USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=16 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 130:sc= -0.312 USER MOD Set 1.2: A 223 ASN : amide:sc= 0.131 K(o=-2.3,f=-4.2!) USER MOD Set 1.3: A 225 CYS SG : rot -81:sc= 0.11 USER MOD Set 1.4: A 238 HIS : no HE2:sc= -2.04 K(o=-2.3,f=-5.1!) USER MOD Set 1.5: A 242 SER OG : rot 170:sc= 0 USER MOD Set 1.6: A 243 CYS SG : rot 48:sc= -0.234 USER MOD Set 2.1: A 195 CYS SG : rot 110:sc= 1.15 USER MOD Set 2.2: A 198 CYS SG : rot -59:sc= -1.93 USER MOD Set 2.3: A 210 HIS : no HD1:sc= 0.0693 K(o=-1.9,f=-4.9) USER MOD Set 2.4: A 214 CYS SG : rot 145:sc= -1.2 USER MOD Single : A 192 THR OG1 : rot -35:sc= 0.213 USER MOD Single : A 193 GLN : amide:sc= -4.29! C(o=-4.3!,f=-5.3!) 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 12:sc= 0.687 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 180:sc= -0.042 USER MOD Single : A 208 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 209 SER OG : rot -12:sc= 0.894 USER MOD Single : A 211 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 224 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) 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 -16.755 -10.079 6.563 1.00 0.00 N ATOM 113 CA THR A 192 -15.540 -9.274 6.569 1.00 0.00 C ATOM 114 C THR A 192 -14.721 -9.524 7.830 1.00 0.00 C ATOM 115 O THR A 192 -15.270 -9.633 8.926 1.00 0.00 O ATOM 116 CB THR A 192 -15.862 -7.771 6.470 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.891 -7.427 7.404 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.305 -7.404 5.061 1.00 0.00 C ATOM 0 HA THR A 192 -14.959 -9.572 5.696 1.00 0.00 H new ATOM 0 HB THR A 192 -14.957 -7.212 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.524 -8.171 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.527 -6.338 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.508 -7.639 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.198 -7.972 4.801 1.00 0.00 H new ATOM 126 N GLN A 193 -13.405 -9.613 7.667 1.00 0.00 N ATOM 127 CA GLN A 193 -12.510 -9.851 8.794 1.00 0.00 C ATOM 128 C GLN A 193 -11.685 -8.607 9.106 1.00 0.00 C ATOM 129 O GLN A 193 -10.876 -8.150 8.298 1.00 0.00 O ATOM 130 CB GLN A 193 -11.584 -11.031 8.497 1.00 0.00 C ATOM 131 CG GLN A 193 -12.146 -12.372 8.938 1.00 0.00 C ATOM 132 CD GLN A 193 -12.965 -13.047 7.855 1.00 0.00 C ATOM 133 OE1 GLN A 193 -12.529 -14.028 7.252 1.00 0.00 O ATOM 134 NE2 GLN A 193 -14.158 -12.523 7.602 1.00 0.00 N ATOM 0 H GLN A 193 -12.935 -9.524 6.766 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.120 -10.088 9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.385 -11.065 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -10.628 -10.866 8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -11.325 -13.027 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.768 -12.228 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -14.479 -11.709 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -14.754 -12.934 6.883 1.00 0.00 H new ATOM 143 N PRO A 194 -11.892 -8.044 10.305 1.00 0.00 N ATOM 144 CA PRO A 194 -11.176 -6.845 10.751 1.00 0.00 C ATOM 145 C PRO A 194 -9.701 -7.118 11.025 1.00 0.00 C ATOM 146 O PRO A 194 -9.338 -7.607 12.096 1.00 0.00 O ATOM 147 CB PRO A 194 -11.898 -6.461 12.045 1.00 0.00 C ATOM 148 CG PRO A 194 -12.486 -7.736 12.543 1.00 0.00 C ATOM 149 CD PRO A 194 -12.841 -8.534 11.319 1.00 0.00 C ATOM 0 HA PRO A 194 -11.184 -6.061 9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.207 -6.033 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.670 -5.714 11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.775 -8.276 13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.368 -7.546 13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.728 -9.604 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.875 -8.367 11.016 1.00 0.00 H new ATOM 157 N CYS A 195 -8.855 -6.800 10.052 1.00 0.00 N ATOM 158 CA CYS A 195 -7.419 -7.012 10.188 1.00 0.00 C ATOM 159 C CYS A 195 -6.901 -6.408 11.490 1.00 0.00 C ATOM 160 O CYS A 195 -7.354 -5.347 11.920 1.00 0.00 O ATOM 161 CB CYS A 195 -6.677 -6.398 8.998 1.00 0.00 C ATOM 162 SG CYS A 195 -4.908 -6.826 8.924 1.00 0.00 S ATOM 0 H CYS A 195 -9.139 -6.394 9.160 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.236 -8.086 10.208 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.158 -6.725 8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.776 -5.313 9.042 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.697 -7.628 7.923 1.00 0.00 H new ATOM 167 N THR A 196 -5.947 -7.092 12.114 1.00 0.00 N ATOM 168 CA THR A 196 -5.367 -6.625 13.367 1.00 0.00 C ATOM 169 C THR A 196 -4.185 -5.697 13.114 1.00 0.00 C ATOM 170 O THR A 196 -3.750 -4.971 14.009 1.00 0.00 O ATOM 171 CB THR A 196 -4.902 -7.803 14.245 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.025 -8.611 14.614 1.00 0.00 O ATOM 173 CG2 THR A 196 -4.198 -7.301 15.496 1.00 0.00 C ATOM 0 H THR A 196 -5.560 -7.971 11.772 1.00 0.00 H new ATOM 0 HA THR A 196 -6.149 -6.077 13.892 1.00 0.00 H new ATOM 0 HB THR A 196 -4.198 -8.402 13.668 1.00 0.00 H new ATOM 0 HG1 THR A 196 -5.721 -9.358 15.170 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.879 -8.151 16.100 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.327 -6.711 15.211 1.00 0.00 H new ATOM 0 HG23 THR A 196 -4.883 -6.681 16.075 1.00 0.00 H new ATOM 181 N TYR A 197 -3.668 -5.725 11.891 1.00 0.00 N ATOM 182 CA TYR A 197 -2.534 -4.887 11.521 1.00 0.00 C ATOM 183 C TYR A 197 -2.995 -3.485 11.135 1.00 0.00 C ATOM 184 O TYR A 197 -2.748 -2.517 11.855 1.00 0.00 O ATOM 185 CB TYR A 197 -1.763 -5.519 10.361 1.00 0.00 C ATOM 186 CG TYR A 197 -1.343 -6.948 10.620 1.00 0.00 C ATOM 187 CD1 TYR A 197 -0.550 -7.273 11.714 1.00 0.00 C ATOM 188 CD2 TYR A 197 -1.740 -7.974 9.771 1.00 0.00 C ATOM 189 CE1 TYR A 197 -0.164 -8.577 11.954 1.00 0.00 C ATOM 190 CE2 TYR A 197 -1.360 -9.282 10.005 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.572 -9.578 11.097 1.00 0.00 C ATOM 192 OH TYR A 197 -0.190 -10.879 11.333 1.00 0.00 O ATOM 