USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 321 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 299 CYS SG : rot 171:sc= -2.32! USER MOD Set 1.2: A 302 CYS SG : rot -50:sc= -0.996 USER MOD Set 1.3: A 319 HIS : no HD1:sc= 0.451 K(o=-5.5,f=-10!) USER MOD Set 1.4: A 322 CYS SG : rot 180:sc= -2.68! USER MOD Set 2.1: A 311 CYS SG : rot 16:sc= 0.588! USER MOD Set 2.2: A 314 CYS SG : rot -47:sc= -0.392! USER MOD Set 2.3: A 337 CYS SG : rot -126:sc= 0.886 USER MOD Set 2.4: A 340 CYS SG : rot 74:sc= 0.934 USER MOD Single : A 295 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 310 CYS SG : rot 180:sc=-0.00823 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 40:sc= 0.07 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.623 -1.411 -0.647 1.00 0.00 N ATOM 86 CA ASN A 295 -5.373 -0.710 -0.409 1.00 0.00 C ATOM 87 C ASN A 295 -5.655 0.538 0.400 1.00 0.00 C ATOM 88 O ASN A 295 -6.687 1.182 0.205 1.00 0.00 O ATOM 89 CB ASN A 295 -4.694 -0.306 -1.718 1.00 0.00 C ATOM 90 CG ASN A 295 -4.728 -1.395 -2.769 1.00 0.00 C ATOM 91 OD1 ASN A 295 -3.880 -2.287 -2.783 1.00 0.00 O ATOM 92 ND2 ASN A 295 -5.692 -1.310 -3.662 1.00 0.00 N ATOM 0 HA ASN A 295 -4.705 -1.382 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -5.181 0.586 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -3.657 -0.039 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -5.759 -2.003 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.372 -0.551 -3.608 1.00 0.00 H new ATOM 99 N GLU A 296 -4.757 0.879 1.306 1.00 0.00 N ATOM 100 CA GLU A 296 -4.914 2.090 2.095 1.00 0.00 C ATOM 101 C GLU A 296 -4.587 3.299 1.235 1.00 0.00 C ATOM 102 O GLU A 296 -3.570 3.315 0.541 1.00 0.00 O ATOM 103 CB GLU A 296 -4.012 2.064 3.330 1.00 0.00 C ATOM 104 CG GLU A 296 -4.272 0.881 4.257 1.00 0.00 C ATOM 105 CD GLU A 296 -5.723 0.775 4.671 1.00 0.00 C ATOM 106 OE1 GLU A 296 -6.164 1.563 5.528 1.00 0.00 O ATOM 107 OE2 GLU A 296 -6.429 -0.108 4.150 1.00 0.00 O ATOM 0 H GLU A 296 -3.917 0.340 1.514 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.947 2.151 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.971 2.039 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -4.151 2.989 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.972 -0.040 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.650 0.978 5.147 1.00 0.00 H new ATOM 114 N ASP A 297 -5.441 4.309 1.283 1.00 0.00 N ATOM 115 CA ASP A 297 -5.268 5.505 0.465 1.00 0.00 C ATOM 116 C ASP A 297 -4.251 6.455 1.090 1.00 0.00 C ATOM 117 O ASP A 297 -4.344 7.675 0.944 1.00 0.00 O ATOM 118 CB ASP A 297 -6.610 6.215 0.255 1.00 0.00 C ATOM 119 CG ASP A 297 -7.153 6.861 1.515 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.641 6.131 2.403 1.00 0.00 O ATOM 121 OD2 ASP A 297 -7.110 8.105 1.613 1.00 0.00 O ATOM 0 H ASP A 297 -6.266 4.327 1.882 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.886 5.194 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.492 6.978 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -7.339 5.496 -0.119 1.00 0.00 H new ATOM 126 N GLU A 298 -3.257 5.892 1.765 1.00 0.00 N ATOM 127 CA GLU A 298 -2.269 6.678 2.479 1.00 0.00 C ATOM 128 C GLU A 298 -0.879 6.179 2.119 1.00 0.00 C ATOM 129 O GLU A 298 -0.627 4.974 2.122 1.00 0.00 O ATOM 130 CB GLU A 298 -2.469 6.560 3.990 1.00 0.00 C ATOM 131 CG GLU A 298 -3.889 6.806 4.458 1.00 0.00 C ATOM 132 CD GLU A 298 -4.035 6.572 5.942 1.00 0.00 C ATOM 133 OE1 GLU A 298 -4.056 5.396 6.358 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.107 7.560 6.695 1.00 0.00 O ATOM 0 H GLU A 298 -3.117 4.884 1.831 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.382 7.724 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.163 5.563 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.808 7.270 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.178 7.830 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.570 6.149 3.917 1.00 0.00 H new ATOM 141 N CYS A 299 0.011 7.097 1.809 1.00 0.00 N ATOM 142 CA CYS A 299 1.398 6.755 1.550 1.00 0.00 C ATOM 143 C CYS A 299 2.070 6.323 2.847 1.00 0.00 C ATOM 144 O CYS A 299 2.202 7.120 3.781 1.00 0.00 O ATOM 145 CB CYS A 299 2.149 7.939 0.935 1.00 0.00 C ATOM 146 SG CYS A 299 3.932 7.646 0.687 1.00 0.00 S ATOM 0 H CYS A 299 -0.200 8.092 1.729 1.00 0.00 H new ATOM 0 HA CYS A 299 1.425 5.931 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.695 8.183 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 299 2.021 8.810 1.578 1.00 0.00 H new ATOM 0 HG CYS A 299 4.438 8.616 -0.015 1.00 0.00 H new ATOM 151 N ALA A 300 2.473 5.052 2.914 1.00 0.00 N ATOM 152 CA ALA A 300 3.166 4.490 4.095 1.00 0.00 C ATOM 153 C ALA A 300 4.554 5.111 4.320 1.00 0.00 C ATOM 154 O ALA A 300 5.484 4.443 4.780 1.00 0.00 O ATOM 155 CB ALA A 300 3.274 2.979 3.956 1.00 0.00 C ATOM 0 H ALA A 300 2.333 4.380 2.160 1.00 0.00 H new ATOM 0 HA ALA A 300 2.569 4.738 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.785 2.569 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.275 2.548 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.839 2.736 3.056 1.00 0.00 H new ATOM 161 N VAL A 301 4.676 6.384 