USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=14 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 311 CYS SG : rot -151:sc= -0.847! USER MOD Set 1.2: A 314 CYS SG : rot 94:sc= 0.764 USER MOD Set 1.3: A 337 CYS SG : rot -23:sc= -0.029 USER MOD Set 1.4: A 339 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 340 CYS SG : rot 144:sc= 1.74 USER MOD Set 2.1: A 299 CYS SG : rot 10:sc= -0.563 USER MOD Set 2.2: A 302 CYS SG : rot -39:sc= 0.463 USER MOD Set 2.3: A 319 HIS : +bothHN:sc= 0.279 K(o=-0.97,f=-8.1!) USER MOD Set 2.4: A 322 CYS SG : rot -162:sc= -1.15 USER MOD Single : A 295 ASN : amide:sc= 0.708 K(o=0.71,f=-0.19) USER MOD Single : A 310 CYS SG : rot -46:sc= -0.129 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 47:sc= 0.209 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.440 -1.790 -0.728 1.00 0.00 N ATOM 86 CA ASN A 295 -5.169 -1.108 -0.525 1.00 0.00 C ATOM 87 C ASN A 295 -5.286 -0.060 0.571 1.00 0.00 C ATOM 88 O ASN A 295 -6.390 0.311 0.976 1.00 0.00 O ATOM 89 CB ASN A 295 -4.676 -0.448 -1.818 1.00 0.00 C ATOM 90 CG ASN A 295 -5.495 0.762 -2.262 1.00 0.00 C ATOM 91 OD1 ASN A 295 -4.942 1.734 -2.768 1.00 0.00 O ATOM 92 ND2 ASN A 295 -6.811 0.701 -2.119 1.00 0.00 N ATOM 0 HA ASN A 295 -4.442 -1.862 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.640 -0.139 -1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.685 -1.190 -2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -7.395 1.476 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -7.240 -0.121 -1.694 1.00 0.00 H new ATOM 99 N GLU A 296 -4.142 0.375 1.079 1.00 0.00 N ATOM 100 CA GLU A 296 -4.107 1.475 2.025 1.00 0.00 C ATOM 101 C GLU A 296 -4.135 2.796 1.269 1.00 0.00 C ATOM 102 O GLU A 296 -3.333 3.015 0.368 1.00 0.00 O ATOM 103 CB GLU A 296 -2.844 1.398 2.892 1.00 0.00 C ATOM 104 CG GLU A 296 -2.664 0.065 3.591 1.00 0.00 C ATOM 105 CD GLU A 296 -1.424 0.022 4.468 1.00 0.00 C ATOM 106 OE1 GLU A 296 -1.517 0.425 5.645 1.00 0.00 O ATOM 107 OE2 GLU A 296 -0.363 -0.429 3.986 1.00 0.00 O ATOM 0 H GLU A 296 -3.229 -0.018 0.851 1.00 0.00 H new ATOM 0 HA GLU A 296 -4.979 1.408 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.972 1.591 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.880 2.189 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.543 -0.141 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -2.603 -0.726 2.844 1.00 0.00 H new ATOM 114 N ASP A 297 -5.052 3.673 1.647 1.00 0.00 N ATOM 115 CA ASP A 297 -5.184 4.977 1.004 1.00 0.00 C ATOM 116 C ASP A 297 -4.210 5.981 1.598 1.00 0.00 C ATOM 117 O ASP A 297 -4.396 7.190 1.470 1.00 0.00 O ATOM 118 CB ASP A 297 -6.610 5.523 1.151 1.00 0.00 C ATOM 119 CG ASP A 297 -7.665 4.627 0.535 1.00 0.00 C ATOM 120 OD1 ASP A 297 -8.094 3.663 1.203 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.093 4.897 -0.607 1.00 0.00 O ATOM 0 H ASP A 297 -5.720 3.507 2.399 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.958 4.836 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.832 5.658 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.664 6.507 0.686 1.00 0.00 H new ATOM 126 N GLU A 298 -3.161 5.480 2.231 1.00 0.00 N ATOM 127 CA GLU A 298 -2.210 6.327 2.923 1.00 0.00 C ATOM 128 C GLU A 298 -0.805 5.982 2.466 1.00 0.00 C ATOM 129 O GLU A 298 -0.438 4.808 2.406 1.00 0.00 O ATOM 130 CB GLU A 298 -2.298 6.124 4.444 1.00 0.00 C ATOM 131 CG GLU A 298 -3.692 6.308 5.023 1.00 0.00 C ATOM 132 CD GLU A 298 -4.235 7.709 4.845 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.579 8.670 5.299 1.00 0.00 O ATOM 134 OE2 GLU A 298 -5.334 7.856 4.269 1.00 0.00 O ATOM 0 H GLU A 298 -2.948 4.484 2.278 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.444 7.366 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -1.947 5.121 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.620 6.824 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.371 5.600 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -3.671 6.066 6.086 1.00 0.00 H new ATOM 141 N CYS A 299 -0.028 6.993 2.116 1.00 0.00 N ATOM 142 CA CYS A 299 1.367 6.772 1.780 1.00 0.00 C ATOM 143 C CYS A 299 2.131 6.383 3.034 1.00 0.00 C ATOM 144 O CYS A 299 2.309 7.194 3.944 1.00 0.00 O ATOM 145 CB CYS A 299 1.995 8.008 1.150 1.00 0.00 C ATOM 146 SG CYS A 299 3.768 7.822 0.765 1.00 0.00 S ATOM 0 H CYS A 299 -0.335 7.964 2.058 1.00 0.00 H new ATOM 0 HA CYS A 299 1.419 5.966 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.458 8.249 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.867 8.853 1.826 1.00 0.00 H new ATOM 0 HG CYS A 299 4.116 6.579 0.915 1.00 0.00 H new ATOM 151 N ALA A 300 2.562 5.129 3.090 1.00 0.00 N ATOM 152 CA ALA A 300 3.285 4.588 4.241 1.00 0.00 C ATOM 153 C ALA A 300 4.563 5.371 4.568 1.00 0.00 C ATOM 154 O ALA A 300 5.200 5.116 5.593 1.00 0.00 O ATOM 155 CB ALA A 300 3.610 3.121 4.003 1.00 0.00 C ATOM 0 H ALA A 300 2.421 4.454 2.338 1.00 0.00 H new ATOM 0 HA ALA A 300 2.630 4.688 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.148 2.723 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.685 2.561 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.230 3.026 3.111 1.00 0.00 H