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 100:sc= -0.273 USER MOD Set 1.2: A 225 CYS SG : rot -83:sc= -1.01 USER MOD Set 1.3: A 238 HIS : no HD1:sc= -3.58 K(o=-4.3,f=-7!) USER MOD Set 1.4: A 242 SER OG : rot -127:sc= 0.439 USER MOD Set 1.5: A 243 CYS SG : rot 117:sc= 0.172 USER MOD Set 2.1: A 195 CYS SG : rot 110:sc= 0.25 USER MOD Set 2.2: A 198 CYS SG : rot -59:sc= -1.19 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -0.289 K(o=-1,f=-2.7) USER MOD Set 2.4: A 214 CYS SG : rot 73:sc= 0.232 USER MOD Single : A 192 THR OG1 : rot -24:sc= 0.275 USER MOD Single : A 193 GLN : amide:sc=-0.00644 X(o=-0.0064,f=-0.0064) 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 31:sc= 0.503 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -34:sc= 1.14 USER MOD Single : A 208 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.59) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 223 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 224 GLN : amide:sc= -0.41 K(o=-0.41,f=-2.2!) 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 -17.033 -9.594 5.185 1.00 0.00 N ATOM 113 CA THR A 192 -15.886 -8.707 5.332 1.00 0.00 C ATOM 114 C THR A 192 -15.095 -9.036 6.593 1.00 0.00 C ATOM 115 O THR A 192 -15.672 -9.261 7.657 1.00 0.00 O ATOM 116 CB THR A 192 -16.321 -7.230 5.382 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.437 -7.078 6.265 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.692 -6.728 3.995 1.00 0.00 C ATOM 0 HA THR A 192 -15.252 -8.862 4.459 1.00 0.00 H new ATOM 0 HB THR A 192 -15.483 -6.639 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.915 -7.930 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.996 -5.683 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.831 -6.818 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.516 -7.323 3.601 1.00 0.00 H new ATOM 126 N GLN A 193 -13.772 -9.060 6.467 1.00 0.00 N ATOM 127 CA GLN A 193 -12.903 -9.360 7.598 1.00 0.00 C ATOM 128 C GLN A 193 -12.064 -8.145 7.978 1.00 0.00 C ATOM 129 O GLN A 193 -11.116 -7.773 7.286 1.00 0.00 O ATOM 130 CB GLN A 193 -11.989 -10.542 7.266 1.00 0.00 C ATOM 131 CG GLN A 193 -12.742 -11.828 6.970 1.00 0.00 C ATOM 132 CD GLN A 193 -13.350 -12.448 8.212 1.00 0.00 C ATOM 133 OE1 GLN A 193 -12.648 -13.043 9.030 1.00 0.00 O ATOM 134 NE2 GLN A 193 -14.662 -12.312 8.361 1.00 0.00 N ATOM 0 H GLN A 193 -13.279 -8.875 5.593 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.533 -9.623 8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.374 -10.284 6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.311 -10.712 8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.532 -11.624 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.063 -12.544 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -15.206 -11.811 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -15.126 -12.708 9.178 1.00 0.00 H new ATOM 143 N PRO A 194 -12.419 -7.509 9.104 1.00 0.00 N ATOM 144 CA PRO A 194 -11.712 -6.325 9.602 1.00 0.00 C ATOM 145 C PRO A 194 -10.315 -6.658 10.115 1.00 0.00 C ATOM 146 O PRO A 194 -10.154 -7.166 11.225 1.00 0.00 O ATOM 147 CB PRO A 194 -12.600 -5.837 10.749 1.00 0.00 C ATOM 148 CG PRO A 194 -13.331 -7.053 11.206 1.00 0.00 C ATOM 149 CD PRO A 194 -13.539 -7.896 9.979 1.00 0.00 C ATOM 0 HA PRO A 194 -11.558 -5.583 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -12.005 -5.407 11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.290 -5.063 10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.757 -7.594 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.284 -6.787 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.516 -8.960 10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.503 -7.694 9.511 1.00 0.00 H new ATOM 157 N CYS A 195 -9.306 -6.368 9.300 1.00 0.00 N ATOM 158 CA CYS A 195 -7.922 -6.636 9.670 1.00 0.00 C ATOM 159 C CYS A 195 -7.578 -5.976 11.002 1.00 0.00 C ATOM 160 O CYS A 195 -8.022 -4.864 11.291 1.00 0.00 O ATOM 161 CB CYS A 195 -6.974 -6.134 8.580 1.00 0.00 C ATOM 162 SG CYS A 195 -5.245 -6.666 8.795 1.00 0.00 S ATOM 0 H CYS A 195 -9.422 -5.947 8.378 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.803 -7.714 9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.333 -6.484 7.612 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.008 -5.045 8.558 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.941 -7.534 7.877 1.00 0.00 H new ATOM 167 N THR A 196 -6.782 -6.668 11.812 1.00 0.00 N ATOM 168 CA THR A 196 -6.378 -6.151 13.113 1.00 0.00 C ATOM 169 C THR A 196 -5.094 -5.336 13.007 1.00 0.00 C ATOM 170 O THR A 196 -4.726 -4.616 13.935 1.00 0.00 O ATOM 171 CB THR A 196 -6.168 -7.289 14.130 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.355 -8.084 14.227 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.811 -6.732 15.499 1.00 0.00 C ATOM 0 H THR A 196 -6.404 -7.589 11.589 1.00 0.00 H new ATOM 0 HA THR A 196 -7.186 -5.507 13.461 1.00 0.00 H new ATOM 0 HB THR A 196 -5.343 -7.910 13.782 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.213 -8.806 14.874 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.668 -7.554 16.200 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.891 -6.152 15.427 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.618 -6.090 15.852 1.00 0.00 H new ATOM 181 N TYR A 197 -4.417 -5.454 11.870 1.00 0.00 N ATOM 182 CA TYR A 197 -3.173 -4.729 11.643 1.00 0.00 C ATOM 183 C TYR A 197 -3.449 -3.325 11.115 1.00 0.00 C ATOM 184 O TYR A 197 -3.167 -2.330 11.785 1.00 0.00 O ATOM 185 CB TYR A 197 -2.286 -5.492 10.657 1.00 0.00 C ATOM 186 CG TYR A 197 -1.468 -6.588 11.301 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.082 -7.616 12.007 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.083 -6.596 11.204 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.339 -8.620 12.597 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.669 -7.597 11.790 1.00 0.00 C ATOM 191 CZ TYR A 197 0.036 -8.606 12.485 1.00 0.00 C ATOM 192 OH TYR A 197 0.781 -9.604 13.072 1.00 0.00 O ATOM 0 H TYR A 197 -4.709 -6.045 11.092 