 0 HA CYS A 221 14.756 -5.141 6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.429 -4.324 8.993 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.723 -5.503 9.084 1.00 0.00 H new ATOM 0 HG CYS A 221 18.389 -3.597 8.335 1.00 0.00 H new ATOM 581 N PRO A 222 16.561 -5.904 5.250 1.00 0.00 N ATOM 582 CA PRO A 222 17.482 -6.444 4.246 1.00 0.00 C ATOM 583 C PRO A 222 18.943 -6.221 4.620 1.00 0.00 C ATOM 584 O PRO A 222 19.807 -7.037 4.302 1.00 0.00 O ATOM 585 CB PRO A 222 17.128 -5.659 2.980 1.00 0.00 C ATOM 586 CG PRO A 222 16.544 -4.382 3.478 1.00 0.00 C ATOM 587 CD PRO A 222 15.831 -4.724 4.757 1.00 0.00 C ATOM 0 HA PRO A 222 17.378 -7.524 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 222 18.011 -5.478 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 222 16.416 -6.205 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.322 -3.639 3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.855 -3.957 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.869 -3.901 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.778 -4.947 4.583 1.00 0.00 H new ATOM 595 N ASN A 223 19.213 -5.109 5.297 1.00 0.00 N ATOM 596 CA ASN A 223 20.571 -4.779 5.714 1.00 0.00 C ATOM 597 C ASN A 223 20.952 -5.541 6.980 1.00 0.00 C ATOM 598 O ASN A 223 22.087 -5.457 7.448 1.00 0.00 O ATOM 599 CB ASN A 223 20.700 -3.273 5.954 1.00 0.00 C ATOM 600 CG ASN A 223 20.972 -2.506 4.674 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.162 -3.097 3.611 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.991 -1.181 4.772 1.00 0.00 N ATOM 0 H ASN A 223 18.510 -4.422 5.568 1.00 0.00 H new ATOM 0 HA ASN A 223 21.252 -5.074 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.783 -2.900 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.507 -3.088 6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 223 21.168 -0.611 3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.828 -0.734 5.674 1.00 0.00 H new ATOM 609 N GLN A 224 19.995 -6.284 7.527 1.00 0.00 N ATOM 610 CA GLN A 224 20.231 -7.061 8.739 1.00 0.00 C ATOM 611 C GLN A 224 20.979 -6.234 9.779 1.00 0.00 C ATOM 612 O GLN A 224 21.962 -6.692 10.362 1.00 0.00 O ATOM 613 CB GLN A 224 21.023 -8.328 8.411 1.00 0.00 C ATOM 614 CG GLN A 224 20.189 -9.412 7.749 1.00 0.00 C ATOM 615 CD GLN A 224 21.015 -10.325 6.864 1.00 0.00 C ATOM 616 OE1 GLN A 224 22.076 -10.804 7.266 1.00 0.00 O ATOM 617 NE2 GLN A 224 20.532 -10.572 5.652 1.00 0.00 N ATOM 0 H GLN A 224 19.050 -6.364 7.151 1.00 0.00 H new ATOM 0 HA GLN A 224 19.263 -7.343 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.853 -8.068 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.456 -8.724 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.696 -10.006 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 224 19.404 -8.948 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.649 -10.154 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 224 21.044 -11.180 5.013 1.00 0.00 H new ATOM 626 N CYS A 225 20.507 -5.012 10.007 1.00 0.00 N ATOM 627 CA CYS A 225 21.132 -4.120 10.976 1.00 0.00 C ATOM 628 C CYS A 225 21.009 -4.681 12.390 1.00 0.00 C ATOM 629 O CYS A 225 21.991 -4.758 13.126 1.00 0.00 O ATOM 630 CB CYS A 225 20.492 -2.732 10.909 1.00 0.00 C ATOM 631 SG CYS A 225 18.676 -2.742 11.062 1.00 0.00 S ATOM 0 H CYS A 225 19.694 -4.618 9.534 1.00 0.00 H new ATOM 0 HA CYS A 225 22.190 -4.038 10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.909 -2.113 11.703 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.764 -2.264 9.963 1.00 0.00 H new ATOM 0 HG CYS A 225 18.297 -1.742 11.801 1.00 0.00 H new ATOM 636 N GLY A 226 19.793 -5.072 12.763 1.00 0.00 N ATOM 637 CA GLY A 226 19.564 -5.621 14.086 1.00 0.00 C ATOM 638 C GLY A 226 18.123 -5.470 