3.986 1.00 0.00 N ATOM 162 CA VAL A 301 5.878 7.156 4.253 1.00 0.00 C ATOM 163 C VAL A 301 5.516 8.449 4.977 1.00 0.00 C ATOM 164 O VAL A 301 6.039 8.744 6.054 1.00 0.00 O ATOM 165 CB VAL A 301 6.650 7.496 2.957 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.905 8.299 3.269 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.008 6.235 2.186 1.00 0.00 C ATOM 0 H VAL A 301 3.940 6.914 3.519 1.00 0.00 H new ATOM 0 HA VAL A 301 6.525 6.542 4.879 1.00 0.00 H new ATOM 0 HB VAL A 301 5.996 8.104 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.431 8.526 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.628 9.229 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.556 7.718 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.550 6.504 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.635 5.595 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.096 5.701 1.918 1.00 0.00 H new ATOM 177 N CYS A 302 4.601 9.209 4.387 1.00 0.00 N ATOM 178 CA CYS A 302 4.222 10.509 4.922 1.00 0.00 C ATOM 179 C CYS A 302 2.761 10.548 5.375 1.00 0.00 C ATOM 180 O CYS A 302 2.288 11.576 5.852 1.00 0.00 O ATOM 181 CB CYS A 302 4.477 11.586 3.870 1.00 0.00 C ATOM 182 SG CYS A 302 3.721 11.210 2.258 1.00 0.00 S ATOM 0 H CYS A 302 4.107 8.945 3.535 1.00 0.00 H new ATOM 0 HA CYS A 302 4.834 10.697 5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.089 12.538 4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.552 11.709 3.739 1.00 0.00 H new ATOM 0 HG CYS A 302 4.039 10.001 1.901 1.00 0.00 H new ATOM 187 N ARG A 303 2.052 9.427 5.216 1.00 0.00 N ATOM 188 CA ARG A 303 0.624 9.330 5.564 1.00 0.00 C ATOM 189 C ARG A 303 -0.259 10.200 4.666 1.00 0.00 C ATOM 190 O ARG A 303 -1.473 10.270 4.866 1.00 0.00 O ATOM 191 CB ARG A 303 0.383 9.692 7.032 1.00 0.00 C ATOM 192 CG ARG A 303 0.938 8.678 8.018 1.00 0.00 C ATOM 193 CD ARG A 303 0.628 9.090 9.441 1.00 0.00 C ATOM 194 NE ARG A 303 1.029 8.081 10.410 1.00 0.00 N ATOM 195 CZ ARG A 303 1.112 8.308 11.723 1.00 0.00 C ATOM 196 NH1 ARG A 303 0.901 9.533 12.200 1.00 0.00 N ATOM 197 NH2 ARG A 303 1.438 7.320 12.549 1.00 0.00 N ATOM 0 H ARG A 303 2.446 8.563 4.844 1.00 0.00 H new ATOM 0 HA ARG A 303 0.343 8.289 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.833 10.664 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.689 9.796 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 303 0.510 7.696 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.016 8.588 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.138 10.027 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -0.441 9.278 9.537 1.00 0.00 H new ATOM 0 HE ARG A 303 1.259 7.148 10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 303 0.676 10.297 11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 303 0.964 9.708 13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 303 1.625 6.388 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 303 1.501 7.494 13.552 1.00 0.00 H new ATOM 211 N ASP A 304 0.337 10.852 3.676 1.00 0.00 N ATOM 212 CA ASP A 304 -0.425 11.684 2.742 1.00 0.00 C ATOM 213 C ASP A 304 -1.000 10.828 1.627 1.00 0.00 C ATOM 214 O ASP A 304 -0.537 9.711 1.389 1.00 0.00 O ATOM 215 CB ASP A 304 0.457 12.785 2.138 1.00 0.00 C ATOM 216 CG ASP A 304 0.762 13.914 3.096 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.132 14.746 3.364 1.00 0.00 O ATOM 218 OD2 ASP A 304 1.911 13.994 3.576 1.00 0.00 O ATOM 0 H ASP A 304 1.341 10.824 3.496 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.237 12.153 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.395 12.343 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.038 13.192 1.257 1.00 0.00 H new ATOM 223 N GLY A 305 -2.006 11.349 0.951 1.00 0.00 N ATOM 224 CA GLY A 305 -2.626 10.625 -0.133 1.00 0.00 C ATOM 225 C GLY A 305 -2.588 11.407 -1.419 1.00 0.00 C ATOM 226 O GLY A 305 -1.594 12.074 -1.717 1.00 0.00 O ATOM 0 H GLY A 305 -2.408 12.268 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.117 9.671 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.661 10.399 0.125 1.00 0.00 H new ATOM 230 N GLY A 306 -3.665 11.339 -2.193 1.00 0.00 N ATOM 231 CA GLY A 306 -3.714 12.038 -3.461 1.00 0.00 C ATOM 232 C GLY A 306 -3.223 11.176 -4.601 1.00 0.00 C ATOM 233 O GLY A 306 -3.857 10.177 -4.947 1.00 0.00 O ATOM 0 H GLY A 306 -4.507 10.811 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.737 12.355 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -3.106 12.941 -3.401 1.00 0.00 H new ATOM 237 N GLU A 307 -2.085 11.541 -5.167 1.00 0.00 N ATOM 238 CA GLU A 307 -1.509 10.794 -6.277 1.00 0.00 C ATOM 239 C GLU A 307 -0.682 9.640 -5.728 1.00 0.00 C ATOM 240 O GLU A 307 0.451 9.832 -5.285 1.00 0.00 O ATOM 241 CB GLU A 307 -0.647 11.716 -7.146 1.00 0.00 C ATOM 242 CG GLU A 307 -0.051 11.040 -8.371 1.00 0.00 C ATOM 243 CD GLU A 307 0.652 12.022 -9.283 1.00 0.00 C ATOM 244 OE1 GLU A 307 -0.016 12.599 -10.162 1.00 0.00 O ATOM 245 OE2 GLU A 307 1.870 12.232 -9.118 1.00 0.00 O ATOM 0 H GLU A 307 -1.539 12.352 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.308 10.393 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 307 -1.253 12.562 