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.653 -4.643 12.597 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.913 -5.928 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.613 -4.788 10.167 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.158 -7.630 12.096 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.415 -5.806 10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.832 -9.411 13.143 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.746 -7.589 11.704 1.00 0.00 H new ATOM 0 HH TYR A 197 1.733 -9.447 12.898 1.00 0.00 H new ATOM 202 N CYS A 198 -4.003 -3.251 9.910 1.00 0.00 N ATOM 203 CA CYS A 198 -4.318 -1.970 9.290 1.00 0.00 C ATOM 204 C CYS A 198 -5.652 -1.432 9.801 1.00 0.00 C ATOM 205 O CYS A 198 -6.074 -0.335 9.434 1.00 0.00 O ATOM 206 CB CYS A 198 -4.364 -2.114 7.767 1.00 0.00 C ATOM 207 SG CYS A 198 -5.541 -3.371 7.174 1.00 0.00 S ATOM 0 H CYS A 198 -4.243 -4.064 9.343 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.533 -1.262 9.558 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.627 -1.151 7.330 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.367 -2.367 7.406 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.223 -4.530 7.669 1.00 0.00 H new ATOM 212 N THR A 199 -6.312 -2.212 10.651 1.00 0.00 N ATOM 213 CA THR A 199 -7.597 -1.816 11.212 1.00 0.00 C ATOM 214 C THR A 199 -8.548 -1.336 10.122 1.00 0.00 C ATOM 215 O THR A 199 -9.315 -0.394 10.323 1.00 0.00 O ATOM 216 CB THR A 199 -7.432 -0.700 12.261 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.634 0.362 11.726 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.784 -1.239 13.528 1.00 0.00 C ATOM 0 H THR A 199 -5.977 -3.122 10.966 1.00 0.00 H new ATOM 0 HA THR A 199 -8.017 -2.699 11.694 1.00 0.00 H new ATOM 0 HB THR A 199 -8.422 -0.319 12.512 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.778 0.424 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.678 -0.433 14.254 1.00 0.00 H new ATOM 0 HG22 THR A 199 -7.409 -2.027 13.949 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.801 -1.644 13.290 1.00 0.00 H new ATOM 226 N LYS A 200 -8.495 -1.991 8.967 1.00 0.00 N ATOM 227 CA LYS A 200 -9.354 -1.633 7.844 1.00 0.00 C ATOM 228 C LYS A 200 -10.484 -2.644 7.680 1.00 0.00 C ATOM 229 O LYS A 200 -10.639 -3.553 8.495 1.00 0.00 O ATOM 230 CB LYS A 200 -8.535 -1.554 6.554 1.00 0.00 C ATOM 231 CG LYS A 200 -7.551 -0.397 6.528 1.00 0.00 C ATOM 232 CD LYS A 200 -8.188 0.864 5.971 1.00 0.00 C ATOM 233 CE LYS A 200 -7.489 2.115 6.482 1.00 0.00 C ATOM 234 NZ LYS A 200 -6.194 2.350 5.785 1.00 0.00 N ATOM 0 H LYS A 200 -7.866 -2.773 8.784 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.791 -0.656 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.988 -2.488 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.215 -1.461 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -7.186 -0.206 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.686 -0.667 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -8.148 0.843 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -9.241 0.895 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -8.140 2.978 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -7.313 2.021 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -5.749 3.211 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.563 1.538 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.364 2.465 4.766 1.00 0.00 H new ATOM 248 N GLU A 201 -11.271 -2.479 6.621 1.00 0.00 N ATOM 249 CA GLU A 201 -12.386 -3.378 6.351 1.00 0.00 C ATOM 250 C GLU A 201 -12.352 -3.870 4.907 1.00 0.00 C ATOM 251 O GLU A 201 -12.724 -3.145 3.984 1.00 0.00 O ATOM 252 CB GLU A 201 -13.716 -2.675 6.631 1.00 0.00 C ATOM 253 CG GLU A 201 -13.794 -2.045 8.011 1.00 0.00 C ATOM 254 CD GLU A 201 -14.375 -2.985 9.050 1.00 0.00 C ATOM 255 OE1 GLU A 201 -14.575 -4.175 8.728 1.00 0.00 O ATOM 256 OE2 GLU A 201 -14.629 -2.530 10.184 1.00 0.00 O ATOM 0 H GLU A 201 -11.157 -1.731 5.937 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.292 -4.240 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.874 -1.902 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.527 -3.395 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -12.796 -1.737 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.404 -1.143 7.961 1.00 0.00 H new ATOM 263 N PHE A 202 -11.902 -5.106 4.720 1.00 0.00 N ATOM 264 CA PHE A 202 -11.817 -5.695 3.389 1.00 0.00 C ATOM 265 C PHE A 202 -12.679 -6.951 3.293 1.00 0.00 C ATOM 266 O PHE A 202 -13.238 -7.411 4.289 1.00 0.00 O ATOM 267 CB PHE A 202 -10.364 -6.034 3.050 1.00 0.00 C ATOM 268 CG PHE A 202 -9.471 -4.829 2.966 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.607 -3.920 1.929 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.496 -4.605 3.925 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.786 -2.811 1.849 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.673 -3.497 3.851 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.819 -2.599 2.812 1.00 0.00 C ATOM 0 H PHE A 202 -11.591 -5.719 5.473 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.190 -4.964 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.972 -6.715 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.336 -6.564 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.363 -4.080 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.378 -5.304 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.901 -2.111 1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.917 -3.334 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.178 -1.732 2.753 1.00 0.00 H new ATOM 283 N VAL A 203 -12.783 -7.500 2.087 1.00 0.00 N ATOM 284 CA VAL A 203 -13.576 -8.702 1.860 1.00 0.00 C ATOM 285 C VAL A 203 -12.883 -9.934 2.431 1.00 0.00 C ATOM 286 O VAL A 203 -11.657 -10.043 2.393 1.00 0.00 O ATOM 287 CB VAL A 203 -13.841 -8.925 0.359 1.00 0.00 C ATOM 288 CG1 VAL A 203 -14.942 -9.955 0.158 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.198 -7.611 -0.319 1.00 0.00 C ATOM 0 H VAL A 203 -12.328 -7.131 