14.534 1.00 0.00 C ATOM 639 O GLY A 226 17.571 -6.359 15.183 1.00 0.00 O ATOM 0 H GLY A 226 18.963 -5.018 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.834 -6.677 14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.218 -5.122 14.801 1.00 0.00 H new ATOM 643 N VAL A 227 17.513 -4.341 14.189 1.00 0.00 N ATOM 644 CA VAL A 227 16.128 -4.077 14.560 1.00 0.00 C ATOM 645 C VAL A 227 15.304 -5.360 14.560 1.00 0.00 C ATOM 646 O VAL A 227 14.427 -5.547 15.403 1.00 0.00 O ATOM 647 CB VAL A 227 15.474 -3.061 13.605 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.566 -3.546 12.166 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.027 -2.812 14.001 1.00 0.00 C ATOM 0 H VAL A 227 17.956 -3.595 13.653 1.00 0.00 H new ATOM 0 HA VAL A 227 16.145 -3.659 15.567 1.00 0.00 H new ATOM 0 HB VAL A 227 16.014 -2.117 13.681 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.099 -2.816 11.505 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.613 -3.668 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.052 -4.502 12.071 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.581 -2.092 13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.471 -3.748 13.956 1.00 0.00 H new ATOM 0 HG23 VAL A 227 13.990 -2.417 15.016 1.00 0.00 H new ATOM 659 N GLY A 228 15.593 -6.243 13.609 1.00 0.00 N ATOM 660 CA GLY A 228 14.871 -7.498 13.517 1.00 0.00 C ATOM 661 C GLY A 228 13.740 -7.444 12.509 1.00 0.00 C ATOM 662 O GLY A 228 13.850 -7.987 11.410 1.00 0.00 O ATOM 0 H GLY A 228 16.315 -6.111 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.564 -8.292 13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.468 -7.755 14.497 1.00 0.00 H new ATOM 666 N THR A 229 12.646 -6.787 12.884 1.00 0.00 N ATOM 667 CA THR A 229 11.489 -6.666 12.007 1.00 0.00 C ATOM 668 C THR A 229 10.931 -5.247 12.026 1.00 0.00 C ATOM 669 O THR A 229 11.040 -4.540 13.027 1.00 0.00 O ATOM 670 CB THR A 229 10.374 -7.649 12.409 1.00 0.00 C ATOM 671 OG1 THR A 229 9.933 -7.371 13.742 1.00 0.00 O ATOM 672 CG2 THR A 229 10.863 -9.087 12.321 1.00 0.00 C ATOM 0 H THR A 229 12.538 -6.331 13.790 1.00 0.00 H new ATOM 0 HA THR A 229 11.829 -6.907 11.000 1.00 0.00 H new ATOM 0 HB THR A 229 9.541 -7.522 11.717 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.223 -7.999 13.989 1.00 0.00 H new ATOM 0 HG21 THR A 229 10.058 -9.763 12.610 1.00 0.00 H new ATOM 0 HG22 THR A 229 11.171 -9.305 11.298 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.711 -9.225 12.992 1.00 0.00 H new ATOM 680 N VAL A 230 10.331 -4.838 10.912 1.00 0.00 N ATOM 681 CA VAL A 230 9.754 -3.503 10.802 1.00 0.00 C ATOM 682 C VAL A 230 8.691 -3.454 9.710 1.00 0.00 C ATOM 683 O VAL A 230 8.899 -3.951 8.604 1.00 0.00 O ATOM 684 CB VAL A 230 10.834 -2.447 10.500 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.385 -2.633 9.095 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.272 -1.045 10.680 1.00 0.00 C ATOM 0 H VAL A 230 10.232 -5.411 10.074 1.00 0.00 H new ATOM 0 HA VAL A 230 9.295 -3.276 11.764 1.00 0.00 H new ATOM 0 HB VAL A 230 11.654 -2.579 11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.147 -1.878 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.827 -3.625 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.577 -2.529 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.048 -0.311 10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.434 -0.899 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.931 -0.919 11.708 1.00 0.00 H new ATOM 696 N ALA A 231 7.551 -2.849 10.029 1.00 0.00 N ATOM 697 CA ALA A 231 6.456 -2.731 9.074 1.00 0.00 C ATOM 698 C ALA A 231 6.978 -2.439 7.672 1.00 0.00 C ATOM 699 O ALA A 231 7.943 -1.693 7.502 1.00 0.00 O ATOM 700 CB ALA A 231 5.485 -1.646 9.515 1.00 0.00 