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.162 12.119 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 307 0.655 10.273 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -0.842 10.535 -8.925 1.00 0.00 H new ATOM 252 N LEU A 308 -1.257 8.449 -5.744 1.00 0.00 N ATOM 253 CA LEU A 308 -0.646 7.303 -5.097 1.00 0.00 C ATOM 254 C LEU A 308 -0.478 6.132 -6.045 1.00 0.00 C ATOM 255 O LEU A 308 -1.235 5.972 -7.006 1.00 0.00 O ATOM 256 CB LEU A 308 -1.488 6.859 -3.895 1.00 0.00 C ATOM 257 CG LEU A 308 -1.566 7.854 -2.742 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.531 7.351 -1.681 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.189 8.081 -2.135 1.00 0.00 C ATOM 0 H LEU A 308 -2.148 8.252 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 308 0.344 7.617 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.501 6.650 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.081 5.922 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.932 8.805 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.579 8.069 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.523 7.232 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.185 6.390 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.266 8.794 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.203 7.136 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.484 8.476 -2.896 1.00 0.00 H new ATOM 271 N ILE A 309 0.511 5.310 -5.761 1.00 0.00 N ATOM 272 CA ILE A 309 0.704 4.066 -6.466 1.00 0.00 C ATOM 273 C ILE A 309 0.636 2.909 -5.472 1.00 0.00 C ATOM 274 O ILE A 309 1.468 2.808 -4.565 1.00 0.00 O ATOM 275 CB ILE A 309 2.041 4.046 -7.252 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.273 2.665 -7.874 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.212 4.444 -6.364 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.534 2.574 -8.708 1.00 0.00 C ATOM 0 H ILE A 309 1.203 5.489 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.092 3.959 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 309 1.972 4.781 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.321 1.922 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.417 2.409 -8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.134 4.420 -6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.051 5.451 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.290 3.746 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.629 1.567 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.482 3.292 -9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.400 2.797 -8.084 1.00 0.00 H new ATOM 290 N CYS A 310 -0.388 2.078 -5.596 1.00 0.00 N ATOM 291 CA CYS A 310 -0.569 0.962 -4.674 1.00 0.00 C ATOM 292 C CYS A 310 0.089 -0.285 -5.240 1.00 0.00 C ATOM 293 O CYS A 310 -0.101 -0.622 -6.414 1.00 0.00 O ATOM 294 CB CYS A 310 -2.065 0.718 -4.456 1.00 0.00 C ATOM 295 SG CYS A 310 -2.983 2.185 -3.933 1.00 0.00 S ATOM 0 H CYS A 310 -1.103 2.152 -6.320 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.103 1.201 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.500 0.341 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.189 -0.062 -3.705 1.00 0.00 H new ATOM 0 HG CYS A 310 -4.237 1.879 -3.777 1.00 0.00 H new ATOM 301 N CYS A 311 0.883 -0.949 -4.414 1.00 0.00 N ATOM 302 CA CYS A 311 1.574 -2.161 -4.828 1.00 0.00 C ATOM 303 C CYS A 311 0.584 -3.274 -5.170 1.00 0.00 C ATOM 304 O CYS A 311 -0.503 -3.362 -4.601 1.00 0.00 O ATOM 305 CB CYS A 311 2.516 -2.615 -3.711 1.00 0.00 C ATOM 306 SG CYS A 311 3.521 -4.082 -4.121 1.00 0.00 S ATOM 0 H CYS A 311 1.065 -0.668 -3.450 1.00 0.00 H new ATOM 0 HA CYS A 311 2.150 -1.943 -5.727 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.184 -1.791 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.926 -2.831 -2.820 1.00 0.00 H new ATOM 0 HG CYS A 311 3.494 -4.281 -5.405 1.00 0.00 H new ATOM 311 N ASP A 312 0.976 -4.117 -6.114 1.00 0.00 N ATOM 312 CA ASP A 312 0.125 -5.210 -6.568 1.00 0.00 C ATOM 313 C ASP A 312 0.347 -6.456 -5.716 1.00 0.00 C ATOM 314 O ASP A 312 -0.331 -7.467 -5.901 1.00 0.00 O ATOM 315 CB ASP A 312 0.383 -5.527 -8.035 1.00 0.00 C ATOM 316 CG ASP A 312 -0.146 -4.447 -8.958 1.00 0.00 C ATOM 317 OD1 ASP A 312 -1.330 -4.522 -9.347 1.00 0.00 O ATOM 318 OD2 ASP A 312 0.623 -3.527 -9.307 1.00 0.00 O ATOM 0 H ASP A 312 1.881 -4.066 -6.582 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.912 -4.893 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.454 -5.647 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -0.085 -6.479 -8.287 1.00 0.00 H new ATOM 323 N GLY A 313 1.314 -6.384 -4.820 1.00 0.00 N ATOM 324 CA GLY A 313 1.559 -7.487 -3.909 1.00 0.00 C ATOM 325 C GLY A 313 1.095 -7.178 -2.503 1.00 0.00 C ATOM 326 O GLY A 313 0.524 -8.033 -1.822 1.00 0.00 O ATOM 0 H GLY A 313 1.936 -5.584 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.046 -8.377 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.625 -7.716 -3.896 1.00 0.00 H new ATOM 330 N CYS A 314 1.348 -5.953 -2.058 1.00 0.00 N ATOM 331 CA CYS A 314 0.967 -5.524 -0.716 1.00 0.00 C ATOM 332 C CYS A 314 -0.002 -4.349 -0.819 1.00 0.00 C ATOM 333 O CYS A 