1.252 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.527 -8.554 2.371 1.00 0.00 H new ATOM 0 HB VAL A 203 -12.930 -9.309 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.115 -10.099 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.642 -10.901 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.859 -9.604 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.382 -7.787 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.095 -7.196 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.373 -6.907 -0.206 1.00 0.00 H new ATOM 299 N PHE A 204 -13.675 -10.860 2.960 1.00 0.00 N ATOM 300 CA PHE A 204 -13.138 -12.086 3.540 1.00 0.00 C ATOM 301 C PHE A 204 -12.343 -12.875 2.504 1.00 0.00 C ATOM 302 O PHE A 204 -11.347 -13.521 2.830 1.00 0.00 O ATOM 303 CB PHE A 204 -14.270 -12.950 4.097 1.00 0.00 C ATOM 304 CG PHE A 204 -14.833 -13.919 3.097 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.870 -13.544 2.257 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.327 -15.204 2.996 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.390 -14.432 1.335 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.842 -16.097 2.075 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.876 -15.711 1.245 1.00 0.00 C ATOM 0 H PHE A 204 -14.691 -10.785 2.999 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.467 -11.810 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.902 -13.504 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.070 -12.301 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.276 -12.546 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.520 -15.512 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.197 -14.127 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.436 -17.095 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.282 -16.408 0.527 1.00 0.00 H new ATOM 319 N ASP A 205 -12.791 -12.817 1.254 1.00 0.00 N ATOM 320 CA ASP A 205 -12.122 -13.526 0.169 1.00 0.00 C ATOM 321 C ASP A 205 -10.762 -12.903 -0.129 1.00 0.00 C ATOM 322 O ASP A 205 -9.807 -13.603 -0.468 1.00 0.00 O ATOM 323 CB ASP A 205 -12.991 -13.511 -1.090 1.00 0.00 C ATOM 324 CG ASP A 205 -12.471 -14.446 -2.163 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.242 -14.468 -2.386 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.292 -15.156 -2.782 1.00 0.00 O ATOM 0 H ASP A 205 -13.614 -12.287 0.967 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.968 -14.559 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.010 -13.795 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.034 -12.496 -1.486 1.00 0.00 H new ATOM 331 N THR A 206 -10.681 -11.582 -0.002 1.00 0.00 N ATOM 332 CA THR A 206 -9.439 -10.865 -0.260 1.00 0.00 C ATOM 333 C THR A 206 -8.516 -10.908 0.953 1.00 0.00 C ATOM 334 O THR A 206 -7.293 -10.919 0.814 1.00 0.00 O ATOM 335 CB THR A 206 -9.706 -9.395 -0.635 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.157 -8.670 0.515 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.747 -9.299 -1.741 1.00 0.00 C ATOM 0 H THR A 206 -11.461 -10.987 0.278 1.00 0.00 H new ATOM 0 HA THR A 206 -8.955 -11.365 -1.099 1.00 0.00 H new ATOM 0 HB THR A 206 -8.774 -8.960 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.701 -9.258 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.919 -8.252 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.389 -9.827 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.680 -9.750 -1.403 1.00 0.00 H new ATOM 345 N ILE A 207 -9.110 -10.934 2.141 1.00 0.00 N ATOM 346 CA ILE A 207 -8.341 -10.979 3.378 1.00 0.00 C ATOM 347 C ILE A 207 -7.270 -12.063 3.321 1.00 0.00 C ATOM 348 O ILE A 207 -6.312 -12.043 4.093 1.00 0.00 O ATOM 349 CB ILE A 207 -9.248 -11.233 4.596 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.556 -10.772 5.881 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.615 -12.707 4.685 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.465 -9.268 6.012 1.00 0.00 C ATOM 0 H ILE A 207 -10.121 -10.925 2.273 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.863 -10.005 3.488 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.165 -10.657 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.097 -11.171 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.551 -11.193 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.256 -12.871 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.144 -13.005 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.708 -13.302 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.963 -9.014 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -7.898 -8.863 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.468 -8.841 6.011 1.00 0.00 H new ATOM 364 N GLN A 208 -7.439 -13.006 2.399 1.00 0.00 N ATOM 365 CA GLN A 208 -6.485 -14.097 2.241 1.00 0.00 C ATOM 366 C GLN A 208 -5.163 -13.588 1.678 1.00 0.00 C ATOM 367 O GLN A 208 -4.092 -13.912 2.192 1.00 0.00 O ATOM 368 CB GLN A 208 -7.062 -15.177 1.323 1.00 0.00 C ATOM 369 CG GLN A 208 -8.053 -16.098 2.015 1.00 0.00 C ATOM 370 CD GLN A 208 -8.260 -17.401 1.266 1.00 0.00 C ATOM 371 OE1 GLN A 208 -7.849 -17.540 0.114 1.00 0.00 O ATOM 372 NE2 GLN A 208 -8.899 -18.364 1.919 1.00 0.00 N ATOM 0 H GLN A 208 -8.226 -13.036 1.751 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.297 -14.527 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.554 -14.698 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.244 -15.774 0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -7.699 -16.315 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -9.010 -15.586 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.222 -18.205 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -9.067 -19.263 1.467 1.00 0.00 H new ATOM 381 N SER A 209 -5.245 -12.789 0.619 1.00 0.00 N ATOM 382 CA SER A 209 -4.053 -12.237 -0.016 1.00 0.00 C ATOM 383 C SER A 209 -3.651 -10.918 0.636 1.00 0.00 C ATOM 384 O SER A 209 -2.466 -10.634 0.810 1.00 0.00 O ATOM 385 CB SER A 209 -4.299 -12.026 -1.512 1.00 0.00 C ATOM 386 OG SER A 209 -3.093 -12.141 -2.247 1.00 0.00 O ATOM 