0 H TYR A 197 -4.016 -6.319 11.139 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.876 -4.808 12.386 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.382 -5.488 9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -0.876 -4.920 10.156 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -0.230 -6.492 12.388 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.356 -7.745 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.454 -8.812 12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -1.679 -10.068 9.336 1.00 0.00 H new ATOM 0 HH TYR A 197 -0.562 -11.460 10.637 1.00 0.00 H new ATOM 202 N CYS A 198 -3.669 -3.384 9.994 1.00 0.00 N ATOM 203 CA CYS A 198 -4.167 -2.102 9.510 1.00 0.00 C ATOM 204 C CYS A 198 -5.435 -1.695 10.255 1.00 0.00 C ATOM 205 O CYS A 198 -5.984 -0.616 10.027 1.00 0.00 O ATOM 206 CB CYS A 198 -4.445 -2.173 8.008 1.00 0.00 C ATOM 207 SG CYS A 198 -5.625 -3.477 7.531 1.00 0.00 S ATOM 0 H CYS A 198 -3.883 -4.175 9.387 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.401 -1.349 9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.830 -1.209 7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.504 -2.339 7.483 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.172 -4.634 7.915 1.00 0.00 H new ATOM 212 N THR A 199 -5.896 -2.565 11.148 1.00 0.00 N ATOM 213 CA THR A 199 -7.099 -2.298 11.926 1.00 0.00 C ATOM 214 C THR A 199 -8.253 -1.874 11.025 1.00 0.00 C ATOM 215 O THR A 199 -9.119 -1.099 11.431 1.00 0.00 O ATOM 216 CB THR A 199 -6.855 -1.201 12.979 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.516 0.031 12.333 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.739 -1.604 13.931 1.00 0.00 C ATOM 0 H THR A 199 -5.454 -3.462 11.350 1.00 0.00 H new ATOM 0 HA THR A 199 -7.360 -3.227 12.434 1.00 0.00 H new ATOM 0 HB THR A 199 -7.772 -1.069 13.554 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.705 -0.040 11.374 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.585 -0.814 14.666 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.013 -2.527 14.443 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.819 -1.761 13.368 1.00 0.00 H new ATOM 226 N LYS A 200 -8.261 -2.388 9.800 1.00 0.00 N ATOM 227 CA LYS A 200 -9.310 -2.064 8.840 1.00 0.00 C ATOM 228 C LYS A 200 -10.300 -3.217 8.708 1.00 0.00 C ATOM 229 O LYS A 200 -10.212 -4.208 9.431 1.00 0.00 O ATOM 230 CB LYS A 200 -8.699 -1.743 7.474 1.00 0.00 C ATOM 231 CG LYS A 200 -7.923 -0.438 7.447 1.00 0.00 C ATOM 232 CD LYS A 200 -7.445 -0.102 6.044 1.00 0.00 C ATOM 233 CE LYS A 200 -6.937 1.329 5.956 1.00 0.00 C ATOM 234 NZ LYS A 200 -5.891 1.482 4.907 1.00 0.00 N ATOM 0 H LYS A 200 -7.552 -3.031 9.448 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.845 -1.188 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.035 -2.557 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.495 -1.698 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.553 0.369 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.066 -0.509 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.650 -0.790 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -8.262 -0.243 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.770 1.998 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -6.530 1.630 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -5.570 2.471 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.085 0.863 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.286 1.219 3.982 1.00 0.00 H new ATOM 248 N GLU A 201 -11.241 -3.079 7.779 1.00 0.00 N ATOM 249 CA GLU A 201 -12.247 -4.111 7.552 1.00 0.00 C ATOM 250 C GLU A 201 -12.332 -4.472 6.072 1.00 0.00 C ATOM 251 O GLU A 201 -12.613 -3.620 5.229 1.00 0.00 O ATOM 252 CB GLU A 201 -13.614 -3.640 8.053 1.00 0.00 C ATOM 253 CG GLU A 201 -13.598 -3.142 9.488 1.00 0.00 C ATOM 254 CD GLU A 201 -13.905 -4.239 10.489 1.00 0.00 C ATOM 255 OE1 GLU A 201 -14.071 -5.402 10.064 1.00 0.00 O ATOM 256 OE2 GLU A 201 -13.981 -3.934 11.698 1.00 0.00 O ATOM 0 H GLU A 201 -11.328 -2.264 7.172 1.00 0.00 H new ATOM 0 HA GLU A 201 -11.951 -5.000 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.974 -2.841 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.325 -4.462 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -12.620 -2.716 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.328 -2.340 9.599 1.00 0.00 H new ATOM 263 N PHE A 202 -12.086 -5.741 5.764 1.00 0.00 N ATOM 264 CA PHE A 202 -12.133 -6.216 4.386 1.00 0.00 C ATOM 265 C PHE A 202 -12.929 -7.514 4.285 1.00 0.00 C ATOM 266 O PHE A 202 -13.386 -8.055 5.292 1.00 0.00 O ATOM 267 CB PHE A 202 -10.716 -6.430 3.849 1.00 0.00 C ATOM 268 CG PHE A 202 -9.927 -5.159 3.718 1.00 0.00 C ATOM 269 CD1 PHE A 202 -10.176 -4.278 2.678 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.936 -4.845 4.634 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.450 -3.108 2.554 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.207 -3.676 4.516 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.466 -2.806 3.475 1.00 0.00 C ATOM 0 H PHE A 202 -11.852 -6.459 6.450 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.631 -5.457 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.184 -7.112 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.775 -6.914 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.946 -4.508 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.730 -5.522 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.652 -2.431 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.437 -3.444 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.900 -1.891 3.381 1.00 0.00 H new ATOM 283 N VAL A 203 -13.090 -8.008 3.061 1.00 0.00 N ATOM 284 CA VAL A 203 -13.830 -9.243 2.827 1.00 0.00 C ATOM 285 C VAL A 203 -13.009 -10.461 3.235 1.00 0.00 C ATOM 286 O VAL A 203 -11.779 -10.412 3.265 1.00 0.00 O ATOM 287 CB VAL A 203 -14.236 -9.382 1.348 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.363 -10.392 1.196 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.638 -8.031 0.777 1.00 0.00 C ATOM 