new ATOM 161 N VAL A 301 4.938 6.316 3.720 1.00 0.00 N ATOM 162 CA VAL A 301 6.126 7.124 3.956 1.00 0.00 C ATOM 163 C VAL A 301 5.787 8.418 4.699 1.00 0.00 C ATOM 164 O VAL A 301 6.279 8.647 5.805 1.00 0.00 O ATOM 165 CB VAL A 301 6.842 7.476 2.635 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.103 8.283 2.900 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.173 6.218 1.847 1.00 0.00 C ATOM 0 H VAL A 301 4.437 6.543 2.861 1.00 0.00 H new ATOM 0 HA VAL A 301 6.792 6.522 4.574 1.00 0.00 H new ATOM 0 HB VAL A 301 6.163 8.086 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.590 8.519 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.842 9.208 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.783 7.702 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.677 6.491 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.826 5.578 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.253 5.681 1.615 1.00 0.00 H new ATOM 177 N CYS A 302 4.951 9.261 4.100 1.00 0.00 N ATOM 178 CA CYS A 302 4.677 10.588 4.655 1.00 0.00 C ATOM 179 C CYS A 302 3.216 10.762 5.091 1.00 0.00 C ATOM 180 O CYS A 302 2.798 11.864 5.443 1.00 0.00 O ATOM 181 CB CYS A 302 5.042 11.654 3.625 1.00 0.00 C ATOM 182 SG CYS A 302 4.298 11.372 1.980 1.00 0.00 S ATOM 0 H CYS A 302 4.453 9.053 3.235 1.00 0.00 H new ATOM 0 HA CYS A 302 5.289 10.698 5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.724 12.628 3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.126 11.691 3.522 1.00 0.00 H new ATOM 0 HG CYS A 302 4.323 10.102 1.704 1.00 0.00 H new ATOM 187 N ARG A 303 2.450 9.671 5.071 1.00 0.00 N ATOM 188 CA ARG A 303 1.044 9.684 5.494 1.00 0.00 C ATOM 189 C ARG A 303 0.177 10.635 4.666 1.00 0.00 C ATOM 190 O ARG A 303 -0.764 11.234 5.187 1.00 0.00 O ATOM 191 CB ARG A 303 0.929 10.058 6.975 1.00 0.00 C ATOM 192 CG ARG A 303 1.574 9.061 7.927 1.00 0.00 C ATOM 193 CD ARG A 303 1.343 9.471 9.366 1.00 0.00 C ATOM 194 NE ARG A 303 2.008 8.576 10.312 1.00 0.00 N ATOM 195 CZ ARG A 303 2.181 8.852 11.601 1.00 0.00 C ATOM 196 NH1 ARG A 303 1.776 10.015 12.101 1.00 0.00 N ATOM 197 NH2 ARG A 303 2.781 7.968 12.391 1.00 0.00 N ATOM 0 H ARG A 303 2.782 8.757 4.763 1.00 0.00 H new ATOM 0 HA ARG A 303 0.671 8.673 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.387 11.035 7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.126 10.157 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.161 8.067 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.644 9.000 7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.706 10.488 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.272 9.482 9.571 1.00 0.00 H new ATOM 0 HE ARG A 303 2.361 7.685 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 303 1.329 10.703 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 303 1.912 10.220 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 303 3.107 7.081 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 303 2.915 8.177 13.380 1.00 0.00 H new ATOM 211 N ASP A 304 0.484 10.774 3.386 1.00 0.00 N ATOM 212 CA ASP A 304 -0.326 11.601 2.494 1.00 0.00 C ATOM 213 C ASP A 304 -0.966 10.741 1.413 1.00 0.00 C ATOM 214 O ASP A 304 -0.618 9.569 1.263 1.00 0.00 O ATOM 215 CB ASP A 304 0.513 12.702 1.838 1.00 0.00 C ATOM 216 CG ASP A 304 0.775 13.873 2.762 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.198 14.528 3.184 1.00 0.00 O ATOM 218 OD2 ASP A 304 1.955 14.156 3.049 1.00 0.00 O ATOM 0 H ASP A 304 1.285 10.328 2.939 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.104 12.071 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.465 12.282 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.001 13.058 0.944 1.00 0.00 H new ATOM 223 N GLY A 305 -1.903 11.316 0.671 1.00 0.00 N ATOM 224 CA GLY A 305 -2.549 10.595 -0.403 1.00 0.00 C ATOM 225 C GLY A 305 -2.477 11.358 -1.702 1.00 0.00 C ATOM 226 O GLY A 305 -1.514 12.081 -1.948 1.00 0.00 O ATOM 0 H GLY A 305 -2.227 12.275 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.075 9.621 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.592 10.412 -0.144 1.00 0.00 H new ATOM 230 N GLY A 306 -3.494 11.214 -2.545 1.00 0.00 N ATOM 231 CA GLY A 306 -3.504 11.897 -3.821 1.00 0.00 C ATOM 232 C GLY A 306 -2.857 11.076 -4.914 1.00 0.00 C ATOM 233 O GLY A 306 -3.457 10.123 -5.420 1.00 0.00 O ATOM 0 H GLY A 306 -4.313 10.634 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.532 12.125 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.981 12.849 -3.726 1.00 0.00 H new ATOM 237 N GLU A 307 -1.624 11.425 -5.262 1.00 0.00 N ATOM 238 CA GLU A 307 -0.899 10.731 -6.317 1.00 0.00 C ATOM 239 C GLU A 307 -0.246 9.468 -5.760 1.00 0.00 C ATOM 240 O GLU A 307 0.973 9.406 -5.597 1.00 0.00 O ATOM 241 CB GLU A 307 0.177 11.647 -6.911 1.00 0.00 C ATOM 242 CG GLU A 307 -0.346 12.982 -7.415 1.00 0.00 C ATOM 243 CD GLU A 307 -1.238 12.846 -8.631 1.00 0.00 C ATOM 244 OE1 GLU A 307 -2.460 12.675 -8.456 1.00 0.00 O ATOM 245 OE2 GLU A 307 -0.721 12.927 -9.764 1.00 0.00 O ATOM 0 H GLU A 307 -1.105 12.187 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.604 10.455 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.939 