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 168:sc= -1.12 USER MOD Set 1.2: A 302 CYS SG : rot -130:sc= 0.224 USER MOD Set 1.3: A 319 HIS : no HD1:sc= -2.56! C(o=-4.5!,f=-9!) USER MOD Set 1.4: A 322 CYS SG : rot 148:sc= -1.04 USER MOD Set 2.1: A 311 CYS SG : rot -150:sc= 1.23! USER MOD Set 2.2: A 314 CYS SG : rot 79:sc= 0.0964 USER MOD Set 2.3: A 337 CYS SG : rot -66:sc= 0.0683 USER MOD Set 2.4: A 339 SER OG : rot 180:sc= 0 USER MOD Set 2.5: A 340 CYS SG : rot 157:sc= 2.57 USER MOD Single : A 295 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.1) USER MOD Single : A 310 CYS SG : rot 130:sc= -1.9! 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 46:sc= 0.206 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00572 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.225 -1.465 -1.405 1.00 0.00 N ATOM 86 CA ASN A 295 -5.143 -0.508 -1.536 1.00 0.00 C ATOM 87 C ASN A 295 -5.281 0.548 -0.451 1.00 0.00 C ATOM 88 O ASN A 295 -6.352 1.131 -0.265 1.00 0.00 O ATOM 89 CB ASN A 295 -5.126 0.123 -2.930 1.00 0.00 C ATOM 90 CG ASN A 295 -6.299 1.052 -3.202 1.00 0.00 C ATOM 91 OD1 ASN A 295 -6.220 2.259 -2.973 1.00 0.00 O ATOM 92 ND2 ASN A 295 -7.394 0.504 -3.715 1.00 0.00 N ATOM 0 HA ASN A 295 -4.191 -1.024 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -4.198 0.681 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -5.123 -0.671 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -8.203 1.087 -3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -7.427 -0.500 -3.893 1.00 0.00 H new ATOM 99 N GLU A 296 -4.211 0.746 0.303 1.00 0.00 N ATOM 100 CA GLU A 296 -4.230 1.672 1.424 1.00 0.00 C ATOM 101 C GLU A 296 -4.297 3.115 0.948 1.00 0.00 C ATOM 102 O GLU A 296 -3.666 3.486 -0.038 1.00 0.00 O ATOM 103 CB GLU A 296 -2.997 1.452 2.298 1.00 0.00 C ATOM 104 CG GLU A 296 -2.815 0.005 2.729 1.00 0.00 C ATOM 105 CD GLU A 296 -3.988 -0.525 3.526 1.00 0.00 C ATOM 106 OE1 GLU A 296 -5.015 -0.907 2.928 1.00 0.00 O ATOM 107 OE2 GLU A 296 -3.880 -0.576 4.773 1.00 0.00 O ATOM 0 H GLU A 296 -3.317 0.277 0.158 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.126 1.478 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.111 1.775 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -3.072 2.081 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -2.672 -0.617 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.908 -0.079 3.328 1.00 0.00 H new ATOM 114 N ASP A 297 -5.090 3.920 1.640 1.00 0.00 N ATOM 115 CA ASP A 297 -5.280 5.324 1.275 1.00 0.00 C ATOM 116 C ASP A 297 -4.233 6.237 1.902 1.00 0.00 C ATOM 117 O ASP A 297 -4.397 7.458 1.900 1.00 0.00 O ATOM 118 CB ASP A 297 -6.659 5.805 1.717 1.00 0.00 C ATOM 119 CG ASP A 297 -7.801 5.094 1.027 1.00 0.00 C ATOM 120 OD1 ASP A 297 -8.086 3.927 1.379 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.433 5.707 0.144 1.00 0.00 O ATOM 0 H ASP A 297 -5.617 3.627 2.463 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.181 5.376 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.754 5.667 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.740 6.875 1.525 1.00 0.00 H new ATOM 126 N GLU A 298 -3.157 5.666 2.418 1.00 0.00 N ATOM 127 CA GLU A 298 -2.133 6.451 3.092 1.00 0.00 C ATOM 128 C GLU A 298 -0.759 6.098 2.543 1.00 0.00 C ATOM 129 O GLU A 298 -0.416 4.922 2.417 1.00 0.00 O ATOM 130 CB GLU A 298 -2.158 6.187 4.601 1.00 0.00 C ATOM 131 CG GLU A 298 -3.363 6.765 5.328 1.00 0.00 C ATOM 132 CD GLU A 298 -3.290 8.271 5.482 1.00 0.00 C ATOM 133 OE1 GLU A 298 -2.375 8.759 6.168 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.164 8.971 4.928 1.00 0.00 O ATOM 0 H GLU A 298 -2.969 4.664 2.384 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.338 7.506 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.132 5.110 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.251 6.600 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.270 6.504 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -3.441 6.307 6.314 1.00 0.00 H new ATOM 141 N CYS A 299 0.015 7.115 2.197 1.00 0.00 N ATOM 142 CA CYS A 299 1.400 6.913 1.814 1.00 0.00 C ATOM 143 C CYS A 299 2.227 6.583 3.042 1.00 0.00 C ATOM 144 O CYS A 299 2.447 7.439 3.896 1.00 0.00 O ATOM 145 CB CYS A 299 1.968 8.152 1.122 1.00 0.00 C ATOM 146 SG CYS A 299 3.740 8.027 0.703 1.00 0.00 S ATOM 0 H CYS A 299 -0.294 8.087 2.174 1.00 0.00 H new ATOM 0 HA CYS A 299 1.443 6.082 1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.402 8.336 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.819 9.016 1.769 1.00 0.00 H new ATOM 0 HG CYS A 299 4.068 9.002 -0.092 1.00 0.00 H new ATOM 151 N ALA A 300 2.660 5.329 3.119 1.00 0.00 N ATOM 152 CA ALA A 300 3.454 4.827 4.238 1.00 0.00 C ATOM 153 C ALA A 300 4.671 5.706 4.542 1.00 0.00 C ATOM 154 O ALA A 300 5.234 5.630 5.640 1.00 0.00 O ATOM 155 CB ALA A 300 3.897 3.400 3.959 1.00 0.00 C ATOM 0 H ALA A 300 2.470 4.627 2.404 1.00 0.00 H new ATOM 0 HA ALA A 300 2.816 4.852 