0 H VAL A 203 -12.718 -7.572 2.217 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.730 -9.194 3.440 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.376 -9.747 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.636 -10.477 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -15.033 -11.363 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -16.228 -10.061 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.922 -8.148 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.483 -7.635 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.798 -7.341 0.850 1.00 0.00 H new ATOM 299 N PHE A 204 -13.697 -11.554 3.547 1.00 0.00 N ATOM 300 CA PHE A 204 -13.032 -12.786 3.953 1.00 0.00 C ATOM 301 C PHE A 204 -12.326 -13.440 2.769 1.00 0.00 C ATOM 302 O PHE A 204 -11.299 -14.098 2.930 1.00 0.00 O ATOM 303 CB PHE A 204 -14.044 -13.761 4.560 1.00 0.00 C ATOM 304 CG PHE A 204 -14.623 -14.722 3.561 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.763 -14.395 2.846 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.026 -15.953 3.339 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.298 -15.278 1.926 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.557 -16.839 2.420 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.695 -16.502 1.714 1.00 0.00 C ATOM 0 H PHE A 204 -14.715 -11.612 3.526 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.284 -12.534 4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.560 -14.325 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.854 -13.193 5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.240 -13.440 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.137 -16.223 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.187 -15.010 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.082 -17.795 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.112 -17.194 0.998 1.00 0.00 H new ATOM 319 N ASP A 205 -12.886 -13.253 1.578 1.00 0.00 N ATOM 320 CA ASP A 205 -12.312 -13.824 0.365 1.00 0.00 C ATOM 321 C ASP A 205 -11.072 -13.046 -0.066 1.00 0.00 C ATOM 322 O ASP A 205 -10.181 -13.589 -0.721 1.00 0.00 O ATOM 323 CB ASP A 205 -13.345 -13.826 -0.762 1.00 0.00 C ATOM 324 CG ASP A 205 -12.707 -13.720 -2.133 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.510 -12.583 -2.609 1.00 0.00 O ATOM 326 OD2 ASP A 205 -12.405 -14.775 -2.730 1.00 0.00 O ATOM 0 H ASP A 205 -13.737 -12.711 1.427 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.019 -14.852 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -13.935 -14.741 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.035 -12.994 -0.620 1.00 0.00 H new ATOM 331 N THR A 206 -11.021 -11.770 0.304 1.00 0.00 N ATOM 332 CA THR A 206 -9.892 -10.917 -0.046 1.00 0.00 C ATOM 333 C THR A 206 -8.823 -10.946 1.040 1.00 0.00 C ATOM 334 O THR A 206 -7.630 -11.024 0.747 1.00 0.00 O ATOM 335 CB THR A 206 -10.338 -9.460 -0.273 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.852 -8.910 0.945 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.401 -9.383 -1.358 1.00 0.00 C ATOM 0 H THR A 206 -11.749 -11.305 0.846 1.00 0.00 H new ATOM 0 HA THR A 206 -9.475 -11.310 -0.973 1.00 0.00 H new ATOM 0 HB THR A 206 -9.471 -8.883 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.132 -7.983 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.701 -8.345 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.998 -9.776 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 206 -12.268 -9.973 -1.061 1.00 0.00 H new ATOM 345 N ILE A 207 -9.259 -10.884 2.294 1.00 0.00 N ATOM 346 CA ILE A 207 -8.338 -10.905 3.424 1.00 0.00 C ATOM 347 C ILE A 207 -7.119 -11.771 3.124 1.00 0.00 C ATOM 348 O ILE A 207 -5.998 -11.433 3.502 1.00 0.00 O ATOM 349 CB ILE A 207 -9.024 -11.428 4.700 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.254 -10.973 5.941 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.129 -12.945 4.660 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.582 -9.561 6.372 1.00 0.00 C ATOM 0 H ILE A 207 -10.243 -10.819 2.553 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.018 -9.876 3.589 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.032 -11.015 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.471 -11.655 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.185 -11.044 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.616 -13.300 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.716 -13.246 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.131 -13.377 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.000 -9.306 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.339 -8.869 5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.645 -9.489 6.604 1.00 0.00 H new ATOM 364 N GLN A 208 -7.348 -12.887 2.440 1.00 0.00 N ATOM 365 CA GLN A 208 -6.267 -13.801 2.088 1.00 0.00 C ATOM 366 C GLN A 208 -5.186 -13.083 1.288 1.00 0.00 C ATOM 367 O GLN A 208 -3.999 -13.182 1.601 1.00 0.00 O ATOM 368 CB GLN A 208 -6.813 -14.984 1.285 1.00 0.00 C ATOM 369 CG GLN A 208 -7.466 -16.054 2.145 1.00 0.00 C ATOM 370 CD GLN A 208 -6.467 -16.798 3.009 1.00 0.00 C ATOM 371 OE1 GLN A 208 -5.630 -17.547 2.506 1.00 0.00 O ATOM 372 NE2 GLN A 208 -6.550 -16.594 4.319 1.00 0.00 N ATOM 0 H GLN A 208 -8.271 -13.180 2.119 1.00 0.00 H new ATOM 0 HA GLN A 208 -5.823 -14.172 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.541 -14.616 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -5.999 -15.433 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.219 -15.592 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -7.985 -16.765 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -7.260 -15.964 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -5.904 -17.067 4.951 1.00 0.00 H new ATOM 381 N SER A 209 -5.603 -12.362 0.252 1.00 0.00 N ATOM 382 CA SER A 209 -4.670 -11.631 -0.596 1.00 0.00 C ATOM 383 C SER A 209 -4.199 -10.352 0.091 1.00 0.00 C ATOM 384 O SER A 209 -3.037 -9.960 -0.030 1.00 0.00 O ATOM 385 CB SER A 209 -5.324 -11.292 -1.937 1.00 0.00 C ATOM 386 OG SER A 209 -6.545 -10.597 -1.747 1.00 0.00 O ATOM 0 H SER A 209 -6.582 -12.269 -0.020 1.00 0.00 H new ATOM 0 HA SER A 209 -3.803 -12.268 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 209 -4.644 -10.683 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.507 -12.208 -2.498 1.00 0.00 H new ATOM 0 HG SER A 209 -6.809 -10.650 -0.805 1.00 0.00 H new ATOM 392 N HIS A 210 -5.109 -9.706 0.812 1.00 0.00 N ATOM 393 CA HIS A 210 -4.788 -8.471 1.519 1.00 0.00 C ATOM 394 C HIS A 210 -3.556 -8.655 2.401 1.00 0.00 C ATOM 395 O HIS A 210 -2.634 -7.839 2.372 1.00 0.00 O ATOM 396 CB HIS A 210 -5.976 -8.023 2.371 1.00 0.00 C ATOM 397 CG HIS A 210 -5.590 -7.151 3.526 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.308 -5.808 3.394 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.441 -7.437 4.840 1.00 0.00 C ATOM 400 CE1 HIS A 210 -5.001 -5.306 4.576 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.075 -6.274 5.472 1.00 0.00 N ATOM 0 H HIS A 210 -6.074 -10.017 0.922 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.572 -7.702 0.777 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.682 -7.484 1.740 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.494 -8.904 2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.583 -8.401 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.735 -4.279 4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -4.890 -6.174 6.470 1.00 0.00 H new ATOM 409 N GLN A 211 -3.548 -9.729 3.182 1.00 0.00 N ATOM 410 CA GLN A 211 -2.430 -10.018 4.073 1.00 0.00 C ATOM 411 C GLN A 211 -1.110 -9.574 3.450 1.00 0.00 C ATOM 412 O GLN A 211 -0.209 -9.107 4.147 1.00 0.00 O ATOM 413 CB GLN A 211 -2.379 -11.512 4.394 1.00 0.00 C ATOM 414 CG GLN A 211 -3.420 -11.952 5.410 1.00 0.00 C ATOM 415 CD GLN A 211 -3.299 -13.419 5.773 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.391 -14.111 5.312 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.216 -13.902 6.603 1.00 0.00 N ATOM 0 H GLN A 211 -4.303 -10.414 3.217 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.581 -9.461 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.520 -12.078 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.387 -11.760 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.319 -11.349 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.416 -11.762 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.951 -13.293 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.185 -14.882 6.882 1.00 0.00 H new ATOM 426 N TYR A 212 -1.003 -9.724 2.135 1.00 0.00 N ATOM 427 CA TYR A 212 0.209 -9.341 1.418 1.00 0.00 C ATOM 428 C TYR A 212 0.285 -7.827 1.248 1.00 0.00 C ATOM 429 O TYR A 212 1.323 -7.215 1.501 1.00 0.00 O ATOM 430 CB TYR A 212 0.253 -10.022 0.050 1.00 0.00 C ATOM 431 CG TYR A 212 0.876 -11.399 0.079 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.178 -12.489 0.584 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.163 -11.612 -0.400 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.743 -13.749 0.613 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.736 -12.868 -0.376 1.00 0.00 C ATOM 436 CZ TYR A 212 2.023 -13.934 0.132 1.00 0.00 C ATOM 437 OH TYR A 212 2.589 -15.187 0.158 1.00 0.00 O ATOM 0 H TYR A 212 -1.740 -10.108 1.543 1.00 0.00 H new ATOM 0 HA TYR A 212 1.067 -9.666 2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.762 -10.100 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.814 -9.393 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.824 -12.349 0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.725 -10.780 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 212 0.186 -14.585 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.737 -13.015 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 212 3.493 -15.145 -0.218 1.00 0.00 H new ATOM 447 N GLN A 213 -0.821 -7.229 0.818 1.00 0.00 N ATOM 448 CA GLN A 213 -0.880 -5.787 0.614 1.00 0.00 C ATOM 449 C GLN A 213 -0.654 -5.042 1.925 1.00 0.00 C ATOM 450 O GLN A 213 0.141 -4.103 1.989 1.00 0.00 O ATOM 451 CB GLN A 213 -2.230 -5.390 0.015 1.00 0.00 C ATOM 452 CG GLN A 213 -2.447 -5.912 -1.396 1.00 0.00 C ATOM 453 CD GLN A 213 -1.381 -5.437 -2.364 1.00 0.00 C ATOM 454 OE1 GLN A 213 -1.420 -4.303 -2.842 1.00 0.00 O ATOM 455 NE2 GLN A 213 -0.420 -6.305 -2.659 1.00 0.00 N ATOM 0 H GLN A 213 -1.689 -7.721 0.604 1.00 0.00 H new ATOM 0 HA GLN A 213 -0.087 -5.511 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -3.027 -5.763 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -2.309 -4.303 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -2.457 -7.002 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -3.425 -5.590 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -0.426 -7.235 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 213 0.324 -6.042 -3.305 1.00 0.00 H new ATOM 464 N CYS A 214 -1.357 -5.466 2.970 1.00 0.00 N ATOM 465 CA CYS A 214 -1.234 -4.839 4.281 1.00 0.00 C ATOM 466 C CYS A 214 0.199 -4.377 4.530 1.00 0.00 C ATOM 467 O CYS A 214 1.086 -5.168 4.849 1.00 0.00 O ATOM 468 CB CYS A 214 -1.666 -5.813 5.378 1.00 0.00 C ATOM 469 SG CYS A 214 -2.158 -5.008 6.936 1.00 0.00 S ATOM 0 H CYS A 214 -2.018 -6.242 2.934 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.887 -3.967 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.501 -6.410 5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.846 -6.502 5.581 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.132 -5.675 7.480 1.00 0.00 H new ATOM 474 N PRO A 215 0.432 -3.064 4.382 1.00 0.00 N ATOM 475 CA PRO A 215 1.754 -2.466 4.587 1.00 0.00 C ATOM 476 C PRO A 215 2.173 -2.475 6.053 1.00 0.00 C ATOM 477 O PRO A 215 3.299 -2.847 6.385 1.00 0.00 O ATOM 478 CB PRO A 215 1.575 -1.030 4.090 1.00 0.00 C ATOM 479 CG PRO A 215 0.120 -0.753 4.247 1.00 0.00 C ATOM 480 CD PRO A 215 -0.579 -2.062 4.003 1.00 0.00 C ATOM 0 HA PRO A 215 2.536 -3.017 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.176 -0.332 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.887 -0.929 3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.100 -0.373 