11.831 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.666 11.127 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -0.902 13.473 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 307 0.497 13.627 -7.660 1.00 0.00 H new ATOM 252 N LEU A 308 -1.059 8.463 -5.472 1.00 0.00 N ATOM 253 CA LEU A 308 -0.564 7.239 -4.868 1.00 0.00 C ATOM 254 C LEU A 308 -0.481 6.108 -5.880 1.00 0.00 C ATOM 255 O LEU A 308 -1.211 6.085 -6.875 1.00 0.00 O ATOM 256 CB LEU A 308 -1.468 6.809 -3.709 1.00 0.00 C ATOM 257 CG LEU A 308 -1.464 7.731 -2.490 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.389 7.189 -1.423 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.052 7.891 -1.950 1.00 0.00 C ATOM 0 H LEU A 308 -2.064 8.472 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 308 0.439 7.447 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.490 6.730 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.168 5.811 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.825 8.714 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.378 7.854 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.403 7.125 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.054 6.197 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.067 8.550 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.339 6.916 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.586 8.321 -2.722 1.00 0.00 H new ATOM 271 N ILE A 309 0.419 5.181 -5.620 1.00 0.00 N ATOM 272 CA ILE A 309 0.523 3.959 -6.388 1.00 0.00 C ATOM 273 C ILE A 309 0.481 2.766 -5.444 1.00 0.00 C ATOM 274 O ILE A 309 1.250 2.698 -4.481 1.00 0.00 O ATOM 275 CB ILE A 309 1.813 3.923 -7.244 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.961 2.565 -7.935 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.042 4.234 -6.392 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.195 2.459 -8.802 1.00 0.00 C ATOM 0 H ILE A 309 1.102 5.256 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.321 3.916 -7.076 1.00 0.00 H new ATOM 0 HB ILE A 309 1.733 4.692 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 309 1.991 1.782 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.079 2.381 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.935 4.202 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.940 5.227 -5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.130 3.494 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.234 1.470 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.158 3.219 -9.583 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.084 2.611 -8.190 1.00 0.00 H new ATOM 290 N CYS A 310 -0.446 1.852 -5.678 1.00 0.00 N ATOM 291 CA CYS A 310 -0.562 0.672 -4.847 1.00 0.00 C ATOM 292 C CYS A 310 0.252 -0.464 -5.436 1.00 0.00 C ATOM 293 O CYS A 310 0.153 -0.763 -6.632 1.00 0.00 O ATOM 294 CB CYS A 310 -2.024 0.244 -4.728 1.00 0.00 C ATOM 295 SG CYS A 310 -2.261 -1.330 -3.867 1.00 0.00 S ATOM 0 H CYS A 310 -1.127 1.907 -6.436 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.181 0.912 -3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.578 1.021 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.452 0.168 -5.727 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.421 -2.208 -4.329 1.00 0.00 H new ATOM 301 N CYS A 311 1.065 -1.077 -4.598 1.00 0.00 N ATOM 302 CA CYS A 311 1.843 -2.236 -4.990 1.00 0.00 C ATOM 303 C CYS A 311 0.936 -3.403 -5.374 1.00 0.00 C ATOM 304 O CYS A 311 -0.203 -3.485 -4.914 1.00 0.00 O ATOM 305 CB CYS A 311 2.786 -2.639 -3.862 1.00 0.00 C ATOM 306 SG CYS A 311 3.799 -4.109 -4.213 1.00 0.00 S ATOM 0 H CYS A 311 1.205 -0.787 -3.630 1.00 0.00 H new ATOM 0 HA CYS A 311 2.434 -1.971 -5.867 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.448 -1.801 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.198 -2.825 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 311 4.081 -4.717 -3.099 1.00 0.00 H new ATOM 311 N ASP A 312 1.434 -4.276 -6.232 1.00 0.00 N ATOM 312 CA ASP A 312 0.660 -5.422 -6.692 1.00 0.00 C ATOM 313 C ASP A 312 0.347 -6.381 -5.541 1.00 0.00 C ATOM 314 O ASP A 312 -0.804 -6.499 -5.117 1.00 0.00 O ATOM 315 CB ASP A 312 1.402 -6.157 -7.806 1.00 0.00 C ATOM 316 CG ASP A 312 0.697 -7.430 -8.229 1.00 0.00 C ATOM 317 OD1 ASP A 312 -0.430 -7.348 -8.757 1.00 0.00 O ATOM 318 OD2 ASP A 312 1.264 -8.523 -8.021 1.00 0.00 O ATOM 0 H ASP A 312 2.373 -4.215 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.285 -5.048 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.503 -5.497 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 312 2.410 -6.398 -7.469 1.00 0.00 H new ATOM 323 N GLY A 313 1.373 -7.062 -5.041 1.00 0.00 N ATOM 324 CA GLY A 313 1.177 -8.035 -3.971 1.00 0.00 C ATOM 325 C GLY A 313 0.967 -7.417 -2.601 1.00 0.00 C ATOM 326 O GLY A 313 0.456 -8.071 -1.692 1.00 0.00 O ATOM 0 H GLY A 313 2.338 -6.961 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 313 0.315 -8.656 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.044 -8.694 -3.931 1.00 0.00 H new ATOM 330 N CYS A 314 1.363 -6.168 -2.440 1.00 0.00 N ATOM 331 CA CYS A 314 1.239 -5.509 -1.149 1.00 0.00 C ATOM 332 C CYS A 314 0.286 -4.322 -1.238 1.00 0.00 C ATOM 333 O CYS A 314 0.364 -3.542 -2.173 1.00 0.00 O ATOM 334 CB CYS A 314 2.609 -5.056 -0.634 1.00 0.00 C ATOM 335 SG CYS A 314 3.765 -6.421 -0.275 1.00 0.00 S ATOM 0 H CYS A 314 1.770 -5.593 -3.178 1.00 0.00 H new ATOM 0 HA CYS A 314 0.828 -6.229 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.062 -4.397 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.467 -4.468 0.273 1.00 0.00 H new ATOM 0 HG CYS A 314 4.516 -6.638 -1.314 1.00 0.00 H new ATOM 340 N PRO A 315 -0.605 -4.159 -0.241 1.00 0.00 N ATOM 341 CA PRO A 315 -1.596 -3.068 -0.213 1.00 0.00 C ATOM 342 C PRO A 315 -0.957 -1.715 0.097 1.00 0.00 C ATOM 343 O PRO A 315 -1.648 -0.717 0.300 1.00 0.00 O ATOM 344 CB PRO A 315 -2.563 -3.475 0.917 1.00 0.00 C ATOM 345 CG PRO A 315 -2.174 -4.864 1.309 1.00 0.00 C ATOM 346 CD PRO A 315 -0.727 -5.016 0.938 1.00 0.00 C ATOM 0 HA PRO A 315 -2.084 -2.943 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.483 -2.793 1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.598 -3.441 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.320 -5.022 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.788 -5.601 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.067 -4.693 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.473 -6.052 0.713 1.00 0.00 H new ATOM 354 N ARG A 316 0.367 -1.715 0.162 1.00 0.00 N ATOM 355 CA ARG A 316 1.147 -0.517 0.427 1.00 0.00 C ATOM 356 C ARG A 316 1.002 0.512 -0.696 1.00 0.00 C ATOM 357 O ARG A 316 1.191 0.190 -1.871 1.00 0.00 O ATOM 358 CB ARG A 316 2.621 -0.887 0.574 1.00 0.00 C ATOM 359 CG ARG A 316 2.944 -1.697 1.818 1.00 0.00 C ATOM 360 CD ARG A 316 2.770 -0.869 3.075 1.00 0.00 C ATOM 361 NE ARG A 316 3.312 -1.547 4.248 1.00 0.00 N ATOM 362 CZ ARG A 316 3.014 -1.216 5.500 1.00 0.00 C ATOM 363 NH1 ARG A 316 2.023 -0.367 5.757 1.00 0.00 N ATOM 364 NH2 ARG A 316 3.671 -1.790 6.503 1.00 0.00 N ATOM 0 H ARG A 316 0.933 -2.553 0.031 1.00 0.00 H new ATOM 0 HA ARG A 316 0.771 -0.074 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.930 -1.454 -0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 316 3.213 0.028 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 316 2.295 -2.572 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 316 3.969 -2.063 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.267 0.093 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 316 1.711 -0.663 3.231 1.00 0.00 H new ATOM 0 HE ARG A 316 3.958 -2.322 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 316 1.485 0.036 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 316 1.801 -0.119 6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 316 4.398 -2.479 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 316 3.448 -1.542 7.467 1.00 0.00 H new ATOM 378 N ALA A 317 0.678 1.741 -0.315 1.00 0.00 N ATOM 379 CA ALA A 317 0.621 2.846 -1.262 1.00 0.00 C ATOM 380 C ALA A 317 1.732 3.853 -0.981 1.00 0.00 C ATOM 381 O ALA A 317 2.071 4.112 0.176 1.00 0.00 O ATOM 382 CB ALA A 317 -0.741 3.526 -1.223 1.00 0.00 C ATOM 0 H ALA A 317 0.450 1.998 0.646 1.00 0.00 H new ATOM 0 HA ALA A 317 0.769 2.441 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.758 4.348 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.516 2.804 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.925 3.914 -0.221 1.00 0.00 H new ATOM 388 N PHE A 318 2.301 4.406 -2.047 1.00 0.00 N ATOM 389 CA PHE A 318 3.425 5.329 -1.924 1.00 0.00 C ATOM 390 C PHE A 318 3.330 6.431 -2.966 1.00 0.00 C ATOM 391 O PHE A 318 2.617 6.288 -3.963 1.00 0.00 O ATOM 392 CB PHE A 318 4.755 4.586 -2.107 1.00 0.00 C ATOM 393 CG PHE A 318 4.963 3.463 -1.127 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.392 3.722 0.162 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.726 2.152 -1.499 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.581 2.692 1.069 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.909 1.120 -0.608 1.00 0.00 C ATOM 398 CZ PHE A 318 5.337 1.390 0.680 1.00 0.00 C ATOM 0 H PHE A 318 2.003 4.231 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 318 3.387 5.768 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.800 4.185 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.575 5.298 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.582 4.741 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.393 1.936 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.917 2.906 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.719 0.102 -0.913 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.480 0.581 1.382 1.00 0.00 H new ATOM 408 N HIS A 319 4.028 7.537 -2.725 1.00 0.00 N ATOM 409 CA HIS A 319 4.169 8.586 -3.725 1.00 0.00 C ATOM 410 C HIS A 319 5.399 8.326 -4.580 1.00 0.00 C ATOM 411 O HIS A 319 6.355 7.711 -4.098 1.00 0.00 O ATOM 412 CB HIS A 319 4.290 9.969 -3.088 1.00 0.00 C ATOM 413 CG HIS A 319 3.036 10.467 -2.448 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.856 10.414 -1.095 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.956 11.054 -3.011 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.682 10.970 -0.864 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.103 