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.489 3.032 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 300 3.020 2.766 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.500 3.377 3.052 1.00 0.00 H new ATOM 161 N VAL A 301 5.070 6.534 3.589 1.00 0.00 N ATOM 162 CA VAL A 301 6.224 7.404 3.767 1.00 0.00 C ATOM 163 C VAL A 301 5.877 8.651 4.587 1.00 0.00 C ATOM 164 O VAL A 301 6.363 8.816 5.710 1.00 0.00 O ATOM 165 CB VAL A 301 6.812 7.838 2.402 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.037 8.722 2.596 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.161 6.622 1.559 1.00 0.00 C ATOM 0 H VAL A 301 4.611 6.622 2.682 1.00 0.00 H new ATOM 0 HA VAL A 301 6.969 6.825 4.313 1.00 0.00 H new ATOM 0 HB VAL A 301 6.054 8.417 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.433 9.014 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.757 9.614 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.799 8.171 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.573 6.948 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.898 6.015 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.262 6.030 1.384 1.00 0.00 H new ATOM 177 N CYS A 302 5.027 9.515 4.035 1.00 0.00 N ATOM 178 CA CYS A 302 4.817 10.840 4.617 1.00 0.00 C ATOM 179 C CYS A 302 3.397 11.054 5.150 1.00 0.00 C ATOM 180 O CYS A 302 3.010 12.191 5.431 1.00 0.00 O ATOM 181 CB CYS A 302 5.140 11.908 3.572 1.00 0.00 C ATOM 182 SG CYS A 302 4.260 11.672 1.998 1.00 0.00 S ATOM 0 H CYS A 302 4.479 9.326 3.196 1.00 0.00 H new ATOM 0 HA CYS A 302 5.486 10.919 5.474 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.888 12.888 3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.213 11.907 3.383 1.00 0.00 H new ATOM 0 HG CYS A 302 5.107 11.732 1.014 1.00 0.00 H new ATOM 187 N ARG A 303 2.632 9.972 5.290 1.00 0.00 N ATOM 188 CA ARG A 303 1.267 10.049 5.826 1.00 0.00 C ATOM 189 C ARG A 303 0.379 10.971 4.970 1.00 0.00 C ATOM 190 O ARG A 303 -0.387 11.776 5.497 1.00 0.00 O ATOM 191 CB ARG A 303 1.290 10.535 7.273 1.00 0.00 C ATOM 192 CG ARG A 303 -0.039 10.356 7.977 1.00 0.00 C ATOM 193 CD ARG A 303 -0.262 11.453 8.980 1.00 0.00 C ATOM 194 NE ARG A 303 -0.149 12.772 8.367 1.00 0.00 N ATOM 195 CZ ARG A 303 -0.625 13.898 8.888 1.00 0.00 C ATOM 196 NH1 ARG A 303 -1.265 13.884 10.048 1.00 0.00 N ATOM 197 NH2 ARG A 303 -0.448 15.040 8.239 1.00 0.00 N ATOM 0 H ARG A 303 2.932 9.029 5.040 1.00 0.00 H new ATOM 0 HA ARG A 303 0.840 9.046 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 303 2.061 9.993 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 303 1.566 11.589 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -0.847 10.356 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -0.063 9.388 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.250 11.342 9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.465 11.363 9.787 1.00 0.00 H new ATOM 0 HE ARG A 303 0.332 12.835 7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.395 13.005 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -1.627 14.753 10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 303 0.049 15.049 7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -0.809 15.910 8.630 1.00 0.00 H new ATOM 211 N ASP A 304 0.500 10.877 3.663 1.00 0.00 N ATOM 212 CA ASP A 304 -0.331 11.687 2.769 1.00 0.00 C ATOM 213 C ASP A 304 -0.987 10.813 1.716 1.00 0.00 C ATOM 214 O ASP A 304 -0.604 9.661 1.537 1.00 0.00 O ATOM 215 CB ASP A 304 0.492 12.780 2.073 1.00 0.00 C ATOM 216 CG ASP A 304 0.907 13.896 3.005 1.00 0.00 C ATOM 217 OD1 ASP A 304 0.028 14.485 3.672 1.00 0.00 O ATOM 218 OD2 ASP A 304 2.112 14.209 3.065 1.00 0.00 O ATOM 0 H ASP A 304 1.157 10.256 3.190 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.097 12.163 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.383 12.331 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.091 13.198 1.253 1.00 0.00 H new ATOM 223 N GLY A 305 -1.976 11.363 1.025 1.00 0.00 N ATOM 224 CA GLY A 305 -2.631 10.638 -0.041 1.00 0.00 C ATOM 225 C GLY A 305 -2.617 11.415 -1.343 1.00 0.00 C ATOM 226 O GLY A 305 -1.714 12.220 -1.583 1.00 0.00 O ATOM 0 H GLY A 305 -2.337 12.303 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.135 9.678 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.661 10.425 0.244 1.00 0.00 H new ATOM 230 N GLY A 306 -3.615 11.192 -2.186 1.00 0.00 N ATOM 231 CA GLY A 306 -3.677 11.887 -3.455 1.00 0.00 C ATOM 232 C GLY A 306 -3.137 11.055 -4.602 1.00 0.00 C ATOM 233 O GLY A 306 -3.786 10.110 -5.049 1.00 0.00 O ATOM 0 H GLY A 306 -4.382 10.543 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.711 12.161 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -3.109 12.815 -3.385 1.00 0.00 H new ATOM 237 N GLU A 307 -1.942 11.395 -5.072 1.00 0.00 N ATOM 238 CA GLU A 307 -1.318 10.666 -6.172 1.00 0.00 C ATOM 239 C GLU A 307 -0.581 9.431 -5.650 1.00 0.00 C ATOM 240 O GLU A 307 0.649 9.384 -5.620 1.00 0.00 O ATOM 241 CB GLU A 307 -0.360 