314 0.043 -3.604 -1.795 1.00 0.00 O ATOM 334 CB CYS A 314 2.203 -5.136 0.098 1.00 0.00 C ATOM 335 SG CYS A 314 3.208 -3.810 -0.638 1.00 0.00 S ATOM 0 H CYS A 314 1.818 -5.235 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 314 0.476 -6.350 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 314 1.884 -4.823 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.829 -6.019 0.227 1.00 0.00 H new ATOM 0 HG CYS A 314 3.401 -4.061 -1.899 1.00 0.00 H new ATOM 340 N PRO A 315 -0.877 -4.149 0.186 1.00 0.00 N ATOM 341 CA PRO A 315 -1.848 -3.041 0.187 1.00 0.00 C ATOM 342 C PRO A 315 -1.198 -1.694 0.518 1.00 0.00 C ATOM 343 O PRO A 315 -1.880 -0.708 0.815 1.00 0.00 O ATOM 344 CB PRO A 315 -2.845 -3.428 1.291 1.00 0.00 C ATOM 345 CG PRO A 315 -2.461 -4.804 1.733 1.00 0.00 C ATOM 346 CD PRO A 315 -1.014 -4.979 1.379 1.00 0.00 C ATOM 0 HA PRO A 315 -2.305 -2.910 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.798 -2.724 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.868 -3.411 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.615 -4.924 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -3.075 -5.556 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.357 -4.646 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.769 -6.022 1.178 1.00 0.00 H new ATOM 354 N ARG A 316 0.126 -1.683 0.492 1.00 0.00 N ATOM 355 CA ARG A 316 0.904 -0.477 0.732 1.00 0.00 C ATOM 356 C ARG A 316 0.798 0.499 -0.433 1.00 0.00 C ATOM 357 O ARG A 316 0.998 0.125 -1.594 1.00 0.00 O ATOM 358 CB ARG A 316 2.373 -0.838 0.970 1.00 0.00 C ATOM 359 CG ARG A 316 2.635 -1.603 2.259 1.00 0.00 C ATOM 360 CD ARG A 316 2.402 -0.733 3.480 1.00 0.00 C ATOM 361 NE ARG A 316 2.665 -1.452 4.722 1.00 0.00 N ATOM 362 CZ ARG A 316 1.978 -1.278 5.855 1.00 0.00 C ATOM 363 NH1 ARG A 316 0.915 -0.482 5.876 1.00 0.00 N ATOM 364 NH2 ARG A 316 2.331 -1.927 6.959 1.00 0.00 N ATOM 0 H ARG A 316 0.692 -2.511 0.304 1.00 0.00 H new ATOM 0 HA ARG A 316 0.497 0.009 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.728 -1.435 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.962 0.079 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.984 -2.476 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 316 3.661 -1.970 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.045 0.146 3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 316 1.372 -0.375 3.479 1.00 0.00 H new ATOM 0 HE ARG A 316 3.424 -2.133 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 316 0.621 -0.001 5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 316 0.393 -0.351 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 316 3.130 -2.561 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 316 1.804 -1.791 7.821 1.00 0.00 H new ATOM 378 N ALA A 317 0.483 1.749 -0.122 1.00 0.00 N ATOM 379 CA ALA A 317 0.457 2.806 -1.119 1.00 0.00 C ATOM 380 C ALA A 317 1.576 3.804 -0.847 1.00 0.00 C ATOM 381 O ALA A 317 1.950 4.019 0.306 1.00 0.00 O ATOM 382 CB ALA A 317 -0.894 3.505 -1.134 1.00 0.00 C ATOM 0 H ALA A 317 0.241 2.055 0.820 1.00 0.00 H new ATOM 0 HA ALA A 317 0.613 2.361 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.888 4.292 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.675 2.782 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.088 3.943 -0.155 1.00 0.00 H new ATOM 388 N PHE A 318 2.111 4.400 -1.905 1.00 0.00 N ATOM 389 CA PHE A 318 3.252 5.302 -1.780 1.00 0.00 C ATOM 390 C PHE A 318 3.190 6.407 -2.818 1.00 0.00 C ATOM 391 O PHE A 318 2.453 6.308 -3.798 1.00 0.00 O ATOM 392 CB PHE A 318 4.566 4.526 -1.955 1.00 0.00 C ATOM 393 CG PHE A 318 4.764 3.418 -0.959 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.170 3.698 0.334 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.536 2.100 -1.318 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.341 2.683 1.253 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.702 1.081 -0.406 1.00 0.00 C ATOM 398 CZ PHE A 318 5.109 1.371 0.888 1.00 0.00 C ATOM 0 H PHE A 318 1.774 4.276 -2.860 1.00 0.00 H new ATOM 0 HA PHE A 318 3.215 5.746 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.596 4.105 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.400 5.223 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.355 4.721 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.224 1.868 -2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.657 2.915 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.516 0.058 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.244 0.576 1.606 1.00 0.00 H new ATOM 408 N HIS A 319 3.960 7.466 -2.585 1.00 0.00 N ATOM 409 CA HIS A 319 4.160 8.516 -3.572 1.00 0.00 C ATOM 410 C HIS A 319 5.414 8.212 -4.376 1.00 0.00 C ATOM 411 O HIS A 319 6.375 7.660 -3.829 1.00 0.00 O ATOM 412 CB HIS A 319 4.306 9.894 -2.914 1.00 0.00 C ATOM 413 CG HIS A 319 3.049 10.445 -2.318 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.865 10.491 -0.959 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.971 10.996 -2.922 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.691 11.066 -0.773 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.113 11.391 -1.928 1.00 0.00 N ATOM 0 H HIS