11.372 -1.991 1.00 0.00 N ATOM 0 H HIS A 319 4.505 7.728 -1.844 1.00 0.00 H new ATOM 0 HA HIS A 319 3.269 8.570 -4.340 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.080 9.942 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.601 10.681 -3.852 1.00 0.00 H new ATOM 0 HD1 HIS A 319 3.498 10.024 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.798 11.237 -4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.246 11.084 0.118 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.196 11.830 -2.078 1.00 0.00 H new ATOM 425 N LEU A 320 5.389 8.796 -5.811 1.00 0.00 N ATOM 426 CA LEU A 320 6.471 8.507 -6.746 1.00 0.00 C ATOM 427 C LEU A 320 7.824 8.974 -6.211 1.00 0.00 C ATOM 428 O LEU A 320 8.750 8.174 -6.073 1.00 0.00 O ATOM 429 CB LEU A 320 6.191 9.161 -8.093 1.00 0.00 C ATOM 430 CG LEU A 320 4.895 8.721 -8.779 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.708 9.469 -10.087 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.901 7.217 -9.015 1.00 0.00 C ATOM 0 H LEU A 320 4.645 9.381 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 320 6.517 7.425 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.160 10.242 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.026 8.950 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 320 4.057 8.960 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.782 9.145 -10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.659 10.540 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.548 9.260 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 320 3.972 6.922 -9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.746 6.952 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 320 4.989 6.699 -8.060 1.00 0.00 H new ATOM 444 N ALA A 321 7.935 10.261 -5.888 1.00 0.00 N ATOM 445 CA ALA A 321 9.202 10.830 -5.439 1.00 0.00 C ATOM 446 C ALA A 321 9.513 10.440 -3.995 1.00 0.00 C ATOM 447 O ALA A 321 10.657 10.530 -3.547 1.00 0.00 O ATOM 448 CB ALA A 321 9.177 12.347 -5.579 1.00 0.00 C ATOM 0 H ALA A 321 7.164 10.928 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 321 9.991 10.424 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.128 12.759 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.017 12.613 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.368 12.755 -4.973 1.00 0.00 H new ATOM 454 N CYS A 322 8.491 10.025 -3.263 1.00 0.00 N ATOM 455 CA CYS A 322 8.678 9.573 -1.896 1.00 0.00 C ATOM 456 C CYS A 322 9.208 8.143 -1.862 1.00 0.00 C ATOM 457 O CYS A 322 9.665 7.661 -0.828 1.00 0.00 O ATOM 458 CB CYS A 322 7.372 9.674 -1.110 1.00 0.00 C ATOM 459 SG CYS A 322 6.721 11.370 -0.969 1.00 0.00 S ATOM 0 H CYS A 322 7.526 9.992 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 322 9.416 10.223 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.621 9.046 -1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.530 9.272 -0.109 1.00 0.00 H new ATOM 0 HG CYS A 322 5.852 11.422 -0.004 1.00 0.00 H new ATOM 464 N LEU A 323 9.119 7.463 -2.999 1.00 0.00 N ATOM 465 CA LEU A 323 9.667 6.125 -3.135 1.00 0.00 C ATOM 466 C LEU A 323 11.181 6.177 -3.252 1.00 0.00 C ATOM 467 O LEU A 323 11.755 7.228 -3.540 1.00 0.00 O ATOM 468 CB LEU A 323 9.089 5.441 -4.362 1.00 0.00 C ATOM 469 CG LEU A 323 9.343 3.938 -4.455 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.484 3.196 -3.447 1.00 0.00 C ATOM 471 CD2 LEU A 323 9.076 3.441 -5.866 1.00 0.00 C ATOM 0 H LEU A 323 8.670 7.821 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 323 9.398 5.556 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 323 8.013 5.612 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.502 5.918 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 323 10.390 3.744 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.675 2.126 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 323 8.728 3.537 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.432 3.392 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 323 9.262 2.368 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.038 3.642 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 323 9.736 3.956 -6.564 1.00 0.00 H new ATOM 483 N SER A 324 11.821 5.050 -3.027 1.00 0.00 N ATOM 484 CA SER A 324 13.256 4.930 -3.204 1.00 0.00 C ATOM 485 C SER A 324 13.558 3.638 -3.969 1.00 0.00 C ATOM 486 O SER A 324 13.328 2.545 -3.448 1.00 0.00 O ATOM 487 CB SER A 324 13.951 4.932 -1.844 1.00 0.00 C ATOM 488 OG SER A 324 15.348 5.156 -1.965 1.00 0.00 O ATOM 0 H SER A 324 11.365 4.192 -2.717 1.00 0.00 H new ATOM 0 HA SER A 324 13.632 5.778 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.512 5.705 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.778 3.978 -1.346 1.00 0.00 H new ATOM 0 HG SER A 324 15.758 5.152 -1.075 1.00 0.00 H new ATOM 494 N PRO A 325 14.060 3.725 -5.208 1.00 0.00 N ATOM 495 CA PRO A 325 14.366 4.994 -5.876 1.00 0.00 C ATOM 496 C PRO A 325 13.110 5.763 -6.279 1.00 0.00 C ATOM 497 O PRO A 325 12.090 5.166 -6.626 1.00 0.00 O ATOM 498 CB PRO A 325 15.136 4.557 -7.121 1.00 0.00 C ATOM 499 CG PRO A 325 14.649 3.180 -7.403 1.00 0.00 C ATOM 500 CD PRO A 325 14.365 2.566 -6.067 1.00 0.00 C ATOM 0 