11.581 -6.945 1.00 0.00 C ATOM 242 CG GLU A 307 0.656 12.302 -6.073 1.00 0.00 C ATOM 243 CD GLU A 307 1.703 13.033 -6.884 1.00 0.00 C ATOM 244 OE1 GLU A 307 2.719 12.411 -7.260 1.00 0.00 O ATOM 245 OE2 GLU A 307 1.514 14.236 -7.162 1.00 0.00 O ATOM 0 H GLU A 307 -1.386 12.170 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.101 10.333 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.173 10.986 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -0.945 12.322 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 307 0.138 13.013 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 307 1.146 11.580 -5.420 1.00 0.00 H new ATOM 252 N LEU A 308 -1.343 8.424 -5.259 1.00 0.00 N ATOM 253 CA LEU A 308 -0.770 7.238 -4.646 1.00 0.00 C ATOM 254 C LEU A 308 -0.575 6.117 -5.656 1.00 0.00 C ATOM 255 O LEU A 308 -1.341 5.975 -6.611 1.00 0.00 O ATOM 256 CB LEU A 308 -1.657 6.748 -3.502 1.00 0.00 C ATOM 257 CG LEU A 308 -1.761 7.693 -2.301 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.715 7.130 -1.267 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.392 7.931 -1.703 1.00 0.00 C ATOM 0 H LEU A 308 -2.358 8.404 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 308 0.209 7.517 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.659 6.571 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.276 5.787 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 308 -2.157 8.651 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.778 7.813 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.703 7.010 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.351 6.161 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.479 8.604 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.031 6.982 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.260 8.379 -2.453 1.00 0.00 H new ATOM 271 N ILE A 309 0.465 5.336 -5.437 1.00 0.00 N ATOM 272 CA ILE A 309 0.707 4.128 -6.199 1.00 0.00 C ATOM 273 C ILE A 309 0.892 2.963 -5.236 1.00 0.00 C ATOM 274 O ILE A 309 1.776 2.989 -4.373 1.00 0.00 O ATOM 275 CB ILE A 309 1.936 4.265 -7.141 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.228 2.934 -7.842 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.160 4.753 -6.379 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.390 2.993 -8.814 1.00 0.00 C ATOM 0 H ILE A 309 1.168 5.523 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.156 3.946 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 309 1.697 5.009 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.436 2.175 -7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.335 2.613 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.004 4.839 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.949 5.727 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.404 4.042 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.534 2.013 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.177 3.727 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.296 3.282 -8.281 1.00 0.00 H new ATOM 290 N CYS A 310 0.021 1.975 -5.336 1.00 0.00 N ATOM 291 CA CYS A 310 0.058 0.835 -4.438 1.00 0.00 C ATOM 292 C CYS A 310 0.583 -0.400 -5.159 1.00 0.00 C ATOM 293 O CYS A 310 0.314 -0.607 -6.338 1.00 0.00 O ATOM 294 CB CYS A 310 -1.335 0.579 -3.861 1.00 0.00 C ATOM 295 SG CYS A 310 -2.677 0.866 -5.042 1.00 0.00 S ATOM 0 H CYS A 310 -0.723 1.939 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 310 0.739 1.057 -3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.388 -0.451 -3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.483 1.222 -2.993 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.474 -0.161 -5.051 1.00 0.00 H new ATOM 301 N CYS A 311 1.356 -1.195 -4.433 1.00 0.00 N ATOM 302 CA CYS A 311 1.995 -2.378 -4.999 1.00 0.00 C ATOM 303 C CYS A 311 0.981 -3.451 -5.410 1.00 0.00 C ATOM 304 O CYS A 311 -0.098 -3.567 -4.831 1.00 0.00 O ATOM 305 CB CYS A 311 2.976 -2.940 -3.979 1.00 0.00 C ATOM 306 SG CYS A 311 3.845 -4.448 -4.503 1.00 0.00 S ATOM 0 H CYS A 311 1.558 -1.042 -3.445 1.00 0.00 H new ATOM 0 HA CYS A 311 2.519 -2.081 -5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.716 -2.174 -3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.436 -3.151 -3.056 1.00 0.00 H new ATOM 0 HG CYS A 311 4.123 -5.173 -3.460 1.00 0.00 H new ATOM 311 N ASP A 312 1.366 -4.245 -6.413 1.00 0.00 N ATOM 312 CA ASP A 312 0.506 -5.294 -6.972 1.00 0.00 C ATOM 313 C ASP A 312 0.501 -6.529 -6.075 1.00 0.00 C ATOM 314 O ASP A 312 -0.301 -7.449 -6.259 1.00 0.00 O ATOM 315 CB ASP A 312 0.980 -5.688 -8.374 1.00 0.00 C ATOM 316 CG ASP A 312 1.998 -6.817 -8.361 1.00 0.00 C ATOM 317 OD1 ASP A 312 3.115 -6.613 -7.843 1.00 0.00 O ATOM 318 OD2 ASP A 312 1.677 -7.916 -8.856 1.00 0.00 O ATOM 0 H ASP A 312 2.280 -4.180 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.507 -4.895 -7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 312 0.119 -5.989 -8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 