0 H SER A 209 -6.123 -12.509 0.183 1.00 0.00 H new ATOM 0 HA SER A 209 -3.238 -12.949 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.020 -12.760 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.737 -11.041 -1.677 1.00 0.00 H new ATOM 0 HG SER A 209 -3.276 -12.004 -3.200 1.00 0.00 H new ATOM 392 N HIS A 210 -4.648 -10.115 0.995 1.00 0.00 N ATOM 393 CA HIS A 210 -4.399 -8.825 1.629 1.00 0.00 C ATOM 394 C HIS A 210 -3.326 -8.947 2.707 1.00 0.00 C ATOM 395 O HIS A 210 -2.358 -8.187 2.719 1.00 0.00 O ATOM 396 CB HIS A 210 -5.689 -8.275 2.238 1.00 0.00 C ATOM 397 CG HIS A 210 -5.459 -7.317 3.366 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.234 -5.970 3.175 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.420 -7.517 4.704 1.00 0.00 C ATOM 400 CE1 HIS A 210 -5.066 -5.383 4.346 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.174 -6.300 5.291 1.00 0.00 N ATOM 0 H HIS A 210 -5.635 -10.335 0.858 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.044 -8.135 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.264 -7.775 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.295 -9.107 2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.557 -8.459 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.873 -4.332 4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -5.089 -6.132 6.293 1.00 0.00 H new ATOM 409 N GLN A 211 -3.506 -9.906 3.608 1.00 0.00 N ATOM 410 CA GLN A 211 -2.553 -10.126 4.690 1.00 0.00 C ATOM 411 C GLN A 211 -1.129 -9.832 4.229 1.00 0.00 C ATOM 412 O GLN A 211 -0.317 -9.303 4.989 1.00 0.00 O ATOM 413 CB GLN A 211 -2.650 -11.565 5.199 1.00 0.00 C ATOM 414 CG GLN A 211 -3.792 -11.788 6.178 1.00 0.00 C ATOM 415 CD GLN A 211 -4.171 -13.250 6.308 1.00 0.00 C ATOM 416 OE1 GLN A 211 -4.210 -13.984 5.320 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.452 -13.682 7.532 1.00 0.00 N ATOM 0 H GLN A 211 -4.302 -10.543 3.611 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.801 -9.443 5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.776 -12.235 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.711 -11.835 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.507 -11.402 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.662 -11.219 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.407 -13.039 8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.713 -14.657 7.681 1.00 0.00 H new ATOM 426 N TYR A 212 -0.833 -10.178 2.982 1.00 0.00 N ATOM 427 CA TYR A 212 0.494 -9.954 2.421 1.00 0.00 C ATOM 428 C TYR A 212 0.703 -8.479 2.089 1.00 0.00 C ATOM 429 O TYR A 212 1.739 -7.900 2.414 1.00 0.00 O ATOM 430 CB TYR A 212 0.690 -10.803 1.164 1.00 0.00 C ATOM 431 CG TYR A 212 0.296 -12.252 1.345 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.936 -13.054 2.283 1.00 0.00 C ATOM 433 CD2 TYR A 212 -0.714 -12.820 0.579 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.580 -14.378 2.452 1.00 0.00 C ATOM 435 CE2 TYR A 212 -1.077 -14.143 0.742 1.00 0.00 C ATOM 436 CZ TYR A 212 -0.427 -14.918 1.679 1.00 0.00 C ATOM 437 OH TYR A 212 -0.784 -16.236 1.844 1.00 0.00 O ATOM 0 H TYR A 212 -1.494 -10.615 2.340 1.00 0.00 H new ATOM 0 HA TYR A 212 1.231 -10.248 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 212 0.104 -10.374 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.736 -10.755 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 212 1.725 -12.635 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -1.225 -12.217 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 212 1.087 -14.987 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 212 -1.866 -14.568 0.139 1.00 0.00 H new ATOM 0 HH TYR A 212 -1.509 -16.459 1.224 1.00 0.00 H new ATOM 447 N GLN A 213 -0.289 -7.879 1.440 1.00 0.00 N ATOM 448 CA GLN A 213 -0.215 -6.472 1.063 1.00 0.00 C ATOM 449 C GLN A 213 -0.126 -5.582 2.299 1.00 0.00 C ATOM 450 O GLN A 213 0.647 -4.624 2.332 1.00 0.00 O ATOM 451 CB GLN A 213 -1.433 -6.082 0.225 1.00 0.00 C ATOM 452 CG GLN A 213 -1.554 -6.862 -1.074 1.00 0.00 C ATOM 453 CD GLN A 213 -2.980 -6.931 -1.583 1.00 0.00 C ATOM 454 OE1 GLN A 213 -3.613 -5.905 -1.832 1.00 0.00 O ATOM 455 NE2 GLN A 213 -3.494 -8.145 -1.741 1.00 0.00 N ATOM 0 H GLN A 213 -1.154 -8.345 1.164 1.00 0.00 H new ATOM 0 HA GLN A 213 0.687 -6.328 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.335 -6.236 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.380 -5.018 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.924 -6.397 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.177 -7.873 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -2.933 -8.969 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -4.449 -8.254 -2.081 1.00 0.00 H new ATOM 464 N CYS A 214 -0.922 -5.905 3.312 1.00 0.00 N ATOM 465 CA CYS A 214 -0.935 -5.135 4.550 1.00 0.00 C ATOM 466 C CYS A 214 0.457 -4.597 4.871 1.00 0.00 C ATOM 467 O CYS A 214 1.408 -5.351 5.077 1.00 0.00 O ATOM 468 CB CYS A 214 -1.439 -5.999 5.708 1.00 0.00 C ATOM 469 SG CYS A 214 -2.206 -5.053 7.062 1.00 0.00 S ATOM 0 H CYS A 214 -1.567 -6.695 3.300 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.610 -4.290 4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.165 -6.716 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.604 -6.574 6.108 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.369 -4.615 6.681 1.00 0.00 H new ATOM 474 N PRO A 215 0.580 -3.262 4.914 1.00 0.00 N ATOM 475 CA PRO A 215 1.850 -2.593 5.210 1.00 0.00 C ATOM 476 C PRO A 215 2.279 -2.778 6.662 1.00 0.00 C ATOM 477 O PRO A 215 3.419 -3.149 6.940 1.00 0.00 O ATOM 478 CB PRO A 215 1.550 -1.120 4.924 1.00 0.00 C ATOM 479 CG PRO A 215 0.078 -0.989 5.112 1.00 0.00 C ATOM 480 CD PRO A 215 -0.512 -2.303 4.679 1.00 0.00 C ATOM 0 HA PRO A 215 2.671 -2.997 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.096 -0.466 5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.846 -0.845 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.165 -0.776 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.320 -0.167 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.400 -2.555 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.811 -2.283 3.631 1.00 0.00 H new ATOM 488 N ARG A 216 1.357 -2.518 7.583 1.00 0.00 N ATOM 489 CA ARG A 216 1.640 -2.656 9.007 1.00 0.00 C ATOM 490 C ARG A 216 2.478 -3.902 9.277 1.00 0.00 C ATOM 491 O ARG A 216 3.364 -3.895 10.132 1.00 0.00 O ATOM 492 CB ARG A 216 0.336 -2.722 9.804 1.00 0.00 C ATOM 493 CG ARG A 216 -0.379 -1.385 9.914 1.00 0.00 C ATOM 494 CD ARG A 216 0.256 -0.500 10.976 1.00 0.00 C ATOM 495 NE ARG A 216 -0.583 0.650 11.302 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.402 1.410 12.377 1.00 0.00 C ATOM 497 NH1 ARG A 216 0.583 1.144 13.223 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.208 2.440 12.605 1.00 0.00 N ATOM 0 H ARG A 216 0.408 -2.211 7.369 1.00 0.00 H new ATOM 0 HA ARG A 216 2.208 -1.782 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.332 -3.444 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.551 -3.093 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.352 -0.876 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.428 -1.551 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.434 -1.086 11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.228 -0.152 10.625 1.00 0.00 H new ATOM 0 HE ARG A 216 -1.349 0.882 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 216 1.205 0.354 13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 216 0.719 1.729 14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.966 2.648 11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.069 3.023 13.430 1.00 0.00 H new ATOM 512 N LEU A 217 2.191 -4.971 8.542 1.00 0.00 N ATOM 513 CA LEU A 217 2.918 -6.226 8.702 1.00 0.00 C ATOM 514 C LEU A 217 4.419 -5.978 8.799 1.00 0.00 C ATOM 515 O LEU A 217 5.028 -5.353 7.930 1.00 0.00 O ATOM 516 CB LEU A 217 2.619 -7.164 7.531 1.00 0.00 C ATOM 517 CG LEU A 217 3.163 -8.588 7.655 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.187 -9.467 8.423 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.443 -9.174 6.279 1.00 0.00 C ATOM 0 H LEU A 217 1.461 -4.994 7.830 1.00 0.00 H new ATOM 0 HA LEU A 217 2.586 -6.694 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.538 -7.219 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 217 3.025 -6.719 6.623 1.00 0.00 H new ATOM 0 HG LEU A 217 4.101 -8.551 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.591 -10.476 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 217 2.037 -9.058 9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.233 -9.498 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.829 -10.187 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.521 -9.197 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.180 -8.558 5.764 1.00 0.00 H new ATOM 531 N PRO A 218 5.034 -6.480 9.881 1.00 0.00 N ATOM 532 CA PRO A 218 6.473 -6.327 10.116 1.00 0.00 C ATOM 533 C PRO A 218 7.310 -7.147 9.140 1.00 0.00 C ATOM 534 O PRO A 218 6.921 -8.245 8.743 1.00 0.00 O ATOM 535 CB PRO A 218 6.656 -6.847 11.544 1.00 0.00 C ATOM 536 CG PRO A 218 5.521 -7.789 11.753 1.00 0.00 C ATOM 537 CD PRO A 218 4.371 -7.235 10.957 1.00 0.00 C ATOM 0 HA PRO A 218 6.801 -5.297 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.615 -7.351 11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.633 -6.032 12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.780 -8.793 11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.265 -7.863 12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.738 -8.028 10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.734 -6.593 11.565 1.00 0.00 H new ATOM 545 N VAL A 219 8.461 -6.605 8.755 1.00 0.00 N ATOM 546 CA VAL A 219 9.354 -7.287 7.826 1.00 0.00 C ATOM 547 C VAL A 219 10.812 -7.114 8.238 1.00 0.00 C ATOM 548 O VAL A 219 11.285 -5.994 8.429 1.00 0.00 O ATOM 549 CB VAL A 219 9.173 -6.765 6.388 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.739 -6.968 5.923 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.568 -5.299 6.301 1.00 0.00 C ATOM 0 H VAL A 219 8.797 -5.696 9.072 1.00 0.00 H new ATOM 0 HA VAL A 219 9.094 -8.345 7.856 1.00 0.00 H new ATOM 0 HB VAL A 219 9.827 -7.334 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.630 -6.593 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.496 -8.030 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 219 7.062 -6.426 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.434 -4.946 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.941 -4.713 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.613 -5.186 6.590 1.00 0.00 H new ATOM 561 N ALA A 220 11.519 -8.231 8.373 1.00 0.00 N ATOM 562 CA ALA A 220 12.924 -8.204 8.760 1.00 0.00 C ATOM 563 C ALA A 220 13.739 -7.338 7.805 1.00 0.00 C ATOM 564 O ALA A 220 13.501 -7.334 6.597 1.00 0.00 O ATOM 565 CB ALA A 220 13.487 -9.617 8.806 1.00 0.00 C ATOM 0 H ALA A 220 11.142 -9.166 8.220 1.00 0.00 H new ATOM 0 HA ALA A 220 12.993 -7.766 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.537 -9.581 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.929 -10.207 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.398 -10.076 7.821 1.00 0.00 H new ATOM 571 N CYS A 221 14.702 -6.605 8.354 1.00 0.00 N ATOM 572 CA CYS A 221 15.553 -5.734 7.552 1.00 0.00 C ATOM 573 C CYS A 221 16.446 -6.551 6.623 1.00 0.00 C ATOM 574 O CYS A 221 17.050 -7.548 7.020 1.00 0.00 O ATOM 575 CB CYS A 221 16.413 -4.851 8.458 1.00 0.00 C ATOM 576 SG CYS A 221 17.412 -3.618 7.564 1.00 0.00 S ATOM 0 H CYS A 221 14.913 -6.597 9.352 1.00 0.00 H new ATOM 0 HA CYS A 221 14.909 -5.100 6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.764 -4.334 9.165 1.00 0.00 H new ATOM 0 HB3 CYS A 221 17.078 -5.487 9.042 1.00 0.00 H new ATOM 0 HG CYS A 221 16.823 -2.460 7.619 1.00 0.00 H new ATOM 581 N PRO A 222 16.532 -6.121 5.356 1.00 0.00 N ATOM 582 CA PRO A 222 17.349 -6.797 4.344 1.00 0.00 C ATOM 583 C PRO A 222 18.843 -6.636 4.604 1.00 0.00 C ATOM 584 O PRO A 222 19.662 -7.368 4.048 1.00 0.00 O ATOM 585 CB PRO A 222 16.955 -6.095 3.042 1.00 0.00 C ATOM 586 CG PRO A 