A 319 4.460 7.618 -1.709 1.00 0.00 H new ATOM 0 HA HIS A 319 3.284 8.542 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.063 9.829 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.677 10.598 -3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.816 11.104 -3.985 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.253 11.250 0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.208 11.845 -2.050 1.00 0.00 H new ATOM 425 N LEU A 320 5.409 8.580 -5.651 1.00 0.00 N ATOM 426 CA LEU A 320 6.482 8.209 -6.569 1.00 0.00 C ATOM 427 C LEU A 320 7.857 8.608 -6.035 1.00 0.00 C ATOM 428 O LEU A 320 8.736 7.757 -5.870 1.00 0.00 O ATOM 429 CB LEU A 320 6.249 8.848 -7.942 1.00 0.00 C ATOM 430 CG LEU A 320 4.982 8.392 -8.672 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.850 9.107 -9.999 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.000 6.883 -8.877 1.00 0.00 C ATOM 0 H LEU A 320 4.669 9.139 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 320 6.467 7.123 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.207 9.930 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.110 8.633 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 320 4.118 8.645 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.945 8.771 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.793 10.182 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.717 8.883 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.093 6.576 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.871 6.607 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.050 6.385 -7.909 1.00 0.00 H new ATOM 444 N ALA A 321 8.037 9.894 -5.746 1.00 0.00 N ATOM 445 CA ALA A 321 9.329 10.405 -5.302 1.00 0.00 C ATOM 446 C ALA A 321 9.630 10.029 -3.858 1.00 0.00 C ATOM 447 O ALA A 321 10.791 9.990 -3.448 1.00 0.00 O ATOM 448 CB ALA A 321 9.375 11.915 -5.476 1.00 0.00 C ATOM 0 H ALA A 321 7.304 10.601 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 321 10.098 9.943 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.342 12.290 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.232 12.165 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.584 12.374 -4.883 1.00 0.00 H new ATOM 454 N CYS A 322 8.591 9.752 -3.076 1.00 0.00 N ATOM 455 CA CYS A 322 8.773 9.368 -1.681 1.00 0.00 C ATOM 456 C CYS A 322 9.358 7.970 -1.586 1.00 0.00 C ATOM 457 O CYS A 322 9.928 7.591 -0.557 1.00 0.00 O ATOM 458 CB CYS A 322 7.451 9.441 -0.916 1.00 0.00 C ATOM 459 SG CYS A 322 6.700 11.100 -0.892 1.00 0.00 S ATOM 0 H CYS A 322 7.619 9.786 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 322 9.470 10.072 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.745 8.740 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.618 9.114 0.110 1.00 0.00 H new ATOM 0 HG CYS A 322 5.585 11.062 -0.224 1.00 0.00 H new ATOM 464 N LEU A 323 9.208 7.203 -2.654 1.00 0.00 N ATOM 465 CA LEU A 323 9.788 5.870 -2.733 1.00 0.00 C ATOM 466 C LEU A 323 11.309 5.928 -2.793 1.00 0.00 C ATOM 467 O LEU A 323 11.891 6.940 -3.188 1.00 0.00 O ATOM 468 CB LEU A 323 9.261 5.146 -3.965 1.00 0.00 C ATOM 469 CG LEU A 323 7.812 4.680 -3.875 1.00 0.00 C ATOM 470 CD1 LEU A 323 7.289 4.278 -5.245 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.707 3.516 -2.912 1.00 0.00 C ATOM 0 H LEU A 323 8.686 7.483 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 323 9.500 5.328 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.360 5.808 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.893 4.279 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 323 7.203 5.505 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 323 6.254 3.949 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 323 7.342 5.132 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.896 3.464 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.670 3.187 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.329 2.694 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 323 8.047 3.829 -1.925 1.00 0.00 H new ATOM 483 N SER A 324 11.943 4.847 -2.374 1.00 0.00 N ATOM 484 CA SER A 324 13.379 4.689 -2.516 1.00 0.00 C ATOM 485 C SER A 324 13.683 3.313 -3.110 1.00 0.00 C ATOM 486 O SER A 324 13.417 2.292 -2.473 1.00 0.00 O ATOM 487 CB SER A 324 14.063 4.826 -1.152 1.00 0.00 C ATOM 488 OG SER A 324 13.735 6.054 -0.518 1.00 0.00 O ATOM 0 H SER A 324 11.478 4.057 -1.927 1.00 0.00 H new ATOM 0 HA SER A 324 13.760 5.465 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.766 3.996 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 324 15.144 4.760 -1.279 1.00 0.00 H new ATOM 0 HG SER A 324 14.188 6.105 0.350 1.00 0.00 H new ATOM 494 N PRO A 325 14.225 3.254 -4.340 1.00 0.00 N ATOM 495 CA PRO A 325 14.524 4.437 -5.152 1.00 0.00 C ATOM 496 C PRO A 325 13.258 5.109 -5.682 1.00 0.00 C ATOM 497 O PRO A 325 12.255 4.444 -5.943 1.00 0.00 O ATOM 498 CB PRO A 325 15.346 3.867 -6.314 1.00 0.00 C ATOM 499 CG PRO A 325 14.907 2.450 -6.425 1.00 0.00 C ATOM 500 CD PRO A 325 14.594 2.004 -5.030 1.00 0.00 C ATOM 0 HA PRO A 325 15.041 5.207 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.158 4.414 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.415 