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.212 0.005 3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.482 -2.154 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.880 -2.169 2.961 1.00 0.00 H new ATOM 488 N ARG A 216 1.260 -2.062 6.927 1.00 0.00 N ATOM 489 CA ARG A 216 1.536 -2.022 8.358 1.00 0.00 C ATOM 490 C ARG A 216 2.221 -3.306 8.816 1.00 0.00 C ATOM 491 O ARG A 216 3.003 -3.300 9.768 1.00 0.00 O ATOM 492 CB ARG A 216 0.239 -1.815 9.143 1.00 0.00 C ATOM 493 CG ARG A 216 -0.462 -0.503 8.826 1.00 0.00 C ATOM 494 CD ARG A 216 0.007 0.615 9.744 1.00 0.00 C ATOM 495 NE ARG A 216 -0.838 1.801 9.637 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.815 2.629 8.598 1.00 0.00 C ATOM 497 NH1 ARG A 216 0.006 2.400 7.582 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.614 3.687 8.574 1.00 0.00 N ATOM 0 H ARG A 216 0.324 -1.751 6.669 1.00 0.00 H new ATOM 0 HA ARG A 216 2.207 -1.185 8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.440 -2.641 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.460 -1.851 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.270 -0.228 7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.540 -0.631 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.007 0.262 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.035 0.879 9.498 1.00 0.00 H new ATOM 0 HE ARG A 216 -1.481 2.005 10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 216 0.622 1.587 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 216 0.022 3.037 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -2.247 3.866 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.596 4.322 7.776 1.00 0.00 H new ATOM 512 N LEU A 217 1.921 -4.406 8.134 1.00 0.00 N ATOM 513 CA LEU A 217 2.508 -5.699 8.471 1.00 0.00 C ATOM 514 C LEU A 217 4.011 -5.573 8.695 1.00 0.00 C ATOM 515 O LEU A 217 4.752 -5.082 7.842 1.00 0.00 O ATOM 516 CB LEU A 217 2.229 -6.712 7.360 1.00 0.00 C ATOM 517 CG LEU A 217 2.884 -8.084 7.523 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.980 -9.018 8.311 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.216 -8.681 6.163 1.00 0.00 C ATOM 0 H LEU A 217 1.275 -4.429 7.345 1.00 0.00 H new ATOM 0 HA LEU A 217 2.050 -6.048 9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.151 -6.853 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.560 -6.284 6.414 1.00 0.00 H new ATOM 0 HG LEU A 217 3.813 -7.958 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.464 -9.989 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.794 -8.596 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.034 -9.139 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.681 -9.657 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.301 -8.793 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.904 -8.021 5.634 1.00 0.00 H new ATOM 531 N PRO A 218 4.475 -6.028 9.868 1.00 0.00 N ATOM 532 CA PRO A 218 5.895 -5.980 10.230 1.00 0.00 C ATOM 533 C PRO A 218 6.736 -6.952 9.409 1.00 0.00 C ATOM 534 O PRO A 218 6.431 -8.142 9.334 1.00 0.00 O ATOM 535 CB PRO A 218 5.898 -6.386 11.706 1.00 0.00 C ATOM 536 CG PRO A 218 4.665 -7.204 11.877 1.00 0.00 C ATOM 537 CD PRO A 218 3.650 -6.625 10.931 1.00 0.00 C ATOM 0 HA PRO A 218 6.331 -4.999 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 218 6.791 -6.959 11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 218 5.886 -5.512 12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 218 4.857 -8.252 11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.308 -7.162 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 218 2.983 -7.393 10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.024 -5.879 11.421 1.00 0.00 H new ATOM 545 N VAL A 219 7.796 -6.437 8.794 1.00 0.00 N ATOM 546 CA VAL A 219 8.682 -7.259 7.979 1.00 0.00 C ATOM 547 C VAL A 219 10.124 -7.160 8.464 1.00 0.00 C ATOM 548 O VAL A 219 10.669 -6.065 8.601 1.00 0.00 O ATOM 549 CB VAL A 219 8.621 -6.850 6.495 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.185 -6.874 5.993 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.241 -5.475 6.297 1.00 0.00 C ATOM 0 H VAL A 219 8.062 -5.454 8.845 1.00 0.00 H new ATOM 0 HA VAL A 219 8.338 -8.289 8.078 1.00 0.00 H new ATOM 0 HB VAL A 219 9.196 -7.570 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.162 -6.582 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.779 -7.880 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.584 -6.177 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.190 -5.201 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.695 -4.741 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.283 -5.496 6.616 1.00 0.00 H new ATOM 561 N ALA A 220 10.736 -8.311 8.721 1.00 0.00 N ATOM 562 CA ALA A 220 12.116 -8.354 9.188 1.00 0.00 C ATOM 563 C ALA A 220 13.050 -7.656 8.206 1.00 0.00 C ATOM 564 O ALA A 220 12.983 -7.886 6.998 1.00 0.00 O ATOM 565 CB ALA A 220 12.555 -9.795 9.403 1.00 0.00 C ATOM 0 H ALA A 220 10.298 -9.226 8.614 1.00 0.00 H new ATOM 0 HA ALA A 220 12.169 -7.823 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 220 13.588 -9.813 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 220 11.912 -10.264 10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.480 -10.342 8.463 1.00 0.00 H new ATOM 571 N CYS A 221 13.921 -6.800 8.731 1.00 0.00 N ATOM 572 CA CYS A 221 14.868 -6.066 7.901 1.00 0.00 C ATOM 573 C CYS A 221 15.791 -7.024 7.152 1.00 0.00 C ATOM 574 O CYS A 221 16.307 -7.992 7.710 1.00 0.00 O ATOM 575 CB CYS A 221 15.697 -5.110 8.760 1.00 0.00 C ATOM 576 SG CYS A 221 16.898 -4.115 7.819 1.00 0.00 S ATOM 0 H CYS A 221 13.990 -6.598 9.728 1.00 0.00 H new ATOM 0 HA CYS A 221 14.301 -5.489 7.170 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.022 -4.439 9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.232 -5.687 9.514 1.00 0.00 H new ATOM 0 HG CYS A 221 16.763 -2.861 8.133 1.00 0.00 H new ATOM 581 N PRO A 222 16.003 -6.748 5.856 1.00 0.00 N ATOM 582 CA PRO A 222 16.864 -7.572 5.003 1.00 0.00 C ATOM 583 C PRO A 222 18.338 -7.446 5.372 1.00 0.00 C ATOM 584 