222 16.481 -4.748 3.467 1.00 0.00 C ATOM 587 CD PRO A 222 15.839 -4.940 4.813 1.00 0.00 C ATOM 0 HA PRO A 222 17.176 -7.873 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.802 -6.020 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 222 16.172 -6.643 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.311 -4.044 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.769 -4.341 2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.974 -4.066 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.766 -5.109 4.726 1.00 0.00 H new ATOM 595 N ASN A 223 19.192 -5.675 5.453 1.00 0.00 N ATOM 596 CA ASN A 223 20.589 -5.419 5.786 1.00 0.00 C ATOM 597 C ASN A 223 20.978 -6.128 7.079 1.00 0.00 C ATOM 598 O ASN A 223 22.147 -6.138 7.464 1.00 0.00 O ATOM 599 CB ASN A 223 20.834 -3.915 5.922 1.00 0.00 C ATOM 600 CG ASN A 223 20.926 -3.219 4.578 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.976 -3.224 3.935 1.00 0.00 O ATOM 602 ND2 ASN A 223 19.824 -2.617 4.147 1.00 0.00 N ATOM 0 H ASN A 223 18.527 -5.061 5.923 1.00 0.00 H new ATOM 0 HA ASN A 223 21.208 -5.810 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 223 20.027 -3.470 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.757 -3.749 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 223 19.825 -2.133 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 223 18.976 -2.639 4.714 1.00 0.00 H new ATOM 609 N GLN A 224 19.991 -6.721 7.743 1.00 0.00 N ATOM 610 CA GLN A 224 20.231 -7.433 8.993 1.00 0.00 C ATOM 611 C GLN A 224 21.075 -6.592 9.945 1.00 0.00 C ATOM 612 O GLN A 224 22.113 -7.041 10.432 1.00 0.00 O ATOM 613 CB GLN A 224 20.927 -8.767 8.718 1.00 0.00 C ATOM 614 CG GLN A 224 20.083 -9.738 7.907 1.00 0.00 C ATOM 615 CD GLN A 224 18.925 -10.309 8.702 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.011 -9.584 9.097 1.00 0.00 O ATOM 617 NE2 GLN A 224 18.957 -11.615 8.940 1.00 0.00 N ATOM 0 H GLN A 224 19.018 -6.723 7.437 1.00 0.00 H new ATOM 0 HA GLN A 224 19.267 -7.624 9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.860 -8.578 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.190 -9.233 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.697 -9.228 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.713 -10.554 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.734 -12.178 8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.204 -12.056 9.469 1.00 0.00 H new ATOM 626 N CYS A 225 20.624 -5.370 10.205 1.00 0.00 N ATOM 627 CA CYS A 225 21.338 -4.465 11.098 1.00 0.00 C ATOM 628 C CYS A 225 21.202 -4.915 12.550 1.00 0.00 C ATOM 629 O CYS A 225 22.197 -5.095 13.250 1.00 0.00 O ATOM 630 CB CYS A 225 20.807 -3.038 10.943 1.00 0.00 C ATOM 631 SG CYS A 225 18.989 -2.918 10.930 1.00 0.00 S ATOM 0 H CYS A 225 19.767 -4.983 9.810 1.00 0.00 H new ATOM 0 HA CYS A 225 22.394 -4.484 10.827 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.195 -2.427 11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.195 -2.616 10.016 1.00 0.00 H new ATOM 0 HG CYS A 225 18.546 -3.173 9.735 1.00 0.00 H new ATOM 636 N GLY A 226 19.962 -5.094 12.995 1.00 0.00 N ATOM 637 CA GLY A 226 19.719 -5.521 14.361 1.00 0.00 C ATOM 638 C GLY A 226 18.312 -5.201 14.826 1.00 0.00 C ATOM 639 O GLY A 226 17.788 -5.847 15.733 1.00 0.00 O ATOM 0 H GLY A 226 19.122 -4.951 12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.889 -6.595 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.436 -5.036 15.023 1.00 0.00 H new ATOM 643 N VAL A 227 17.699 -4.198 14.205 1.00 0.00 N ATOM 644 CA VAL A 227 16.344 -3.792 14.562 1.00 0.00 C ATOM 645 C VAL A 227 15.412 -4.996 14.635 1.00 0.00 C ATOM 646 O VAL A 227 14.376 -4.953 15.298 1.00 0.00 O ATOM 647 CB VAL A 227 15.778 -2.778 13.550 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.698 -3.396 12.162 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.412 -2.283 14.001 1.00 0.00 C ATOM 0 H VAL A 227 18.119 -3.652 13.453 1.00 0.00 H new ATOM 0 HA VAL A 227 16.402 -3.321 15.543 1.00 0.00 H new ATOM 0 HB VAL A 227 16.452 -1.923 13.502 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.296 -2.665 11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.695 -3.698 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.046 -4.269 12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.026 -1.567 13.275 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.726 -3.127 14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.503 -1.800 14.974 1.00 0.00 H new ATOM 659 N GLY A 228 15.786 -6.071 13.948 1.00 0.00 N ATOM 660 CA GLY A 228 14.973 -7.273 13.949 1.00 0.00 C ATOM 661 C GLY A 228 13.815 -7.190 12.973 1.00 0.00 C ATOM 662 O GLY A 228 13.942 -7.582 11.813 1.00 0.00 O ATOM 0 H GLY A 228 16.638 -6.131 13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.597 -8.130 13.696 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.586 -7.446 14.953 1.00 0.00 H new ATOM 666 N THR A 229 12.682 -6.679 13.444 1.00 0.00 N ATOM 667 CA THR A 229 11.496 -6.548 12.607 1.00 0.00 C ATOM 668 C THR A 229 10.987 -5.111 12.594 1.00 0.00 C ATOM 669 O THR A 229 11.082 -4.400 13.594 1.00 0.00 O ATOM 670 CB THR A 229 10.365 -7.477 13.085 1.00 0.00 C ATOM 671 OG1 THR A 229 10.156 -7.310 14.492 1.00 0.00 O ATOM 672 CG2 THR A 229 10.696 -8.932 12.787 1.00 0.00 C ATOM 0 H THR A 229 12.561 -6.349 14.401 1.00 0.00 H new ATOM 0 HA THR A 229 11.790 -6.835 11.597 1.00 0.00 H new ATOM 0 HB THR A 229 9.455 -7.210 12.548 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.434 -7.903 14.788 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.882 -9.569 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.826 -9.063 11.713 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.617 -9.208 13.301 1.00 0.00 H new ATOM 680 N VAL A 230 10.447 -4.690 11.455 1.00 0.00 N ATOM 681 CA VAL A 230 9.921 -3.337 11.313 1.00 0.00 C ATOM 682 C VAL A 230 8.834 -3.280 10.246 1.00 0.00 C ATOM 683 O VAL A 230 8.986 -3.838 9.160 1.00 0.00 O ATOM 684 CB VAL A 230 11.035 -2.337 10.950 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.501 -2.553 