312 1.418 -4.817 -8.862 1.00 0.00 H new ATOM 323 N GLY A 313 1.392 -6.529 -5.094 1.00 0.00 N ATOM 324 CA GLY A 313 1.501 -7.642 -4.183 1.00 0.00 C ATOM 325 C GLY A 313 1.319 -7.202 -2.743 1.00 0.00 C ATOM 326 O GLY A 313 0.885 -7.975 -1.891 1.00 0.00 O ATOM 0 H GLY A 313 2.046 -5.768 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 313 0.751 -8.393 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.476 -8.115 -4.300 1.00 0.00 H new ATOM 330 N CYS A 314 1.657 -5.949 -2.479 1.00 0.00 N ATOM 331 CA CYS A 314 1.511 -5.378 -1.146 1.00 0.00 C ATOM 332 C CYS A 314 0.524 -4.218 -1.188 1.00 0.00 C ATOM 333 O CYS A 314 0.652 -3.325 -2.025 1.00 0.00 O ATOM 334 CB CYS A 314 2.864 -4.906 -0.617 1.00 0.00 C ATOM 335 SG CYS A 314 4.071 -6.250 -0.385 1.00 0.00 S ATOM 0 H CYS A 314 2.036 -5.305 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 314 1.129 -6.145 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.279 -4.173 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.714 -4.396 0.335 1.00 0.00 H new ATOM 0 HG CYS A 314 4.590 -6.570 -1.533 1.00 0.00 H new ATOM 340 N PRO A 315 -0.471 -4.211 -0.288 1.00 0.00 N ATOM 341 CA PRO A 315 -1.499 -3.155 -0.230 1.00 0.00 C ATOM 342 C PRO A 315 -0.921 -1.778 0.104 1.00 0.00 C ATOM 343 O PRO A 315 -1.614 -0.766 0.002 1.00 0.00 O ATOM 344 CB PRO A 315 -2.441 -3.620 0.885 1.00 0.00 C ATOM 345 CG PRO A 315 -2.149 -5.070 1.073 1.00 0.00 C ATOM 346 CD PRO A 315 -0.695 -5.240 0.740 1.00 0.00 C ATOM 0 HA PRO A 315 -1.989 -3.028 -1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.266 -3.062 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.484 -3.462 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.355 -5.381 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.774 -5.682 0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.060 -5.085 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.481 -6.240 0.364 1.00 0.00 H new ATOM 354 N ARG A 316 0.346 -1.766 0.514 1.00 0.00 N ATOM 355 CA ARG A 316 1.055 -0.537 0.872 1.00 0.00 C ATOM 356 C ARG A 316 0.983 0.493 -0.263 1.00 0.00 C ATOM 357 O ARG A 316 1.251 0.172 -1.424 1.00 0.00 O ATOM 358 CB ARG A 316 2.523 -0.846 1.172 1.00 0.00 C ATOM 359 CG ARG A 316 2.740 -1.831 2.312 1.00 0.00 C ATOM 360 CD ARG A 316 3.168 -1.131 3.598 1.00 0.00 C ATOM 361 NE ARG A 316 2.049 -0.512 4.312 1.00 0.00 N ATOM 362 CZ ARG A 316 2.205 0.266 5.390 1.00 0.00 C ATOM 363 NH1 ARG A 316 3.419 0.618 5.793 1.00 0.00 N ATOM 364 NH2 ARG A 316 1.145 0.712 6.049 1.00 0.00 N ATOM 0 H ARG A 316 0.912 -2.609 0.608 1.00 0.00 H new ATOM 0 HA ARG A 316 0.574 -0.121 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.989 -1.244 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 316 3.036 0.086 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.820 -2.387 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 316 3.500 -2.557 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.655 -1.853 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.908 -0.366 3.360 1.00 0.00 H new ATOM 0 HE ARG A 316 1.103 -0.682 3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.240 0.296 5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 316 3.531 1.211 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 316 0.207 0.463 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 316 1.267 1.305 6.870 1.00 0.00 H new ATOM 378 N ALA A 317 0.625 1.719 0.104 1.00 0.00 N ATOM 379 CA ALA A 317 0.549 2.815 -0.851 1.00 0.00 C ATOM 380 C ALA A 317 1.692 3.793 -0.631 1.00 0.00 C ATOM 381 O ALA A 317 2.124 4.019 0.503 1.00 0.00 O ATOM 382 CB ALA A 317 -0.786 3.535 -0.732 1.00 0.00 C ATOM 0 H ALA A 317 0.382 1.978 1.060 1.00 0.00 H new ATOM 0 HA ALA A 317 0.633 2.400 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.825 4.351 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.596 2.834 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.895 3.936 0.276 1.00 0.00 H new ATOM 388 N PHE A 318 2.178 4.362 -1.720 1.00 0.00 N ATOM 389 CA PHE A 318 3.303 5.285 -1.673 1.00 0.00 C ATOM 390 C PHE A 318 3.102 6.409 -2.676 1.00 0.00 C ATOM 391 O PHE A 318 2.293 6.290 -3.585 1.00 0.00 O ATOM 392 CB PHE A 318 4.612 4.557 -2.000 1.00 0.00 C ATOM 393 CG PHE A 318 4.913 3.380 -1.117 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.488 3.559 0.132 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.629 2.092 -1.540 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.767 2.475 0.942 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.903 1.004 -0.742 1.00 0.00 C ATOM 398 CZ PHE A 318 5.476 1.195 0.508 1.00 0.00 C ATOM 0 H PHE A 318 1.808 4.200 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 318 3.360 5.696 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.574 4.217 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.435 5.268 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.720 4.556 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.185 1.939 