HA PRO A 325 14.917 5.672 -5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 325 14.943 5.225 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.212 4.568 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 325 13.752 3.202 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.398 2.604 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.526 1.872 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.222 2.005 -5.694 1.00 0.00 H new ATOM 508 N PRO A 326 13.179 7.100 -6.230 1.00 0.00 N ATOM 509 CA PRO A 326 12.046 7.970 -6.558 1.00 0.00 C ATOM 510 C PRO A 326 11.664 7.883 -8.032 1.00 0.00 C ATOM 511 O PRO A 326 12.496 8.098 -8.918 1.00 0.00 O ATOM 512 CB PRO A 326 12.552 9.379 -6.219 1.00 0.00 C ATOM 513 CG PRO A 326 13.780 9.175 -5.400 1.00 0.00 C ATOM 514 CD PRO A 326 14.368 7.876 -5.853 1.00 0.00 C ATOM 0 HA PRO A 326 11.148 7.688 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.773 9.945 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.801 9.943 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.485 9.994 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.539 9.145 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.048 8.010 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.935 7.389 -5.060 1.00 0.00 H new ATOM 522 N LEU A 327 10.408 7.562 -8.278 1.00 0.00 N ATOM 523 CA LEU A 327 9.905 7.423 -9.636 1.00 0.00 C ATOM 524 C LEU A 327 9.552 8.786 -10.225 1.00 0.00 C ATOM 525 O LEU A 327 9.270 9.736 -9.495 1.00 0.00 O ATOM 526 CB LEU A 327 8.669 6.522 -9.647 1.00 0.00 C ATOM 527 CG LEU A 327 8.902 5.099 -9.128 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.590 4.332 -9.071 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.905 4.371 -10.010 1.00 0.00 C ATOM 0 H LEU A 327 9.712 7.391 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 327 10.688 6.972 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.891 6.990 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.289 6.463 -10.667 1.00 0.00 H new ATOM 0 HG LEU A 327 9.309 5.161 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.774 3.324 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.898 4.844 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.156 4.278 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 327 10.060 3.362 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.523 4.319 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.852 4.910 -10.005 1.00 0.00 H new ATOM 541 N ARG A 328 9.594 8.871 -11.545 1.00 0.00 N ATOM 542 CA ARG A 328 9.251 10.101 -12.251 1.00 0.00 C ATOM 543 C ARG A 328 7.808 10.045 -12.727 1.00 0.00 C ATOM 544 O ARG A 328 7.113 11.060 -12.782 1.00 0.00 O ATOM 545 CB ARG A 328 10.169 10.300 -13.455 1.00 0.00 C ATOM 546 CG ARG A 328 11.645 10.115 -13.151 1.00 0.00 C ATOM 547 CD ARG A 328 12.481 10.218 -14.414 1.00 0.00 C ATOM 548 NE ARG A 328 11.934 9.385 -15.492 1.00 0.00 N ATOM 549 CZ ARG A 328 12.593 8.397 -16.094 1.00 0.00 C ATOM 550 NH1 ARG A 328 13.827 8.082 -15.713 1.00 0.00 N ATOM 551 NH2 ARG A 328 12.009 7.709 -17.065 1.00 0.00 N ATOM 0 H ARG A 328 9.864 8.099 -12.155 1.00 0.00 H new ATOM 0 HA ARG A 328 9.377 10.937 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 328 9.880 9.598 -14.238 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.015 11.303 -13.853 1.00 0.00 H new ATOM 0 HG2 ARG A 328 11.969 10.870 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 328 11.804 9.143 -12.684 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.521 11.257 -14.741 1.00 0.00 H new ATOM 0 HD3 ARG A 328 13.505 9.911 -14.200 1.00 0.00 H new ATOM 0 HE ARG A 328 10.981 9.577 -15.802 1.00 0.00 H new ATOM 0 HH11 ARG A 328 14.274 8.598 -14.955 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.327 7.324 -16.178 1.00 0.00 H new ATOM 0 HH21 ARG A 328 11.056 7.937 -17.350 1.00 0.00 H new ATOM 0 HH22 ARG A 328 12.512 6.952 -17.527 1.00 0.00 H new ATOM 565 N GLU A 329 7.371 8.846 -13.085 1.00 0.00 N ATOM 566 CA GLU A 329 6.030 8.618 -13.598 1.00 0.00 C ATOM 567 C GLU A 329 5.478 7.325 -13.000 1.00 0.00 C ATOM 568 O GLU A 329 6.245 6.463 -12.567 1.00 0.00 O ATOM 569 CB GLU A 329 6.079 8.530 -15.139 1.00 0.00 C ATOM 570 CG GLU A 329 4.744 8.210 -15.794 1.00 0.00 C ATOM 571 CD GLU A 329 3.703 9.291 -15.592 1.00 0.00 C ATOM 572 OE1 GLU A 329 3.069 9.324 -14.516 1.00 0.00 O ATOM 573 OE2 GLU A 329 3.498 10.104 -16.521 1.00 0.00 O ATOM 0 H GLU A 329 7.940 8.001 -13.027 1.00 0.00 H new ATOM 0 HA GLU A 329 5.375 9.443 -13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.445 9.478 -15.533 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.802 7.766 -15.424 1.00 0.00 H new ATOM 0 HG2 GLU A 329 4.898 8.059 -16.862 1.00 0.00 H new ATOM 0 HG3 GLU A 329 4.365 7.271 -15.391 1.00 0.00 H new ATOM 580 N ILE A 330 4.157 7.208 -12.959 1.00 0.00 N ATOM 581 CA ILE A 330 3.511 6.016 -12.432 1.00 0.00 C ATOM 582 C ILE A 330 3.655 4.847 -13.401 1.00 0.00 C ATOM 583 O ILE A 330 3.159 4.900 -14.533 1.00 0.00 O ATOM 584 CB ILE A 330 2.010 6.262 -12.143 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.841 7.411 -11.144 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.354 4.994 -11.606 