9.518 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.554 -0.908 11.153 1.00 0.00 C ATOM 0 H VAL A 230 10.362 -5.266 10.617 1.00 0.00 H new ATOM 0 HA VAL A 230 9.495 -3.060 12.277 1.00 0.00 H new ATOM 0 HB VAL A 230 11.884 -2.508 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.288 -1.838 9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.887 -3.567 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.662 -2.410 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.353 -0.214 10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.689 -0.721 10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.274 -0.763 12.196 1.00 0.00 H new ATOM 696 N ALA A 231 7.736 -2.600 10.564 1.00 0.00 N ATOM 697 CA ALA A 231 6.624 -2.467 9.631 1.00 0.00 C ATOM 698 C ALA A 231 7.124 -2.266 8.205 1.00 0.00 C ATOM 699 O ALA A 231 8.215 -1.737 7.988 1.00 0.00 O ATOM 700 CB ALA A 231 5.724 -1.312 10.045 1.00 0.00 C ATOM 0 H ALA A 231 7.594 -2.133 11.460 1.00 0.00 H new ATOM 0 HA ALA A 231 6.047 -3.391 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.898 -1.224 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.330 -1.498 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.299 -0.386 10.048 1.00 0.00 H new ATOM 706 N ARG A 232 6.321 -2.692 7.235 1.00 0.00 N ATOM 707 CA ARG A 232 6.684 -2.560 5.829 1.00 0.00 C ATOM 708 C ARG A 232 6.647 -1.098 5.394 1.00 0.00 C ATOM 709 O ARG A 232 7.420 -0.678 4.532 1.00 0.00 O ATOM 710 CB ARG A 232 5.738 -3.386 4.957 1.00 0.00 C ATOM 711 CG ARG A 232 5.996 -3.236 3.466 1.00 0.00 C ATOM 712 CD ARG A 232 4.854 -3.810 2.643 1.00 0.00 C ATOM 713 NE ARG A 232 4.707 -5.250 2.839 1.00 0.00 N ATOM 714 CZ ARG A 232 5.445 -6.157 2.208 1.00 0.00 C ATOM 715 NH1 ARG A 232 6.376 -5.775 1.345 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.252 -7.449 2.441 1.00 0.00 N ATOM 0 H ARG A 232 5.415 -3.131 7.397 1.00 0.00 H new ATOM 0 HA ARG A 232 7.701 -2.933 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.832 -4.437 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.710 -3.092 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.127 -2.182 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.925 -3.742 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 232 3.924 -3.310 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 232 5.029 -3.604 1.587 1.00 0.00 H new ATOM 0 HE ARG A 232 3.999 -5.577 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 232 6.527 -4.783 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 232 6.941 -6.473 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 232 4.537 -7.746 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.819 -8.145 1.956 1.00 0.00 H new ATOM 730 N GLU A 233 5.745 -0.328 5.995 1.00 0.00 N ATOM 731 CA GLU A 233 5.608 1.086 5.667 1.00 0.00 C ATOM 732 C GLU A 233 6.537 1.936 6.529 1.00 0.00 C ATOM 733 O GLU A 233 6.593 3.158 6.381 1.00 0.00 O ATOM 734 CB GLU A 233 4.159 1.539 5.859 1.00 0.00 C ATOM 735 CG GLU A 233 3.667 1.414 7.291 1.00 0.00 C ATOM 736 CD GLU A 233 2.157 1.495 7.398 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.568 2.418 6.797 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.564 0.636 8.083 1.00 0.00 O ATOM 0 H GLU A 233 5.099 -0.660 6.711 1.00 0.00 H new ATOM 0 HA GLU A 233 5.887 1.219 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.067 2.578 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.513 0.948 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 233 4.007 0.465 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.113 2.204 7.895 1.00 0.00 H new ATOM 745 N ASP A 234 7.263 1.283 7.429 1.00 0.00 N ATOM 746 CA ASP A 234 8.189 1.978 8.315 1.00 0.00 C ATOM 747 C ASP A 234 9.631 1.577 8.015 1.00 0.00 C ATOM 748 O ASP A 234 10.573 2.256 8.426 1.00 0.00 O ATOM 749 CB ASP A 234 7.856 1.674 9.776 1.00 0.00 C ATOM 750 CG ASP A 234 6.446 2.091 10.147 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.939 3.064 9.551 1.00 0.00 O ATOM 752 OD2 ASP A 234 5.850 1.443 11.032 1.00 0.00 O ATOM 0 H ASP A 234 7.228 0.273 7.564 1.00 0.00 H new ATOM 0 HA ASP A 234 8.084 3.049 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.976 0.606 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.566 2.189 10.422 1.00 0.00 H new ATOM 757 N LEU A 235 9.795 0.472 7.297 1.00 0.00 N ATOM 758 CA LEU A 235 11.122 -0.020 6.943 1.00 0.00 C ATOM 759 C LEU A 235 11.868 0.996 6.084 1.00 0.00 C ATOM 760 O LEU A 235 13.049 1.273 6.292 1.00 0.00 O ATOM 761 CB LEU A 235 11.012 -1.352 6.199 1.00 0.00 C ATOM 762 CG LEU A 235 12.131 -1.658 5.202 1.00 0.00 C ATOM 763 CD1 LEU A 235 13.405 -2.050 5.933 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.703 -2.760 4.243 1.00 0.00 C ATOM 0 H LEU A 235 9.026 -0.100 6.948 1.00 0.00 H new ATOM 0 HA LEU A 235 11.684 -0.171 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.979 -2.155 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.062 -1.370 5.665 1.00 0.00 H new ATOM 0 HG LEU A 235 12.332 -0.757 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 235 14.190 -2.264 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 235 13.721 -1.230 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 235 13.219 -2.937 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.511 -2.965 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.474 -3.664 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 235 10.817 -2.441 3.694 1.00 0.00 H new ATOM 776 N PRO A 236 11.163 1.566 5.096 1.00 0.00 N ATOM 777 CA PRO A 236 11.738 2.562 4.186 1.00 0.00 C ATOM 778 C PRO A 236 12.497 3.656 4.930 1.00 0.00 C ATOM 779 O PRO A 236 13.711 3.790 4.787 1.00 0.00 O ATOM 780 CB PRO A 236 10.512 3.147 3.481 1.00 0.00 C ATOM 781 CG PRO A 236 9.489 2.065 3.540 1.00 0.00 C ATOM 782 CD PRO A 236 9.751 1.282 4.789 1.00 0.00 C ATOM 0 HA PRO A 236 12.468 2.121 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.162 4.051 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.740 3.420 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.483 2.485 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.555 