C ATOM 0 H ALA A 231 7.362 -2.433 10.941 1.00 0.00 H new ATOM 0 HA ALA A 231 5.929 -3.685 9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.673 -1.569 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.077 -1.899 10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.008 -0.692 9.575 1.00 0.00 H new ATOM 706 N ARG A 232 6.336 -3.031 6.670 1.00 0.00 N ATOM 707 CA ARG A 232 6.738 -2.835 5.283 1.00 0.00 C ATOM 708 C ARG A 232 6.774 -1.350 4.932 1.00 0.00 C ATOM 709 O ARG A 232 7.708 -0.878 4.286 1.00 0.00 O ATOM 710 CB ARG A 232 5.780 -3.569 4.343 1.00 0.00 C ATOM 711 CG ARG A 232 6.093 -3.362 2.870 1.00 0.00 C ATOM 712 CD ARG A 232 4.846 -3.496 2.011 1.00 0.00 C ATOM 713 NE ARG A 232 5.019 -2.886 0.696 1.00 0.00 N ATOM 714 CZ ARG A 232 4.837 -1.592 0.456 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.480 -0.776 1.438 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.014 -1.112 -0.768 1.00 0.00 N ATOM 0 H ARG A 232 5.535 -3.650 6.793 1.00 0.00 H new ATOM 0 HA ARG A 232 7.741 -3.244 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.812 -4.635 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.762 -3.232 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.531 -2.374 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.837 -4.091 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.600 -4.551 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.003 -3.028 2.520 1.00 0.00 H new ATOM 0 HE ARG A 232 5.295 -3.486 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 232 4.344 -1.141 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.341 0.217 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.290 -1.737 -1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.874 -0.118 -0.951 1.00 0.00 H new ATOM 730 N GLU A 233 5.749 -0.621 5.362 1.00 0.00 N ATOM 731 CA GLU A 233 5.663 0.809 5.091 1.00 0.00 C ATOM 732 C GLU A 233 6.589 1.595 6.015 1.00 0.00 C ATOM 733 O GLU A 233 6.575 2.826 6.026 1.00 0.00 O ATOM 734 CB GLU A 233 4.222 1.298 5.260 1.00 0.00 C ATOM 735 CG GLU A 233 3.712 1.204 6.689 1.00 0.00 C ATOM 736 CD GLU A 233 2.234 1.524 6.802 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.756 2.398 6.050 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.556 0.899 7.644 1.00 0.00 O ATOM 0 H GLU A 233 4.967 -0.997 5.899 1.00 0.00 H new ATOM 0 HA GLU A 233 5.978 0.976 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.157 2.334 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.570 0.713 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.893 0.199 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.278 1.890 7.319 1.00 0.00 H new ATOM 745 N ASP A 234 7.394 0.873 6.788 1.00 0.00 N ATOM 746 CA ASP A 234 8.328 1.501 7.715 1.00 0.00 C ATOM 747 C ASP A 234 9.771 1.232 7.299 1.00 0.00 C ATOM 748 O ASP A 234 10.704 1.833 7.831 1.00 0.00 O ATOM 749 CB ASP A 234 8.090 0.989 9.137 1.00 0.00 C ATOM 750 CG ASP A 234 6.920 1.678 9.812 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.361 2.622 9.214 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.563 1.273 10.938 1.00 0.00 O ATOM 0 H ASP A 234 7.418 -0.147 6.791 1.00 0.00 H new ATOM 0 HA ASP A 234 8.157 2.577 7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.908 -0.085 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.991 1.143 9.731 1.00 0.00 H new ATOM 757 N LEU A 235 9.946 0.323 6.346 1.00 0.00 N ATOM 758 CA LEU A 235 11.275 -0.028 5.858 1.00 0.00 C ATOM 759 C LEU A 235 11.917 1.150 5.131 1.00 0.00 C ATOM 760 O LEU A 235 13.090 1.466 5.325 1.00 0.00 O ATOM 761 CB LEU A 235 11.195 -1.236 4.924 1.00 0.00 C ATOM 762 CG LEU A 235 12.420 -2.151 4.903 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.571 -2.872 6.234 