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.399 7.740 -10.818 1.00 0.00 C ATOM 0 H ILE A 330 3.512 7.927 -13.286 1.00 0.00 H new ATOM 0 HA ILE A 330 4.009 5.771 -11.494 1.00 0.00 H new ATOM 0 HB ILE A 330 1.520 6.536 -13.077 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.362 7.155 -10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.324 8.302 -11.546 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.299 5.186 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.446 4.196 -12.343 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.847 4.693 -10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.366 8.563 -10.105 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.123 8.029 -11.730 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -0.085 6.865 -10.384 1.00 0.00 H new ATOM 599 N PRO A 331 4.362 3.786 -12.977 1.00 0.00 N ATOM 600 CA PRO A 331 4.573 2.589 -13.797 1.00 0.00 C ATOM 601 C PRO A 331 3.265 1.886 -14.136 1.00 0.00 C ATOM 602 O PRO A 331 2.404 1.692 -13.278 1.00 0.00 O ATOM 603 CB PRO A 331 5.439 1.684 -12.911 1.00 0.00 C ATOM 604 CG PRO A 331 6.025 2.585 -11.881 1.00 0.00 C ATOM 605 CD PRO A 331 5.022 3.680 -11.674 1.00 0.00 C ATOM 0 HA PRO A 331 5.032 2.835 -14.755 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.842 0.897 -12.451 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.219 1.193 -13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.212 2.046 -10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.981 2.989 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.314 3.432 -10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.502 4.616 -11.389 1.00 0.00 H new ATOM 613 N SER A 332 3.125 1.511 -15.394 1.00 0.00 N ATOM 614 CA SER A 332 1.935 0.832 -15.866 1.00 0.00 C ATOM 615 C SER A 332 2.171 -0.679 -15.898 1.00 0.00 C ATOM 616 O SER A 332 2.853 -1.190 -16.787 1.00 0.00 O ATOM 617 CB SER A 332 1.556 1.350 -17.251 1.00 0.00 C ATOM 618 OG SER A 332 1.414 2.762 -17.235 1.00 0.00 O ATOM 0 H SER A 332 3.830 1.668 -16.114 1.00 0.00 H new ATOM 0 HA SER A 332 1.110 1.036 -15.183 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.320 1.064 -17.974 1.00 0.00 H new ATOM 0 HB3 SER A 332 0.623 0.889 -17.575 1.00 0.00 H new ATOM 0 HG SER A 332 1.173 3.077 -18.131 1.00 0.00 H new ATOM 624 N GLY A 333 1.628 -1.383 -14.919 1.00 0.00 N ATOM 625 CA GLY A 333 1.783 -2.823 -14.864 1.00 0.00 C ATOM 626 C GLY A 333 1.817 -3.347 -13.441 1.00 0.00 C ATOM 627 O GLY A 333 1.113 -2.836 -12.573 1.00 0.00 O ATOM 0 H GLY A 333 1.080 -0.983 -14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.961 -3.295 -15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.703 -3.106 -15.375 1.00 0.00 H new ATOM 631 N THR A 334 2.639 -4.356 -13.210 1.00 0.00 N ATOM 632 CA THR A 334 2.754 -4.963 -11.896 1.00 0.00 C ATOM 633 C THR A 334 3.973 -4.423 -11.154 1.00 0.00 C ATOM 634 O THR A 334 5.113 -4.790 -11.449 1.00 0.00 O ATOM 635 CB THR A 334 2.846 -6.495 -12.008 1.00 0.00 C ATOM 636 OG1 THR A 334 3.811 -6.858 -13.005 1.00 0.00 O ATOM 637 CG2 THR A 334 1.489 -7.093 -12.363 1.00 0.00 C ATOM 0 H THR A 334 3.240 -4.774 -13.920 1.00 0.00 H new ATOM 0 HA THR A 334 1.858 -4.706 -11.331 1.00 0.00 H new ATOM 0 HB THR A 334 3.159 -6.891 -11.042 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.627 -6.330 -12.878 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.577 -8.177 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.766 -6.840 -11.588 1.00 0.00 H new ATOM 0 HG23 THR A 334 1.153 -6.690 -13.318 1.00 0.00 H new ATOM 645 N TRP A 335 3.726 -3.548 -10.192 1.00 0.00 N ATOM 646 CA TRP A 335 4.794 -2.932 -9.430 1.00 0.00 C ATOM 647 C TRP A 335 4.955 -3.641 -8.091 1.00 0.00 C ATOM 648 O TRP A 335 3.968 -4.021 -7.455 1.00 0.00 O ATOM 649 CB TRP A 335 4.509 -1.444 -9.224 1.00 0.00 C ATOM 650 CG TRP A 335 5.573 -0.750 -8.435 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.829 -0.428 -8.856 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.478 -0.297 -7.075 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.524 0.184 -7.849 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.713 0.281 -6.745 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.466 -0.327 -6.111 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.963 0.823 -5.487 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.716 0.214 -4.867 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.957 0.782 -4.564 1.00 0.00 C ATOM 0 H TRP A 335 2.789 -3.249 -9.921 1.00 0.00 H new ATOM 0 HA TRP A 335 5.727 -3.027 -9.986 1.00 0.00 H new ATOM 0 HB2 TRP A 335 4.411 -0.960 -10.196 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.553 -1.330 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 335 7.219 -0.627 -9.843 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.487 0.514 -7.908 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.505 -0.766 -6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.921 1.261 -5.