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.212 2.628 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.673 0.007 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.694 0.346 1.139 1.00 0.00 H new ATOM 408 N HIS A 319 3.825 7.502 -2.487 1.00 0.00 N ATOM 409 CA HIS A 319 3.898 8.536 -3.498 1.00 0.00 C ATOM 410 C HIS A 319 5.086 8.264 -4.393 1.00 0.00 C ATOM 411 O HIS A 319 6.101 7.746 -3.928 1.00 0.00 O ATOM 412 CB HIS A 319 4.033 9.931 -2.886 1.00 0.00 C ATOM 413 CG HIS A 319 2.774 10.459 -2.277 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.690 10.748 -0.946 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.597 10.763 -2.869 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.473 11.215 -0.752 1.00 0.00 C ATOM 417 NE2 HIS A 319 0.775 11.241 -1.882 1.00 0.00 N ATOM 0 H HIS A 319 4.367 7.692 -1.644 1.00 0.00 H new ATOM 0 HA HIS A 319 2.970 8.516 -4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.810 9.906 -2.122 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.367 10.623 -3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.352 10.651 -3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.091 11.536 0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 319 -0.189 11.556 -1.994 1.00 0.00 H new ATOM 425 N LEU A 320 4.965 8.617 -5.656 1.00 0.00 N ATOM 426 CA LEU A 320 5.963 8.263 -6.655 1.00 0.00 C ATOM 427 C LEU A 320 7.364 8.708 -6.236 1.00 0.00 C ATOM 428 O LEU A 320 8.284 7.887 -6.144 1.00 0.00 O ATOM 429 CB LEU A 320 5.584 8.910 -7.994 1.00 0.00 C ATOM 430 CG LEU A 320 6.299 8.350 -9.219 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.903 6.900 -9.438 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.984 9.192 -10.441 1.00 0.00 C ATOM 0 H LEU A 320 4.179 9.154 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 320 5.981 7.178 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 320 4.509 8.799 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 320 5.789 9.979 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 320 7.375 8.387 -9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 320 6.419 6.510 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 320 6.179 6.311 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 320 4.826 6.836 -9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 320 6.501 8.782 -11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 320 4.909 9.184 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 320 6.316 10.216 -10.272 1.00 0.00 H new ATOM 444 N ALA A 321 7.520 9.996 -5.947 1.00 0.00 N ATOM 445 CA ALA A 321 8.823 10.547 -5.593 1.00 0.00 C ATOM 446 C ALA A 321 9.165 10.331 -4.116 1.00 0.00 C ATOM 447 O ALA A 321 10.334 10.375 -3.733 1.00 0.00 O ATOM 448 CB ALA A 321 8.874 12.028 -5.933 1.00 0.00 C ATOM 0 H ALA A 321 6.761 10.677 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 321 9.571 10.012 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 321 9.851 12.429 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 321 8.708 12.162 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.100 12.556 -5.377 1.00 0.00 H new ATOM 454 N CYS A 322 8.151 10.113 -3.290 1.00 0.00 N ATOM 455 CA CYS A 322 8.371 9.898 -1.864 1.00 0.00 C ATOM 456 C CYS A 322 8.924 8.505 -1.604 1.00 0.00 C ATOM 457 O CYS A 322 9.502 8.242 -0.540 1.00 0.00 O ATOM 458 CB CYS A 322 7.075 10.097 -1.083 1.00 0.00 C ATOM 459 SG CYS A 322 6.362 11.764 -1.226 1.00 0.00 S ATOM 0 H CYS A 322 7.173 10.080 -3.579 1.00 0.00 H new ATOM 0 HA CYS A 322 9.103 10.631 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.341 9.370 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.263 9.884 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 322 5.066 11.689 -1.159 1.00 0.00 H new ATOM 464 N LEU A 323 8.740 7.613 -2.563 1.00 0.00 N ATOM 465 CA LEU A 323 9.257 6.255 -2.480 1.00 0.00 C ATOM 466 C LEU A 323 10.781 6.272 -2.367 1.00 0.00 C ATOM 467 O LEU A 323 11.427 7.223 -2.809 1.00 0.00 O ATOM 468 CB LEU A 323 8.848 5.478 -3.732 1.00 0.00 C ATOM 469 CG LEU A 323 9.057 3.966 -3.670 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.030 3.338 -2.744 1.00 0.00 C ATOM 471 CD2 LEU A 323 8.975 3.357 -5.047 1.00 0.00 C ATOM 0 H LEU A 323 8.227 7.809 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 323 8.843 5.773 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 323 7.794 5.673 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.410 5.870 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 323 10.053 3.768 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.186 2.260 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 323 8.138 3.756 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.028 3.546 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 323 9.127 2.280 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.993 3.558 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 323 9.745 3.792 -5.684 1.00 0.00 H new ATOM 483 N SER A 324 11.358 5.257 -1.744 1.00 0.00 N ATOM 484 CA