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.319 -3.152 3.761 1.00 0.00 C ATOM 0 H LEU A 235 9.184 -0.184 5.896 1.00 0.00 H new ATOM 0 HA LEU A 235 11.895 -0.282 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.327 -1.831 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 235 11.018 -0.875 3.911 1.00 0.00 H new ATOM 0 HG LEU A 235 13.306 -1.536 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.448 -3.518 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.690 -2.140 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.683 -3.475 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.199 -3.795 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.425 -3.762 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 235 12.261 -2.618 2.813 1.00 0.00 H new ATOM 776 N PRO A 236 11.129 1.816 4.274 1.00 0.00 N ATOM 777 CA PRO A 236 11.598 2.971 3.502 1.00 0.00 C ATOM 778 C PRO A 236 12.335 3.987 4.369 1.00 0.00 C ATOM 779 O PRO A 236 13.531 4.214 4.194 1.00 0.00 O ATOM 780 CB PRO A 236 10.305 3.577 2.950 1.00 0.00 C ATOM 781 CG PRO A 236 9.348 2.437 2.890 1.00 0.00 C ATOM 782 CD PRO A 236 9.720 1.494 3.992 1.00 0.00 C ATOM 0 HA PRO A 236 12.313 2.683 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.933 4.372 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.462 4.014 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.323 2.787 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.402 1.939 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.093 1.640 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.601 0.455 3.685 1.00 0.00 H new ATOM 790 N GLY A 237 11.612 4.595 5.304 1.00 0.00 N ATOM 791 CA GLY A 237 12.214 5.580 6.184 1.00 0.00 C ATOM 792 C GLY A 237 13.356 5.006 7.000 1.00 0.00 C ATOM 793 O GLY A 237 14.431 5.601 7.082 1.00 0.00 O ATOM 0 H GLY A 237 10.620 4.423 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.580 6.418 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.453 5.975 6.857 1.00 0.00 H new ATOM 797 N HIS A 238 13.122 3.847 7.608 1.00 0.00 N ATOM 798 CA HIS A 238 14.140 3.193 8.423 1.00 0.00 C ATOM 799 C HIS A 238 15.455 3.075 7.660 1.00 0.00 C ATOM 800 O HIS A 238 16.514 3.451 8.165 1.00 0.00 O ATOM 801 CB HIS A 238 13.662 1.807 8.857 1.00 0.00 C ATOM 802 CG HIS A 238 14.775 0.891 9.266 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.211 0.772 10.569 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.540 0.046 8.536 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.197 -0.105 10.622 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.416 -0.560 9.402 1.00 0.00 N ATOM 0 H HIS A 238 12.238 3.342 7.552 1.00 0.00 H new ATOM 0 HA HIS A 238 14.309 3.805 9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 238 12.967 1.915 9.690 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.108 1.349 8.037 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.474 -0.120 7.471 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.733 -0.400 11.512 1.00 0.00 H new ATOM 0 HE2 HIS A 238 17.122 -1.250 9.145 1.00 0.00 H new ATOM 814 N LEU A 239 15.381 2.552 6.441 1.00 0.00 N ATOM 815 CA LEU A 239 16.567 2.384 5.607 1.00 0.00 C ATOM 816 C LEU A 239 17.240 3.726 5.342 1.00 0.00 C ATOM 817 O LEU A 239 18.391 3.781 4.907 1.00 0.00 O ATOM 818 CB LEU A 239 16.192 1.717 4.283 1.00 0.00 C ATOM 819 CG LEU A 239 16.017 0.198 4.321 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.022 -0.251 3.262 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.356 -0.498 4.128 1.00 0.00 C ATOM 0 H LEU A 239 14.513 2.237 6.008 1.00 0.00 H new ATOM 0 HA LEU A 239 17.271 1.746 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.262 2.161 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.961 1.956 3.549 1.00 0.00 H new ATOM 0 HG