O PRO A 222 19.136 -8.340 5.093 1.00 0.00 O ATOM 585 CB PRO A 222 16.614 -7.011 3.600 1.00 0.00 C ATOM 586 CG PRO A 222 16.178 -5.605 3.827 1.00 0.00 C ATOM 587 CD PRO A 222 15.420 -5.611 5.125 1.00 0.00 C ATOM 0 HA PRO A 222 16.637 -8.634 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.517 -7.052 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.849 -7.583 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.036 -4.934 3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.548 -5.255 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.548 -4.675 5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.350 -5.743 4.965 1.00 0.00 H new ATOM 595 N ASN A 223 18.692 -6.331 6.002 1.00 0.00 N ATOM 596 CA ASN A 223 20.071 -6.089 6.410 1.00 0.00 C ATOM 597 C ASN A 223 20.311 -6.577 7.835 1.00 0.00 C ATOM 598 O ASN A 223 21.416 -6.460 8.363 1.00 0.00 O ATOM 599 CB ASN A 223 20.401 -4.598 6.308 1.00 0.00 C ATOM 600 CG ASN A 223 20.533 -4.132 4.870 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.827 -4.924 3.974 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.317 -2.842 4.644 1.00 0.00 N ATOM 0 H ASN A 223 18.043 -5.581 6.241 1.00 0.00 H new ATOM 0 HA ASN A 223 20.725 -6.646 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.620 -4.021 6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.332 -4.397 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.392 -2.471 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.076 -2.222 5.417 1.00 0.00 H new ATOM 609 N GLN A 224 19.268 -7.125 8.450 1.00 0.00 N ATOM 610 CA GLN A 224 19.365 -7.631 9.814 1.00 0.00 C ATOM 611 C GLN A 224 20.213 -6.705 10.679 1.00 0.00 C ATOM 612 O GLN A 224 21.187 -7.134 11.298 1.00 0.00 O ATOM 613 CB GLN A 224 19.963 -9.039 9.816 1.00 0.00 C ATOM 614 CG GLN A 224 18.923 -10.142 9.701 1.00 0.00 C ATOM 615 CD GLN A 224 19.474 -11.398 9.056 1.00 0.00 C ATOM 616 OE1 GLN A 224 19.564 -12.449 9.692 1.00 0.00 O ATOM 617 NE2 GLN A 224 19.846 -11.297 7.785 1.00 0.00 N ATOM 0 H GLN A 224 18.346 -7.230 8.026 1.00 0.00 H new ATOM 0 HA GLN A 224 18.359 -7.670 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 224 20.667 -9.127 8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 224 20.532 -9.182 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 224 18.544 -10.384 10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.077 -9.779 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.754 -10.407 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 224 20.224 -12.110 7.298 1.00 0.00 H new ATOM 626 N CYS A 225 19.836 -5.431 10.719 1.00 0.00 N ATOM 627 CA CYS A 225 20.562 -4.442 11.507 1.00 0.00 C ATOM 628 C CYS A 225 20.336 -4.665 13.000 1.00 0.00 C ATOM 629 O CYS A 225 21.287 -4.738 13.778 1.00 0.00 O ATOM 630 CB CYS A 225 20.123 -3.029 11.120 1.00 0.00 C ATOM 631 SG CYS A 225 18.317 -2.794 11.084 1.00 0.00 S ATOM 0 H CYS A 225 19.031 -5.059 10.214 1.00 0.00 H new ATOM 0 HA CYS A 225 21.625 -4.555 11.297 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.557 -2.320 11.825 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.529 -2.790 10.137 1.00 0.00 H new ATOM 0 HG CYS A 225 17.843 -3.248 9.962 1.00 0.00 H new ATOM 636 N GLY A 226 19.070 -4.774 13.392 1.00 0.00 N ATOM 637 CA GLY A 226 18.743 -4.988 14.790 1.00 0.00 C ATOM 638 C GLY A 226 17.287 -4.694 15.095 1.00 0.00 C ATOM 639 O GLY A 226 16.679 -5.346 15.944 1.00 0.00 O ATOM 0 H GLY A 226 18.266 -4.718 12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 226 18.966 -6.021 15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 226 19.376 -4.353 15.410 1.00 0.00 H new ATOM 643 N VAL A 227 16.727 -3.707 14.404 1.00 0.00 N ATOM 644 CA VAL A 227 15.333 -3.327 14.606 1.00 0.00 C ATOM 645 C VAL A 227 14.442 -4.557 14.735 1.00 0.00 C ATOM 646 O VAL A 227 13.388 -4.508 15.368 1.00 0.00 O ATOM 647 CB VAL A 227 14.817 -2.451 13.449 1.00 0.00 C ATOM 648 CG1 VAL A 227 14.801 -3.239 12.148 1.00 0.00 C ATOM 649 CG2 VAL A 227 13.433 -1.908 13.769 1.00 0.00 C ATOM 0 H VAL A 227 17.217 -3.156 13.699 1.00 0.00 H new ATOM 0 HA VAL A 227 15.292 -2.753 15.532 1.00 0.00 H new ATOM 0 HB VAL A 227 15.495 -1.606 13.326 1.00 0.00 H new ATOM 0 HG11 VAL A 227 14.434 -2.604 11.342 1.00 0.00 H new ATOM 0 HG12 VAL A 227 15.811 -3.575 11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.147 -4.104 12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.084 -1.291 12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 227 12.743 -2.738 13.920 1.00 0.00 H new ATOM 0 HG23 VAL A 227 13.479 -1.305 14.676 1.00 0.00 H new ATOM 659 N GLY A 228 14.873 -5.660 14.131 1.00 0.00 N ATOM 660 CA GLY A 228 14.102 -6.888 14.191 1.00 0.00 C ATOM 661 C GLY A 228 12.943 -6.893 13.213 1.00 0.00 C ATOM 662 O GLY A 228 12.920 -7.683 12.269 1.00 0.00 O ATOM 0 H GLY A 228 15.742 -5.725 13.601 1.00 0.00 H new ATOM 0 HA2 GLY A 228 14.755 -7.734 13.980 1.00 0.00 H new ATOM 0 HA3 GLY A 228 13.720 -7.025 15.203 1.00 0.00 H new ATOM 666 N THR A 229 11.976 -6.009 13.439 1.00 0.00 N ATOM 667 CA THR A 229 10.807 -5.917 12.573 1.00 0.00 C ATOM 668 C THR A 229 10.317 -4.478 12.463 1.00 0.00 C ATOM 669 O THR A 229 10.414 -3.703 13.415 1.00 0.00 O ATOM 670 CB THR A 229 9.656 -6.801 13.087 1.00 0.00 C ATOM 671 OG1 THR A 229 9.456 -6.581 14.488 1.00 0.00 O ATOM 672 CG2 THR A 229 9.950 -8.273 12.837 1.00 0.00 C ATOM 0 H THR A 229 11.979 -5.347 14.215 1.00 0.00 H new ATOM 0 HA THR A 229 11.114 -6.270 11.589 1.00 0.00 H new ATOM 0 HB THR A 229 8.750 -6.530 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 229 8.721 -7.146 14.806 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.123 -8.878 13.209 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.072 -8.443 11.767 1.00 0.00 H new ATOM 0 HG23 THR A 229 10.866 -8.554 13.356 1.00 0.00 H new ATOM 680 N VAL A 230 9.789 -4.125 11.295 1.00 0.00 N ATOM 681 CA VAL A 230 9.282 -2.778 11.061 1.00 0.00 C ATOM 682 C VAL A 230 8.273 -2.762 9.918 1.00 0.00 C ATOM 683 O VAL A 230 8.491 -3.379 8.876 1.00 0.00 O ATOM 684 CB VAL A 230 10.423 -1.796 10.738 