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.941 0.199 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.124 1.197 -3.581 1.00 0.00 H new ATOM 669 N ARG A 336 6.199 -3.824 -7.660 1.00 0.00 N ATOM 670 CA ARG A 336 6.483 -4.545 -6.427 1.00 0.00 C ATOM 671 C ARG A 336 7.320 -3.673 -5.492 1.00 0.00 C ATOM 672 O ARG A 336 8.356 -3.149 -5.898 1.00 0.00 O ATOM 673 CB ARG A 336 7.227 -5.846 -6.736 1.00 0.00 C ATOM 674 CG ARG A 336 6.525 -6.721 -7.759 1.00 0.00 C ATOM 675 CD ARG A 336 7.318 -7.980 -8.063 1.00 0.00 C ATOM 676 NE ARG A 336 7.227 -8.968 -6.993 1.00 0.00 N ATOM 677 CZ ARG A 336 8.094 -9.963 -6.828 1.00 0.00 C ATOM 678 NH1 ARG A 336 9.187 -10.029 -7.583 1.00 0.00 N ATOM 679 NH2 ARG A 336 7.873 -10.880 -5.898 1.00 0.00 N ATOM 0 H ARG A 336 7.027 -3.482 -8.148 1.00 0.00 H new ATOM 0 HA ARG A 336 5.540 -4.787 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.226 -5.606 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.352 -6.411 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.538 -6.994 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 336 6.374 -6.156 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 336 6.954 -8.420 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 336 8.364 -7.717 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 336 6.453 -8.891 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 336 9.362 -9.315 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.850 -10.793 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 336 7.040 -10.821 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 336 8.535 -11.645 -5.768 1.00 0.00 H new ATOM 693 N CYS A 337 6.861 -3.506 -4.271 1.00 0.00 N ATOM 694 CA CYS A 337 7.569 -2.677 -3.305 1.00 0.00 C ATOM 695 C CYS A 337 8.671 -3.470 -2.600 1.00 0.00 C ATOM 696 O CYS A 337 8.936 -4.623 -2.955 1.00 0.00 O ATOM 697 CB CYS A 337 6.589 -2.092 -2.287 1.00 0.00 C ATOM 698 SG CYS A 337 5.698 -3.341 -1.300 1.00 0.00 S ATOM 0 H CYS A 337 6.003 -3.930 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 337 8.042 -1.856 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.135 -1.434 -1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.861 -1.475 -2.814 1.00 0.00 H new ATOM 0 HG CYS A 337 5.674 -4.469 -1.946 1.00 0.00 H new ATOM 703 N SER A 338 9.284 -2.868 -1.581 1.00 0.00 N ATOM 704 CA SER A 338 10.418 -3.473 -0.893 1.00 0.00 C ATOM 705 C SER A 338 10.017 -4.802 -0.246 1.00 0.00 C ATOM 706 O SER A 338 10.767 -5.779 -0.298 1.00 0.00 O ATOM 707 CB SER A 338 10.961 -2.501 0.166 1.00 0.00 C ATOM 708 OG SER A 338 12.125 -3.011 0.797 1.00 0.00 O ATOM 0 H SER A 338 9.010 -1.957 -1.214 1.00 0.00 H new ATOM 0 HA SER A 338 11.201 -3.678 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.190 -1.544 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 338 10.193 -2.313 0.916 1.00 0.00 H new ATOM 0 HG SER A 338 12.445 -2.367 1.463 1.00 0.00 H new ATOM 714 N SER A 339 8.824 -4.832 0.341 1.00 0.00 N ATOM 715 CA SER A 339 8.313 -6.041 0.978 1.00 0.00 C ATOM 716 C SER A 339 8.319 -7.217 -0.002 1.00 0.00 C ATOM 717 O SER A 339 8.783 -8.305 0.329 1.00 0.00 O ATOM 718 CB SER A 339 6.900 -5.804 1.517 1.00 0.00 C ATOM 719 OG SER A 339 6.476 -6.884 2.331 1.00 0.00 O ATOM 0 H SER A 339 8.193 -4.032 0.389 1.00 0.00 H new ATOM 0 HA SER A 339 8.968 -6.289 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.878 -4.879 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.207 -5.677 0.685 1.00 0.00 H new ATOM 0 HG SER A 339 5.571 -6.707 2.664 1.00 0.00 H new ATOM 725 N CYS A 340 7.827 -6.980 -1.218 1.00 0.00 N ATOM 726 CA CYS A 340 7.773 -8.016 -2.251 1.00 0.00 C ATOM 727 C CYS A 340 9.167 -8.545 -2.575 1.00 0.00 C ATOM 728 O CYS A 340 9.363 -9.746 -2.766 1.00 0.00 O ATOM 729 CB CYS A 340 7.138 -7.460 -3.525 1.00 0.00 C ATOM 730 SG CYS A 340 5.507 -6.698 -3.270 1.00 0.00 S ATOM 0 H CYS A 340 7.459 -6.076 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 340 7.167 -8.836 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.809 -6.719 -3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.041 -8.267 -4.252 1.00 0.00 H new ATOM 0 HG CYS A 340 5.377 -5.676 -4.062 1.00 0.00 H new ATOM 735 N LEU A 341 10.132 -7.636 -2.622 1.00 0.00 N ATOM 736 CA LEU A 341 11.511 -7.988 -2.946 1.00 0.00 C ATOM 737 C LEU A 341 12.113 -8.883 -1.867 1.00 0.00 C ATOM 738 O LEU A 341 12.970 -9.725 -2.143 1.00 0.00 O ATOM 739 CB LEU A 341 12.351 -6.716 -3.109 1.00 0.00 C ATOM 740 CG LEU A 341 11.826 -5.710 -4.136 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.682 -4.454 -4.131 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.791 -6.332 -5.524 1.00 0.00 C ATOM 0 H LEU A 341 9.985 -6.643 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 341 11.514 -8.541 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.419 -6.219 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.364 -7.003 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 341 10.808 -5.434 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 341 12.296 -3.748 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.654 -3.998 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.710 -4.714 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.415 -5.602 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.797 -6.638 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.136 -7.203 -5.516 1.00 0.00 H new