3.936 -6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.032 2.362 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.690 1.832 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.778 1.281 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.453 1.525 -4.560 1.00 0.00 H new ATOM 508 N PRO A 326 13.297 6.443 -5.838 1.00 0.00 N ATOM 509 CA PRO A 326 12.136 7.232 -6.267 1.00 0.00 C ATOM 510 C PRO A 326 11.756 6.978 -7.720 1.00 0.00 C ATOM 511 O PRO A 326 12.619 6.926 -8.601 1.00 0.00 O ATOM 512 CB PRO A 326 12.595 8.690 -6.095 1.00 0.00 C ATOM 513 CG PRO A 326 13.863 8.626 -5.312 1.00 0.00 C ATOM 514 CD PRO A 326 14.473 7.293 -5.622 1.00 0.00 C ATOM 0 HA PRO A 326 11.250 6.975 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.756 9.166 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.841 9.278 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.535 9.437 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.668 8.727 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.110 7.335 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 326 15.090 6.929 -4.801 1.00 0.00 H new ATOM 522 N LEU A 327 10.464 6.812 -7.965 1.00 0.00 N ATOM 523 CA LEU A 327 9.953 6.644 -9.315 1.00 0.00 C ATOM 524 C LEU A 327 9.662 8.003 -9.921 1.00 0.00 C ATOM 525 O LEU A 327 9.238 8.928 -9.229 1.00 0.00 O ATOM 526 CB LEU A 327 8.679 5.796 -9.302 1.00 0.00 C ATOM 527 CG LEU A 327 8.839 4.364 -8.786 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.505 3.636 -8.827 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.875 3.610 -9.601 1.00 0.00 C ATOM 0 H LEU A 327 9.747 6.790 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 327 10.705 6.132 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.934 6.302 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.282 5.755 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 327 9.183 4.410 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.634 2.619 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.784 4.161 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.139 3.605 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.972 2.595 -9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.562 3.574 -10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.836 4.119 -9.528 1.00 0.00 H new ATOM 541 N ARG A 328 9.904 8.121 -11.217 1.00 0.00 N ATOM 542 CA ARG A 328 9.693 9.377 -11.916 1.00 0.00 C ATOM 543 C ARG A 328 8.356 9.366 -12.642 1.00 0.00 C ATOM 544 O ARG A 328 7.749 10.417 -12.863 1.00 0.00 O ATOM 545 CB ARG A 328 10.825 9.634 -12.909 1.00 0.00 C ATOM 546 CG ARG A 328 12.190 9.743 -12.255 1.00 0.00 C ATOM 547 CD ARG A 328 13.266 10.063 -13.278 1.00 0.00 C ATOM 548 NE ARG A 328 13.028 11.340 -13.950 1.00 0.00 N ATOM 549 CZ ARG A 328 13.517 11.655 -15.142 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.294 10.797 -15.793 1.00 0.00 N ATOM 551 NH2 ARG A 328 13.226 12.831 -15.681 1.00 0.00 N ATOM 0 H ARG A 328 10.247 7.362 -11.806 1.00 0.00 H new ATOM 0 HA ARG A 328 9.684 10.180 -11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.845 8.827 -13.642 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.617 10.555 -13.454 1.00 0.00 H new ATOM 0 HG2 ARG A 328 12.169 10.520 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 328 12.430 8.807 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 328 14.238 10.090 -12.784 1.00 0.00 H new ATOM 0 HD3 ARG A 328 13.307 9.266 -14.020 1.00 0.00 H new ATOM 0 HE ARG A 328 12.450 12.031 -13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 328 14.516 9.893 -15.376 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.668 11.042 -16.710 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.629 13.488 -15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 328 13.599 13.078 -16.597 1.00 0.00 H new ATOM 565 N GLU A 329 7.902 8.176 -13.008 1.00 0.00 N ATOM 566 CA GLU A 329 6.619 8.006 -13.674 1.00 0.00 C ATOM 567 C GLU A 329 5.915 6.782 -13.110 1.00 0.00 C ATOM 568 O GLU A 329 6.553 5.908 -12.527 1.00 0.00 O ATOM 569 CB GLU A 329 6.803 7.834 -15.188 1.00 0.00 C ATOM 570 CG GLU A 329 7.357 9.059 -15.887 1.00 0.00 C ATOM 571 CD GLU A 329 7.425 8.884 -17.394 1.00 0.00 C ATOM 572 OE1 GLU A 329 8.447 8.366 -17.886 1.00 0.00 O ATOM 573 OE2 GLU A 329 6.458 9.254 -18.084 1.00 0.00 O ATOM 0 H GLU A 329 8.410 7.305 -12.853 1.00 0.00 H new ATOM 0 HA GLU A 329 6.019 8.899 -13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.472 6.992 -15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.841 7.578 -15.633 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.733 9.921 -15.652 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.355 9.273 -15.503 1.00 0.00 H new ATOM 580 N ILE A 330 4.603 6.740 -13.272 1.00 0.00 N ATOM 581 CA ILE A 330 3.819 5.592 -12.842 1.00 0.00 C ATOM 582 C ILE A 330 4.014 4.424 -13.808 1.00 0.00 C ATOM 583 O ILE A 330 3.654 4.511 -14.987 1.00 0.00 O ATOM 584 CB ILE A 330 2.314 5.939 -12.747 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.107 7.129 -11.803 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.515 4.731 -12.269 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.670 