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.109 -2.184 9.437 1.00 0.00 C ATOM 686 CG2 VAL A 230 9.896 -0.371 10.669 1.00 0.00 C ATOM 0 H VAL A 230 9.701 -4.753 10.496 1.00 0.00 H new ATOM 0 HA VAL A 230 8.790 -2.461 11.981 1.00 0.00 H new ATOM 0 HB VAL A 230 11.161 -1.847 11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 230 11.913 -1.479 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.523 -3.188 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.384 -2.163 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.716 0.310 10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.138 -0.301 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.456 -0.099 11.628 1.00 0.00 H new ATOM 696 N ALA A 231 7.169 -2.051 10.121 1.00 0.00 N ATOM 697 CA ALA A 231 6.127 -1.952 9.106 1.00 0.00 C ATOM 698 C ALA A 231 6.729 -1.887 7.706 1.00 0.00 C ATOM 699 O ALA A 231 7.767 -1.260 7.496 1.00 0.00 O ATOM 700 CB ALA A 231 5.253 -0.734 9.364 1.00 0.00 C ATOM 0 H ALA A 231 6.973 -1.535 10.979 1.00 0.00 H new ATOM 0 HA ALA A 231 5.509 -2.848 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.479 -0.673 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.787 -0.822 10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.866 0.167 9.333 1.00 0.00 H new ATOM 706 N ARG A 232 6.070 -2.538 6.753 1.00 0.00 N ATOM 707 CA ARG A 232 6.542 -2.555 5.374 1.00 0.00 C ATOM 708 C ARG A 232 6.707 -1.136 4.838 1.00 0.00 C ATOM 709 O ARG A 232 7.681 -0.831 4.151 1.00 0.00 O ATOM 710 CB ARG A 232 5.568 -3.335 4.489 1.00 0.00 C ATOM 711 CG ARG A 232 5.974 -3.376 3.025 1.00 0.00 C ATOM 712 CD ARG A 232 4.959 -4.136 2.186 1.00 0.00 C ATOM 713 NE ARG A 232 3.903 -3.262 1.680 1.00 0.00 N ATOM 714 CZ ARG A 232 4.058 -2.447 0.643 1.00 0.00 C ATOM 715 NH1 ARG A 232 5.218 -2.394 0.004 1.00 0.00 N ATOM 716 NH2 ARG A 232 3.050 -1.682 0.242 1.00 0.00 N ATOM 0 H ARG A 232 5.208 -3.060 6.911 1.00 0.00 H new ATOM 0 HA ARG A 232 7.514 -3.048 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.488 -4.355 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.578 -2.887 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.073 -2.359 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.952 -3.848 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 232 5.466 -4.614 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.515 -4.931 2.786 1.00 0.00 H new ATOM 0 HE ARG A 232 2.997 -3.279 2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 232 5.995 -2.980 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 232 5.334 -1.767 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 232 2.155 -1.720 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 232 3.170 -1.056 -0.555 1.00 0.00 H new ATOM 730 N GLU A 233 5.747 -0.273 5.157 1.00 0.00 N ATOM 731 CA GLU A 233 5.786 1.114 4.706 1.00 0.00 C ATOM 732 C GLU A 233 6.790 1.923 5.522 1.00 0.00 C ATOM 733 O GLU A 233 7.113 3.060 5.178 1.00 0.00 O ATOM 734 CB GLU A 233 4.398 1.747 4.813 1.00 0.00 C ATOM 735 CG GLU A 233 3.984 2.072 6.238 1.00 0.00 C ATOM 736 CD GLU A 233 3.222 0.939 6.897 1.00 0.00 C ATOM 737 OE1 GLU A 233 3.427 -0.226 6.496 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.420 1.217 7.813 1.00 0.00 O ATOM 0 H GLU A 233 4.934 -0.509 5.725 1.00 0.00 H new ATOM 0 HA GLU A 233 6.102 1.121 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.379 2.662 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.664 1.069 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 233 4.872 2.299 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 233 3.365 2.969 6.237 1.00 0.00 H new ATOM 745 N ASP A 234 7.280 1.328 6.604 1.00 0.00 N ATOM 746 CA ASP A 234 8.248 1.992 7.470 1.00 0.00 C ATOM 747 C ASP A 234 9.670 1.564 7.123 1.00 0.00 C ATOM 748 O ASP A 234 10.641 2.185 7.560 1.00 0.00 O ATOM 749 CB ASP A 234 7.951 1.679 8.937 1.00 0.00 C ATOM 750 CG ASP A 234 6.880 2.583 9.517 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.750 3.730 9.041 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.172 2.142 10.446 1.00 0.00 O ATOM 0 H ASP A 234 7.023 0.387 6.903 1.00 0.00 H new ATOM 0 HA ASP A 234 8.163 3.067 7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.633 0.640 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.866 1.784 9.520 1.00 0.00 H new ATOM 757 N LEU A 235 9.787 0.500 6.336 1.00 0.00 N ATOM 758 CA LEU A 235 11.092 -0.012 5.931 1.00 0.00 C ATOM 759 C LEU A 235 11.842 1.015 5.089 1.00 0.00 C ATOM 760 O LEU A 235 13.034 1.258 5.278 1.00 0.00 O ATOM 761 CB LEU A 235 10.929 -1.313 5.145 1.00 0.00 C ATOM 762 CG LEU A 235 12.074 -2.319 5.266 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.222 -2.789 6.705 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.846 -3.502 4.337 1.00 0.00 C ATOM 0 H LEU A 235 8.995 -0.025 5.966 1.00 0.00 H new ATOM 0 HA LEU A 235 11.673 -0.210 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.010 -1.799 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.801 -1.064 4.092 1.00 0.00 H new ATOM 0 HG LEU A 235 12.999 -1.824 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.042 -3.504 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.434 -1.934 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.297 -3.266 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.671 -4.207 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.911 -3.997 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.792 -3.150 3.307 1.00 0.00 H new ATOM 776 N PRO A 236 11.129 1.634 4.136 1.00 0.00 N ATOM 777 CA PRO A 236 11.706 2.646 3.247 1.00 0.00 C ATOM 778 C PRO A 236 12.508 3.697 4.008 1.00 0.00 C ATOM 779 O PRO A 236 13.721 3.809 3.838 1.00 0.00 O ATOM 780 CB PRO A 236 10.479 3.282 2.590 1.00 0.00 C ATOM 781 CG PRO A 236 9.432 2.224 2.638 1.00 0.00 C ATOM 782 CD PRO A 236 9.704 1.393 3.854 1.00 0.00 C ATOM 0 HA PRO A 236 12.409 2.211 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.162 4.177 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.691 3.583 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.438 2.668 