SER A 324 12.799 5.102 -1.739 1.00 0.00 C ATOM 485 C SER A 324 13.169 3.657 -2.074 1.00 0.00 C ATOM 486 O SER A 324 12.878 2.738 -1.295 1.00 0.00 O ATOM 487 CB SER A 324 13.349 5.488 -0.362 1.00 0.00 C ATOM 488 OG SER A 324 12.865 6.763 0.031 1.00 0.00 O ATOM 0 H SER A 324 10.850 4.532 -1.237 1.00 0.00 H new ATOM 0 HA SER A 324 13.238 5.756 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.057 4.740 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 324 14.439 5.500 -0.390 1.00 0.00 H new ATOM 0 HG SER A 324 13.225 6.992 0.913 1.00 0.00 H new ATOM 494 N PRO A 325 13.800 3.420 -3.239 1.00 0.00 N ATOM 495 CA PRO A 325 14.168 4.476 -4.196 1.00 0.00 C ATOM 496 C PRO A 325 12.961 5.036 -4.942 1.00 0.00 C ATOM 497 O PRO A 325 12.043 4.299 -5.297 1.00 0.00 O ATOM 498 CB PRO A 325 15.113 3.755 -5.154 1.00 0.00 C ATOM 499 CG PRO A 325 14.681 2.333 -5.116 1.00 0.00 C ATOM 500 CD PRO A 325 14.206 2.085 -3.709 1.00 0.00 C ATOM 0 HA PRO A 325 14.612 5.342 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.041 4.163 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.151 3.861 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 325 13.884 2.147 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.505 1.667 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.374 1.382 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 325 14.997 1.665 -3.087 1.00 0.00 H new ATOM 508 N PRO A 326 12.954 6.355 -5.180 1.00 0.00 N ATOM 509 CA PRO A 326 11.834 7.040 -5.831 1.00 0.00 C ATOM 510 C PRO A 326 11.686 6.664 -7.304 1.00 0.00 C ATOM 511 O PRO A 326 12.678 6.464 -8.006 1.00 0.00 O ATOM 512 CB PRO A 326 12.196 8.522 -5.702 1.00 0.00 C ATOM 513 CG PRO A 326 13.677 8.545 -5.561 1.00 0.00 C ATOM 514 CD PRO A 326 14.045 7.286 -4.833 1.00 0.00 C ATOM 0 HA PRO A 326 10.882 6.772 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 326 11.874 9.085 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.710 8.973 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.161 8.587 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.002 9.425 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.015 6.906 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.107 7.448 -3.757 1.00 0.00 H new ATOM 522 N LEU A 327 10.445 6.557 -7.751 1.00 0.00 N ATOM 523 CA LEU A 327 10.161 6.265 -9.151 1.00 0.00 C ATOM 524 C LEU A 327 9.984 7.560 -9.919 1.00 0.00 C ATOM 525 O LEU A 327 9.505 8.557 -9.376 1.00 0.00 O ATOM 526 CB LEU A 327 8.890 5.428 -9.276 1.00 0.00 C ATOM 527 CG LEU A 327 8.850 4.142 -8.459 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.526 3.435 -8.678 1.00 0.00 C ATOM 529 CD2 LEU A 327 10.015 3.233 -8.826 1.00 0.00 C ATOM 0 H LEU A 327 9.617 6.668 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 327 10.999 5.703 -9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 327 8.042 6.047 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.750 5.172 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 327 8.943 4.393 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.503 2.516 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.710 4.086 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.413 3.194 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.967 2.321 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.959 2.979 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.955 3.747 -8.626 1.00 0.00 H new ATOM 541 N ARG A 328 10.380 7.544 -11.183 1.00 0.00 N ATOM 542 CA ARG A 328 10.247 8.714 -12.035 1.00 0.00 C ATOM 543 C ARG A 328 8.873 8.746 -12.707 1.00 0.00 C ATOM 544 O ARG A 328 8.339 9.816 -12.992 1.00 0.00 O ATOM 545 CB ARG A 328 11.364 8.719 -13.082 1.00 0.00 C ATOM 546 CG ARG A 328 11.288 7.552 -14.055 1.00 0.00 C ATOM 547 CD ARG A 328 12.492 7.498 -14.974 1.00 0.00 C ATOM 548 NE ARG A 328 12.332 6.475 -16.011 1.00 0.00 N ATOM 549 CZ ARG A 328 13.196 5.480 -16.218 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.258 5.335 -15.434 1.00 0.00 N ATOM 551 NH2 ARG A 328 12.987 4.620 -17.206 1.00 0.00 N ATOM 0 H ARG A 328 10.796 6.733 -11.641 1.00 0.00 H new ATOM 0 HA ARG A 328 10.335 9.609 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.322 9.653 -13.643 1.00 0.00 H new ATOM 0 HB3 ARG A 328 12.328 8.696 -12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 328 11.216 6.619 -13.496 1.00 0.00 H new ATOM 0 HG3 ARG A 328 10.380 7.637 -14.652 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.638 8.472 -15.442 1.00 0.00 H new ATOM 0 HD3 ARG A 328 13.388 7.288 -14.390 1.00 0.00 H new ATOM 0 HE ARG A 328 11.509 6.527 -16.612 1.00 0.00 H new ATOM 0 HH11 ARG A 328 14.418 5.987 -14.666 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.914 4.571 -15.599 1.00 0.00 H new ATOM 0 HH21 ARG A 328 12.167 4.721 -17.805 1.00 0.00 H new ATOM 0 HH22 ARG A 328 13.646 3.858 -17.367 1.00 0.00 H new ATOM 565 N GLU A 329 8.318 7.567 -12.979 1.00 0.00 N ATOM 566 CA GLU A 329 7.030 7.454 -13.663 1.00 0.00 C ATOM 567 C GLU A 329 6.204 