LEU A 239 15.624 -0.079 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.910 -1.334 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.057 0.221 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.385 0.038 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 239 17.212 -1.578 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.778 -0.215 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 239 18.039 -0.201 4.924 1.00 0.00 H new ATOM 833 N LYS A 240 16.516 4.808 5.607 1.00 0.00 N ATOM 834 CA LYS A 240 17.044 6.152 5.401 1.00 0.00 C ATOM 835 C LYS A 240 18.138 6.469 6.415 1.00 0.00 C ATOM 836 O LYS A 240 19.301 6.647 6.053 1.00 0.00 O ATOM 837 CB LYS A 240 15.920 7.185 5.507 1.00 0.00 C ATOM 838 CG LYS A 240 16.146 8.420 4.652 1.00 0.00 C ATOM 839 CD LYS A 240 15.254 9.570 5.087 1.00 0.00 C ATOM 840 CE LYS A 240 13.868 9.465 4.469 1.00 0.00 C ATOM 841 NZ LYS A 240 12.989 10.593 4.883 1.00 0.00 N ATOM 0 H LYS A 240 15.561 4.781 5.965 1.00 0.00 H new ATOM 0 HA LYS A 240 17.477 6.196 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 240 14.980 6.718 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 240 15.814 7.489 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.191 8.723 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 240 15.949 8.181 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 240 15.170 9.575 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.712 10.516 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 240 13.955 9.452 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 240 13.410 8.521 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 12.054 10.485 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 12.885 10.590 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 13.413 11.493 4.580 1.00 0.00 H new ATOM 855 N ASP A 241 17.758 6.535 7.686 1.00 0.00 N ATOM 856 CA ASP A 241 18.708 6.828 8.754 1.00 0.00 C ATOM 857 C ASP A 241 18.702 5.722 9.804 1.00 0.00 C ATOM 858 O ASP A 241 19.755 5.220 10.197 1.00 0.00 O ATOM 859 CB ASP A 241 18.376 8.171 9.407 1.00 0.00 C ATOM 860 CG ASP A 241 18.642 9.344 8.485 1.00 0.00 C ATOM 861 OD1 ASP A 241 19.801 9.504 8.047 1.00 0.00 O ATOM 862 OD2 ASP A 241 17.692 10.103 8.201 1.00 0.00 O ATOM 0 H ASP A 241 16.799 6.390 8.002 1.00 0.00 H new ATOM 0 HA ASP A 241 19.705 6.883 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 241 17.328 8.177 9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.967 8.286 10.316 1.00 0.00 H new ATOM 867 N SER A 242 17.510 5.349 10.257 1.00 0.00 N ATOM 868 CA SER A 242 17.367 4.306 11.266 1.00 0.00 C ATOM 869 C SER A 242 18.428 3.224 11.083 1.00 0.00 C ATOM 870 O SER A 242 19.344 3.092 11.895 1.00 0.00 O ATOM 871 CB SER A 242 15.971 3.684 11.194 1.00 0.00 C ATOM 872 OG SER A 242 15.668 2.973 12.381 1.00 0.00 O ATOM 0 H SER A 242 16.629 5.754 9.941 1.00 0.00 H new ATOM 0 HA SER A 242 17.503 4.763 12.246 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.229 4.466 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 242 15.913 3.011 10.338 1.00 0.00 H new ATOM 0 HG SER A 242 15.428 2.050 12.157 1.00 0.00 H new ATOM 878 N CYS A 243 18.297 2.452 10.009 1.00 0.00 N ATOM 879 CA CYS A 243 19.242 1.381 9.717 1.00 0.00 C ATOM 880 C CYS A 243 20.680 1.883 9.815 1.00 0.00 C ATOM 881 O CYS A 243 20.969 3.035 9.496 1.00 0.00 O ATOM 882 CB CYS A 243 18.983 0.810 8.322 1.00 0.00 C ATOM 883 SG CYS A 243 19.644 -0.869 8.071 1.00 0.00 S ATOM 0 H CYS A 243 17.545 2.548 9.326 1.00 0.00 H new ATOM 0 HA CYS A 243 19.100 0.593 10.456 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.908 0.797 8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.423 1.477 7.581 1.00 0.00 H new ATOM 0 HG CYS A 243 18.660 -1.708 7.939 1.00 0.00 H new