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.462 1.611 1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.075 1.693 4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.506 0.337 3.669 1.00 0.00 H new ATOM 790 N GLY A 237 11.821 4.465 4.848 1.00 0.00 N ATOM 791 CA GLY A 237 12.486 5.496 5.623 1.00 0.00 C ATOM 792 C GLY A 237 13.549 4.933 6.546 1.00 0.00 C ATOM 793 O GLY A 237 14.538 5.603 6.847 1.00 0.00 O ATOM 0 H GLY A 237 10.816 4.392 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.943 6.218 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.746 6.037 6.213 1.00 0.00 H new ATOM 797 N HIS A 238 13.344 3.700 6.999 1.00 0.00 N ATOM 798 CA HIS A 238 14.293 3.048 7.895 1.00 0.00 C ATOM 799 C HIS A 238 15.605 2.753 7.175 1.00 0.00 C ATOM 800 O HIS A 238 16.688 2.991 7.713 1.00 0.00 O ATOM 801 CB HIS A 238 13.697 1.752 8.446 1.00 0.00 C ATOM 802 CG HIS A 238 14.729 0.749 8.862 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.154 0.604 10.166 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.419 -0.163 8.139 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.063 -0.353 10.226 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.242 -0.835 9.009 1.00 0.00 N ATOM 0 H HIS A 238 12.530 3.133 6.761 1.00 0.00 H new ATOM 0 HA HIS A 238 14.499 3.726 8.723 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.065 1.987 9.302 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.053 1.306 7.688 1.00 0.00 H new ATOM 0 HD1 HIS A 238 14.819 1.150 10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.338 -0.331 7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.573 -0.685 11.118 1.00 0.00 H new ATOM 814 N LEU A 239 15.502 2.234 5.957 1.00 0.00 N ATOM 815 CA LEU A 239 16.681 1.905 5.163 1.00 0.00 C ATOM 816 C LEU A 239 17.482 3.161 4.832 1.00 0.00 C ATOM 817 O LEU A 239 18.643 3.082 4.430 1.00 0.00 O ATOM 818 CB LEU A 239 16.270 1.194 3.873 1.00 0.00 C ATOM 819 CG LEU A 239 15.877 -0.277 4.013 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.324 -0.810 2.701 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.069 -1.106 4.468 1.00 0.00 C ATOM 0 H LEU A 239 14.614 2.032 5.497 1.00 0.00 H new ATOM 0 HA LEU A 239 17.311 1.239 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.430 1.734 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.096 1.263 3.165 1.00 0.00 H new ATOM 0 HG LEU A 239 15.096 -0.354 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.050 -1.858 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.443 -0.235 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 239 16.082 -0.720 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.771 -2.150 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.871 -1.022 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.420 -0.740 5.433 1.00 0.00 H new ATOM 833 N LYS A 240 16.854 4.319 5.004 1.00 0.00 N ATOM 834 CA LYS A 240 17.508 5.593 4.728 1.00 0.00 C ATOM 835 C LYS A 240 18.665 5.832 5.692 1.00 0.00 C ATOM 836 O LYS A 240 19.828 5.853 5.289 1.00 0.00 O ATOM 837 CB LYS A 240 16.499 6.740 4.830 1.00 0.00 C ATOM 838 CG LYS A 240 17.092 8.101 4.507 1.00 0.00 C ATOM 839 CD LYS A 240 16.028 9.186 4.506 1.00 0.00 C ATOM 840 CE LYS A 240 16.497 10.426 3.762 1.00 0.00 C ATOM 841 NZ LYS A 240 17.351 11.296 4.617 1.00 0.00 N ATOM 0 H LYS A 240 15.892 4.402 5.333 1.00 0.00 H new ATOM 0 HA LYS A 240 17.906 5.556 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.669 6.544 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.087 6.762 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.862 8.346 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.578 8.065 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 240 15.118 8.805 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.776 9.450 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 240 17.056 10.128 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.631 10.992 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 17.650 12.131 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.810 11.602 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 18.190 10.764 4.925 1.00 0.00 H new ATOM 855 N ASP A 241 18.338 6.009 6.968 1.00 0.00 N ATOM 856 CA ASP A 241 19.351 6.244 7.991 1.00 0.00 C ATOM 857 C ASP A 241 19.229 5.225 9.120 1.00 0.00 C ATOM 858 O ASP A 241 20.224 4.654 9.564 1.00 0.00 O ATOM 859 CB ASP A 241 19.223 7.661 8.550 1.00 0.00 C ATOM 860 CG ASP A 241 20.548 8.213 9.038 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.074 7.690 10.044 1.00 0.00 O ATOM 862 OD2 ASP A 241 21.060 9.166 8.415 1.00 0.00 O ATOM 0 H ASP A 241 17.380 5.994 7.318 1.00 0.00 H new ATOM 0 HA ASP A 241 20.332 6.132 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.821 8.318 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.508 7.661 9.373 1.00 0.00 H new ATOM 867 N SER A 242 18.001 5.004 9.581 1.00 0.00 N ATOM 868 CA SER A 242 17.749 4.059 10.662 1.00 0.00 C ATOM 869 C SER A 242 18.700 2.869 10.575 1.00 0.00 C ATOM 870 O SER A 242 19.592 2.710 11.409 1.00 0.00 O ATOM 871 CB SER A 242 16.300 3.572 10.614 1.00 0.00 C ATOM 872 OG SER A 242 15.856 3.165 11.897 1.00 0.00 O ATOM 0 H SER A 242 17.166 5.467 9.222 1.00 0.00 H new ATOM 0 HA SER A 242 17.921 4.572 11.608 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.657 4.369 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.216 2.739 9.916 1.00 0.00 H new ATOM 0 HG SER A 242 14.888 3.012 11.875 1.00 0.00 H new ATOM 878 N CYS A 243 18.503 2.034 9.561 1.00 0.00 N ATOM 879 CA CYS A 243 19.341 0.858 9.363 1.00 0.00 C ATOM 880 C CYS A 243 20.818 1.210 9.517 1.00 0.00 C ATOM 881 O CYS A 243 21.197 2.379 9.460 1.00 0.00 O ATOM 882 CB CYS A 243 19.091 0.254 7.980 1.00 0.00 C ATOM 883 SG CYS A 243 19.521 -1.512 7.851 1.00 0.00 S ATOM 0 H CYS A 243 17.769 2.150 8.862 1.00 0.00 H new ATOM 0 HA CYS A 243 19.079 0.124 10.125 1.00 0.00 H new ATOM 0 HB2 CYS A 243 18.039 0.380 7.725 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.667 0.812 7.242 1.00 0.00 H new ATOM 0 HG CYS A 243 19.010 -2.158 8.857 1.00 0.00 H new