7.596 -11.718 1.00 0.00 C ATOM 0 H ILE A 330 4.057 7.488 -13.699 1.00 0.00 H new ATOM 0 HA ILE A 330 4.170 5.307 -11.850 1.00 0.00 H new ATOM 0 HB ILE A 330 1.955 6.213 -13.739 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.450 6.854 -10.806 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.730 7.959 -12.137 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.459 4.994 -12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.644 3.908 -12.972 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.870 4.426 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.602 8.440 -11.032 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.328 7.903 -12.706 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.044 6.781 -11.355 1.00 0.00 H new ATOM 599 N PRO A 331 4.614 3.325 -13.330 1.00 0.00 N ATOM 600 CA PRO A 331 4.863 2.136 -14.145 1.00 0.00 C ATOM 601 C PRO A 331 3.573 1.397 -14.483 1.00 0.00 C ATOM 602 O PRO A 331 2.757 1.108 -13.607 1.00 0.00 O ATOM 603 CB PRO A 331 5.767 1.259 -13.257 1.00 0.00 C ATOM 604 CG PRO A 331 6.182 2.128 -12.118 1.00 0.00 C ATOM 605 CD PRO A 331 5.102 3.155 -11.956 1.00 0.00 C ATOM 0 HA PRO A 331 5.315 2.389 -15.104 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.231 0.378 -12.902 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.634 0.902 -13.813 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.302 1.543 -11.206 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.142 2.602 -12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.314 2.812 -11.285 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.488 4.088 -11.544 1.00 0.00 H new ATOM 613 N SER A 332 3.395 1.098 -15.761 1.00 0.00 N ATOM 614 CA SER A 332 2.210 0.399 -16.236 1.00 0.00 C ATOM 615 C SER A 332 2.355 -1.108 -16.036 1.00 0.00 C ATOM 616 O SER A 332 3.205 -1.749 -16.659 1.00 0.00 O ATOM 617 CB SER A 332 1.974 0.718 -17.706 1.00 0.00 C ATOM 618 OG SER A 332 1.893 2.118 -17.909 1.00 0.00 O ATOM 0 H SER A 332 4.064 1.331 -16.495 1.00 0.00 H new ATOM 0 HA SER A 332 1.351 0.737 -15.657 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.784 0.305 -18.307 1.00 0.00 H new ATOM 0 HB3 SER A 332 1.053 0.243 -18.043 1.00 0.00 H new ATOM 0 HG SER A 332 1.743 2.303 -18.860 1.00 0.00 H new ATOM 624 N GLY A 333 1.530 -1.663 -15.166 1.00 0.00 N ATOM 625 CA GLY A 333 1.574 -3.084 -14.903 1.00 0.00 C ATOM 626 C GLY A 333 1.630 -3.379 -13.418 1.00 0.00 C ATOM 627 O GLY A 333 1.380 -2.491 -12.605 1.00 0.00 O ATOM 0 H GLY A 333 0.826 -1.152 -14.634 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.695 -3.561 -15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.446 -3.518 -15.393 1.00 0.00 H new ATOM 631 N THR A 334 1.937 -4.616 -13.078 1.00 0.00 N ATOM 632 CA THR A 334 2.053 -5.009 -11.685 1.00 0.00 C ATOM 633 C THR A 334 3.362 -4.510 -11.076 1.00 0.00 C ATOM 634 O THR A 334 4.453 -4.867 -11.523 1.00 0.00 O ATOM 635 CB THR A 334 1.939 -6.536 -11.522 1.00 0.00 C ATOM 636 OG1 THR A 334 2.787 -7.203 -12.464 1.00 0.00 O ATOM 637 CG2 THR A 334 0.501 -6.996 -11.715 1.00 0.00 C ATOM 0 H THR A 334 2.111 -5.367 -13.746 1.00 0.00 H new ATOM 0 HA THR A 334 1.225 -4.545 -11.149 1.00 0.00 H new ATOM 0 HB THR A 334 2.256 -6.790 -10.510 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.633 -6.715 -12.545 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.446 -8.078 -11.595 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.137 -6.516 -10.973 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.163 -6.724 -12.715 1.00 0.00 H new ATOM 645 N TRP A 335 3.240 -3.676 -10.055 1.00 0.00 N ATOM 646 CA TRP A 335 4.396 -3.093 -9.390 1.00 0.00 C ATOM 647 C TRP A 335 4.585 -3.734 -8.021 1.00 0.00 C ATOM 648 O TRP A 335 3.607 -4.036 -7.334 1.00 0.00 O ATOM 649 CB TRP A 335 4.220 -1.573 -9.254 1.00 0.00 C ATOM 650 CG TRP A 335 5.376 -0.892 -8.578 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.588 -0.592 -9.133 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.427 -0.422 -7.221 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.389 0.029 -8.207 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.699 0.148 -7.026 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.519 -0.423 -6.161 1.00 0.00 C ATOM 656 CZ2 TRP A 335 7.086 0.704 -5.815 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.908 0.129 -4.948 1.00 0.00 C ATOM 658 CH2 TRP A 335 6.179 0.688 -4.792 1.00 0.00 C ATOM 0 H TRP A 335 2.343 -3.385 -9.666 1.00 0.00 H new ATOM 0 HA TRP A 335 5.285 -3.284 -9.991 1.00 0.00 H new ATOM 0 HB2 TRP A 335 4.084 -1.141 -10.246 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.309 -1.370 -8.690 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.874 -0.811 -10.151 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.343 0.350 -8.370 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.532 -0.845 -6.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 8.068 1.134 -5.