1.423 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.095 1.595 5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.582 0.216 4.635 1.00 0.00 H new ATOM 790 N GLY A 237 11.772 4.437 5.725 1.00 0.00 N ATOM 791 CA GLY A 237 12.394 5.509 6.480 1.00 0.00 C ATOM 792 C GLY A 237 13.573 5.030 7.304 1.00 0.00 C ATOM 793 O GLY A 237 14.530 5.773 7.522 1.00 0.00 O ATOM 0 H GLY A 237 10.765 4.346 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.727 6.287 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.654 5.962 7.140 1.00 0.00 H new ATOM 797 N HIS A 238 13.503 3.785 7.765 1.00 0.00 N ATOM 798 CA HIS A 238 14.573 3.208 8.571 1.00 0.00 C ATOM 799 C HIS A 238 15.841 3.025 7.741 1.00 0.00 C ATOM 800 O HIS A 238 16.924 3.454 8.141 1.00 0.00 O ATOM 801 CB HIS A 238 14.133 1.864 9.154 1.00 0.00 C ATOM 802 CG HIS A 238 15.272 0.934 9.440 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.806 0.765 10.700 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.976 0.119 8.621 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.792 -0.113 10.643 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.915 -0.521 9.392 1.00 0.00 N ATOM 0 H HIS A 238 12.717 3.157 7.594 1.00 0.00 H new ATOM 0 HA HIS A 238 14.791 3.896 9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.579 2.041 10.076 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.447 1.382 8.457 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.827 -0.005 7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.395 -0.441 11.477 1.00 0.00 H new ATOM 0 HE2 HIS A 238 17.596 -1.201 9.054 1.00 0.00 H new ATOM 814 N LEU A 239 15.698 2.386 6.586 1.00 0.00 N ATOM 815 CA LEU A 239 16.832 2.146 5.699 1.00 0.00 C ATOM 816 C LEU A 239 17.504 3.458 5.307 1.00 0.00 C ATOM 817 O LEU A 239 18.675 3.479 4.927 1.00 0.00 O ATOM 818 CB LEU A 239 16.375 1.398 4.445 1.00 0.00 C ATOM 819 CG LEU A 239 15.934 -0.051 4.652 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.207 -0.568 3.420 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.131 -0.932 4.975 1.00 0.00 C ATOM 0 H LEU A 239 14.809 2.025 6.241 1.00 0.00 H new ATOM 0 HA LEU A 239 17.558 1.534 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.547 1.949 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.191 1.409 3.722 1.00 0.00 H new ATOM 0 HG LEU A 239 15.246 -0.084 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.900 -1.601 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.326 0.046 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.873 -0.521 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.798 -1.960 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.844 -0.894 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.610 -0.575 5.886 1.00 0.00 H new ATOM 833 N LYS A 240 16.755 4.552 5.403 1.00 0.00 N ATOM 834 CA LYS A 240 17.278 5.869 5.061 1.00 0.00 C ATOM 835 C LYS A 240 18.475 6.224 5.937 1.00 0.00 C ATOM 836 O LYS A 240 19.592 6.382 5.444 1.00 0.00 O ATOM 837 CB LYS A 240 16.186 6.930 5.218 1.00 0.00 C ATOM 838 CG LYS A 240 16.621 8.319 4.785 1.00 0.00 C ATOM 839 CD LYS A 240 16.341 8.557 3.310 1.00 0.00 C ATOM 840 CE LYS A 240 14.918 9.042 3.084 1.00 0.00 C ATOM 841 NZ LYS A 240 14.595 9.158 1.634 1.00 0.00 N ATOM 0 H LYS A 240 15.784 4.552 5.715 1.00 0.00 H new ATOM 0 HA LYS A 240 17.606 5.843 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.315 6.632 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 240 15.873 6.965 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 240 16.098 9.067 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.686 8.445 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 240 17.044 9.293 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 240 16.504 7.634 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.220 8.352 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 240 14.784 10.011 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 13.616 9.491 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 15.245 9.836 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 14.698 8.228 1.180 1.00 0.00 H new ATOM 855 N ASP A 241 18.235 6.344 7.238 1.00 0.00 N ATOM 856 CA ASP A 241 19.294 6.677 8.184 1.00 0.00 C ATOM 857 C ASP A 241 19.371 5.641 9.301 1.00 0.00 C ATOM 858 O ASP A 241 20.452 5.161 9.642 1.00 0.00 O ATOM 859 CB ASP A 241 19.060 8.068 8.776 1.00 0.00 C ATOM 860 CG ASP A 241 20.065 8.413 9.857 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.216 7.937 9.771 1.00 0.00 O ATOM 862 OD2 ASP A 241 19.700 9.159 10.790 1.00 0.00 O ATOM 0 H ASP A 241 17.316 6.216 7.662 1.00 0.00 H new ATOM 0 HA ASP A 241 20.242 6.675 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.116 8.812 7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.053 8.119 9.190 1.00 0.00 H new ATOM 867 N SER A 242 18.217 5.302 9.867 1.00 0.00 N ATOM 868 CA SER A 242 18.154 4.326 10.949 1.00 0.00 C ATOM 869 C SER A 242 19.181 3.218 10.741 1.00 0.00 C ATOM 870 O SER A 242 20.135 3.086 11.509 1.00 0.00 O ATOM 871 CB SER A 242 16.750 3.726 11.041 1.00 0.00 C ATOM 872 OG SER A 242 16.507 3.195 12.332 1.00 0.00 O ATOM 0 H SER A 242 17.313 5.689 9.594 1.00 0.00 H new ATOM 0 HA SER A 242 18.384 4.839 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.008 4.492 10.813 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.637 2.940 10.294 1.00 0.00 H new ATOM 0 HG SER A 242 16.208 2.265 12.252 1.00 0.00 H new ATOM 878 N CYS A 243 18.980 2.421 9.696 1.00 0.00 N ATOM 879 CA CYS A 243 19.886 1.322 9.385 1.00 0.00 C ATOM 880 C CYS A 243 21.330 1.811 9.319 1.00 0.00 C ATOM 881 O CYS A 243 22.230 1.199 9.892 1.00 0.00 O ATOM 882 CB CYS A 243 19.495 0.671 8.058 1.00 0.00 C ATOM 883 SG CYS A 243 20.042 -1.058 7.888 1.00 0.00 S ATOM 0 H CYS A 243 18.197 2.516 9.050 1.00 0.00 H new ATOM 0 HA CYS A 243 19.807 0.582 10.181 1.00 0.00 H new ATOM 0 HB2 CYS A 243 18.411 0.710 7.952 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.916 1.256 7.241 1.00 0.00 H new ATOM 0 HG CYS A 243 19.004 -1.834 7.787 1.00 0.00 H new