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 4.220 0.126 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.452 1.118 -3.840 1.00 0.00 H new ATOM 669 N ARG A 336 5.834 -3.938 -7.629 1.00 0.00 N ATOM 670 CA ARG A 336 6.138 -4.568 -6.352 1.00 0.00 C ATOM 671 C ARG A 336 7.070 -3.670 -5.546 1.00 0.00 C ATOM 672 O ARG A 336 8.086 -3.200 -6.057 1.00 0.00 O ATOM 673 CB ARG A 336 6.775 -5.943 -6.569 1.00 0.00 C ATOM 674 CG ARG A 336 5.904 -6.894 -7.370 1.00 0.00 C ATOM 675 CD ARG A 336 6.496 -8.294 -7.432 1.00 0.00 C ATOM 676 NE ARG A 336 7.827 -8.314 -8.036 1.00 0.00 N ATOM 677 CZ ARG A 336 8.897 -8.859 -7.451 1.00 0.00 C ATOM 678 NH1 ARG A 336 8.784 -9.419 -6.260 1.00 0.00 N ATOM 679 NH2 ARG A 336 10.074 -8.849 -8.067 1.00 0.00 N ATOM 0 H ARG A 336 6.654 -3.676 -8.177 1.00 0.00 H new ATOM 0 HA ARG A 336 5.211 -4.708 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.728 -5.816 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 336 6.992 -6.391 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.911 -6.940 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.781 -6.507 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 336 6.552 -8.706 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 336 5.831 -8.941 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 336 7.945 -7.888 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 336 7.880 -9.435 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.601 -9.835 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 336 10.163 -8.424 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 336 10.889 -9.266 -7.617 1.00 0.00 H new ATOM 693 N CYS A 337 6.710 -3.413 -4.297 1.00 0.00 N ATOM 694 CA CYS A 337 7.508 -2.547 -3.443 1.00 0.00 C ATOM 695 C CYS A 337 8.813 -3.231 -3.037 1.00 0.00 C ATOM 696 O CYS A 337 8.994 -4.423 -3.288 1.00 0.00 O ATOM 697 CB CYS A 337 6.724 -2.147 -2.191 1.00 0.00 C ATOM 698 SG CYS A 337 6.479 -3.511 -1.005 1.00 0.00 S ATOM 0 H CYS A 337 5.873 -3.791 -3.854 1.00 0.00 H new ATOM 0 HA CYS A 337 7.746 -1.649 -4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.249 -1.333 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.750 -1.761 -2.492 1.00 0.00 H new ATOM 0 HG CYS A 337 5.212 -3.635 -0.741 1.00 0.00 H new ATOM 703 N SER A 338 9.695 -2.493 -2.369 1.00 0.00 N ATOM 704 CA SER A 338 11.002 -3.016 -1.987 1.00 0.00 C ATOM 705 C SER A 338 10.862 -4.235 -1.067 1.00 0.00 C ATOM 706 O SER A 338 11.590 -5.220 -1.217 1.00 0.00 O ATOM 707 CB SER A 338 11.801 -1.916 -1.294 1.00 0.00 C ATOM 708 OG SER A 338 10.972 -1.186 -0.400 1.00 0.00 O ATOM 0 H SER A 338 9.527 -1.529 -2.081 1.00 0.00 H new ATOM 0 HA SER A 338 11.528 -3.339 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 338 12.637 -2.354 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.225 -1.242 -2.039 1.00 0.00 H new ATOM 0 HG SER A 338 11.500 -0.486 0.038 1.00 0.00 H new ATOM 714 N SER A 339 9.907 -4.164 -0.151 1.00 0.00 N ATOM 715 CA SER A 339 9.599 -5.283 0.739 1.00 0.00 C ATOM 716 C SER A 339 9.322 -6.553 -0.068 1.00 0.00 C ATOM 717 O SER A 339 9.807 -7.634 0.260 1.00 0.00 O ATOM 718 CB SER A 339 8.396 -4.933 1.623 1.00 0.00 C ATOM 719 OG SER A 339 8.149 -5.939 2.589 1.00 0.00 O ATOM 0 H SER A 339 9.326 -3.339 -0.001 1.00 0.00 H new ATOM 0 HA SER A 339 10.462 -5.470 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 339 8.577 -3.982 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.512 -4.801 1.000 1.00 0.00 H new ATOM 0 HG SER A 339 7.377 -5.684 3.137 1.00 0.00 H new ATOM 725 N CYS A 340 8.554 -6.411 -1.148 1.00 0.00 N ATOM 726 CA CYS A 340 8.260 -7.537 -2.029 1.00 0.00 C ATOM 727 C CYS A 340 9.481 -7.915 -2.868 1.00 0.00 C ATOM 728 O CYS A 340 9.756 -9.098 -3.075 1.00 0.00 O ATOM 729 CB CYS A 340 7.080 -7.204 -2.938 1.00 0.00 C ATOM 730 SG CYS A 340 5.547 -6.782 -2.053 1.00 0.00 S ATOM 0 H CYS A 340 8.126 -5.530 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 340 7.999 -8.392 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.356 -6.368 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.887 -8.056 -3.589 1.00 0.00 H new ATOM 0 HG CYS A 340 5.656 -5.593 -1.539 1.00 0.00 H new ATOM 735 N LEU A 341 10.213 -6.906 -3.333 1.00 0.00 N ATOM 736 CA LEU A 341 11.376 -7.122 -4.193 1.00 0.00 C ATOM 737 C LEU A 341 12.433 -7.990 -3.512 1.00 0.00 C ATOM 738 O LEU A 341 12.946 -8.932 -4.120 1.00 0.00 O ATOM 739 CB LEU A 341 11.998 -5.785 -4.596 1.00 0.00 C ATOM 740 CG LEU A 341 11.122 -4.896 -5.483 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.819 -3.574 -5.774 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.785 -5.606 -6.782 1.00 0.00 C ATOM 0 H LEU A 341 10.021 -5.925 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 341 11.026 -7.646 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.248 -5.232 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 341 12.934 -5.982 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 341 10.196 -4.690 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.180 -2.957 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.016 -3.052 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.761 -3.765 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.162 -4.959 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.705 -5.842 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.246 -6.528 -6.564 1.00 0.00 H new