6.309 -13.067 1.00 0.00 C ATOM 568 O GLU A 329 6.764 5.357 -12.527 1.00 0.00 O ATOM 569 CB GLU A 329 7.275 7.229 -15.151 1.00 0.00 C ATOM 570 CG GLU A 329 8.203 6.062 -15.447 1.00 0.00 C ATOM 571 CD GLU A 329 8.783 6.109 -16.845 1.00 0.00 C ATOM 572 OE1 GLU A 329 9.781 6.829 -17.054 1.00 0.00 O ATOM 573 OE2 GLU A 329 8.253 5.417 -17.740 1.00 0.00 O ATOM 0 H GLU A 329 8.742 6.672 -12.735 1.00 0.00 H new ATOM 0 HA GLU A 329 6.464 8.376 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.319 7.056 -15.646 1.00 0.00 H new ATOM 0 HB3 GLU A 329 7.698 8.137 -15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.017 6.059 -14.722 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.656 5.128 -15.317 1.00 0.00 H new ATOM 580 N ILE A 330 4.881 6.414 -13.157 1.00 0.00 N ATOM 581 CA ILE A 330 3.999 5.338 -12.712 1.00 0.00 C ATOM 582 C ILE A 330 3.782 4.326 -13.838 1.00 0.00 C ATOM 583 O ILE A 330 3.203 4.658 -14.877 1.00 0.00 O ATOM 584 CB ILE A 330 2.628 5.872 -12.232 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.810 6.771 -11.002 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.684 4.718 -11.907 1.00 0.00 C ATOM 587 CD1 ILE A 330 1.516 7.348 -10.471 1.00 0.00 C ATOM 0 H ILE A 330 4.397 7.230 -13.532 1.00 0.00 H new ATOM 0 HA ILE A 330 4.489 4.853 -11.868 1.00 0.00 H new ATOM 0 HB ILE A 330 2.187 6.461 -13.037 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.292 6.196 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 330 3.484 7.589 -11.258 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.726 5.115 -11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.532 4.110 -12.799 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.118 4.104 -11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 330 1.725 7.972 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.042 7.951 -11.245 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.847 6.537 -10.183 1.00 0.00 H new ATOM 599 N PRO A 331 4.244 3.083 -13.645 1.00 0.00 N ATOM 600 CA PRO A 331 4.172 2.039 -14.664 1.00 0.00 C ATOM 601 C PRO A 331 2.772 1.448 -14.829 1.00 0.00 C ATOM 602 O PRO A 331 1.995 1.363 -13.869 1.00 0.00 O ATOM 603 CB PRO A 331 5.143 0.980 -14.148 1.00 0.00 C ATOM 604 CG PRO A 331 5.106 1.128 -12.664 1.00 0.00 C ATOM 605 CD PRO A 331 4.876 2.593 -12.403 1.00 0.00 C ATOM 0 HA PRO A 331 4.418 2.428 -15.652 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.838 -0.021 -14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.148 1.140 -14.538 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.309 0.524 -12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.041 0.793 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.230 2.748 -11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.812 3.114 -12.199 1.00 0.00 H new ATOM 613 N SER A 332 2.460 1.061 -16.054 1.00 0.00 N ATOM 614 CA SER A 332 1.208 0.392 -16.353 1.00 0.00 C ATOM 615 C SER A 332 1.386 -1.118 -16.269 1.00 0.00 C ATOM 616 O SER A 332 1.986 -1.733 -17.155 1.00 0.00 O ATOM 617 CB SER A 332 0.724 0.786 -17.747 1.00 0.00 C ATOM 618 OG SER A 332 0.672 2.198 -17.888 1.00 0.00 O ATOM 0 H SER A 332 3.064 1.201 -16.864 1.00 0.00 H new ATOM 0 HA SER A 332 0.462 0.699 -15.620 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.391 0.366 -18.500 1.00 0.00 H new ATOM 0 HB3 SER A 332 -0.264 0.363 -17.926 1.00 0.00 H new ATOM 0 HG SER A 332 0.361 2.426 -18.789 1.00 0.00 H new ATOM 624 N GLY A 333 0.883 -1.708 -15.199 1.00 0.00 N ATOM 625 CA GLY A 333 0.993 -3.139 -15.021 1.00 0.00 C ATOM 626 C GLY A 333 1.181 -3.518 -13.570 1.00 0.00 C ATOM 627 O GLY A 333 0.602 -2.893 -12.678 1.00 0.00 O ATOM 0 H GLY A 333 0.398 -1.219 -14.446 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.096 -3.622 -15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 333 1.834 -3.513 -15.605 1.00 0.00 H new ATOM 631 N THR A 334 1.996 -4.530 -13.334 1.00 0.00 N ATOM 632 CA THR A 334 2.238 -5.009 -11.985 1.00 0.00 C ATOM 633 C THR A 334 3.513 -4.402 -11.419 1.00 0.00 C ATOM 634 O THR A 334 4.618 -4.719 -11.860 1.00 0.00 O ATOM 635 CB THR A 334 2.322 -6.545 -11.956 1.00 0.00 C ATOM 636 OG1 THR A 334 3.228 -7.014 -12.963 1.00 0.00 O ATOM 637 CG2 THR A 334 0.952 -7.167 -12.167 1.00 0.00 C ATOM 0 H THR A 334 2.502 -5.037 -14.060 1.00 0.00 H new ATOM 0 HA THR A 334 1.399 -4.698 -11.363 1.00 0.00 H new ATOM 0 HB THR A 334 2.692 -6.843 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.049 -6.479 -12.939 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.038 -8.253 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.277 -6.838 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.556 -6.856 -13.134 1.00 0.00 H new ATOM 645 N TRP A 335 3.353 -3.514 -10.444 1.00 0.00 N ATOM 646 CA TRP A 335 4.485 -2.875 -9.792 1.00 0.00 C ATOM 647 C TRP A 335 4.721 -3.515 -8.428 1.00 0.00 C ATOM 648 O TRP A 335 3.777 -3.733 -7.672 1.00 0.00 O ATOM 649 CB TRP A 335 4.240 -1.370 -9.632 1.00 0.00 C ATOM 650 CG TRP A 335 5.306 -0.675 -8.839 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.571 -0.375 -9.253 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.203 -0.204 -7.489 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.264 0.245 -8.238 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.443 0.366 -7.146 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.184 -0.213 -6.533 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.689 0.921 -5.901 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.430 0.344 -5.292 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.674 0.905 -4.983 1.00 0.00 C ATOM 0 H TRP A 335 2.443 -3.220 -10.088 1.00 0.00 H new ATOM 0 HA TRP A 335 5.370 -3.013 -10.414 1.00 0.00 H new ATOM 0 HB2 TRP A 335 4.176 -0.913 -10.619 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.277 -1.216 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.970 -0.592 -10.233 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.232 0.563 -8.290 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.221 -0.647 -6.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.650 1.352 -5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.648 0.346 -4.547 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.836 1.332 -4.004 1.00 0.00 H new ATOM 669 N ARG A 336 5.980 -3.786 -8.111 1.00 0.00 N ATOM 670 CA ARG A 336 6.324 -4.460 -6.870 1.00 0.00 C ATOM 671 C ARG A 336 7.191 -3.541 -6.022 1.00 0.00 C ATOM 672 O ARG A 336 8.208 -3.029 -6.488 1.00 0.00 O ATOM 673 CB ARG A 336 7.066 -5.767 -7.166 1.00 0.00 C ATOM 674 CG ARG A 336 6.322 -6.686 -8.114 1.00 0.00 C ATOM 675 CD ARG A 336 7.084 -7.973 -8.378 1.00 0.00 C ATOM 676 NE ARG A 336 6.938 -8.933 -7.285 1.00 0.00 N ATOM 677 CZ ARG A 336 7.938 -9.650 -6.780 1.00 0.00 C ATOM 678 NH1 ARG A 336 9.188 -9.454 -7.195 1.00 0.00 N ATOM 679 NH2 ARG A 336 7.687 -10.556 -5.851 1.00 0.00 N ATOM 0 H ARG A 336 6.780 -3.548 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 336 5.412 -4.699 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.042 -5.533 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.245 -6.294 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.344 -6.924 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 336 6.147 -6.169 -9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 336 6.726 -8.422 -9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 336 8.140 -7.745 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 336 6.009 -9.061 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 336 9.385 -8.749 -7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.949 -10.008 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 336 6.731 -10.702 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 336 8.449 -11.109 -5.459 1.00 0.00 H new ATOM 693 N CYS A 337 6.778 -3.317 -4.795 1.00 0.00 N ATOM 694 CA CYS A 337 7.496 -2.413 -3.907 1.00 0.00 C ATOM 695 C CYS A 337 8.683 -3.116 -3.251 1.00 0.00 C ATOM 696 O CYS A 337 8.987 -4.267 -3.577 1.00 0.00 O ATOM 697 CB CYS A 337 6.556 -1.854 -2.837 1.00 0.00 C ATOM 698 SG CYS A 337 5.803 -3.119 -1.769 1.00 0.00 S ATOM 0 H CYS A 337 5.949 -3.746 -4.383 1.00 0.00 H new ATOM 0 HA CYS A 337 7.878 -1.587 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.110 -1.152 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.763 -1.289 -3.326 1.00 0.00 H new ATOM 0 HG CYS A 337 5.008 -3.867 -2.476 1.00 0.00 H new ATOM 703 N SER A 338 9.333 -2.435 -2.313 1.00 0.00 N ATOM 704 CA SER A 338 10.530 -2.959 -1.675 1.00 0.00 C ATOM 705 C SER A 338 10.241 -4.279 -0.964 1.00 0.00 C ATOM 706 O SER A 338 11.049 -5.203 -1.013 1.00 0.00 O ATOM 707 CB SER A 338 11.062 -1.931 -0.679 1.00 0.00 C ATOM 708 OG SER A 338 11.087 -0.639 -1.269 1.00 0.00 O ATOM 0 H SER A 338 9.047 -1.515 -1.978 1.00 0.00 H new ATOM 0 HA SER A 338 11.280 -3.150 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 338 10.434 -1.919 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.065 -2.211 -0.358 1.00 0.00 H new ATOM 0 HG SER A 338 11.428 0.011 -0.620 1.00 0.00 H new ATOM 714 N SER A 339 9.084 -4.359 -0.320 1.00 0.00 N ATOM 715 CA SER A 339 8.647 -5.579 0.359 1.00 0.00 C ATOM 716 C SER A 339 8.654 -6.780 -0.601 1.00 0.00 C ATOM 717 O SER A 339 9.089 -7.872 -0.231 1.00 0.00 O ATOM 718 CB SER A 339 7.252 -5.362 0.940 1.00 0.00 C ATOM 719 OG SER A 339 7.214 -4.167 1.704 1.00 0.00 O ATOM 0 H SER A 339 8.422 -3.586 -0.252 1.00 0.00 H new ATOM 0 HA SER A 339 9.344 -5.801 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.520 -5.309 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.976 -6.210 1.566 1.00 0.00 H new ATOM 0 HG SER A 339 6.313 -4.040 2.069 1.00 0.00 H new ATOM 725 N CYS A 340 8.183 -6.573 -1.822 1.00 0.00 N ATOM 726 CA CYS A 340 8.180 -7.630 -2.836 1.00 0.00 C ATOM 727 C CYS A 340 9.593 -7.921 -3.340 1.00 0.00 C ATOM 728 O CYS A 340 9.906 -9.047 -3.729 1.00 0.00 O ATOM 729 CB CYS A 340 7.270 -7.242 -4.008 1.00 0.00 C ATOM 730 SG CYS A 340 5.510 -7.130 -3.558 1.00 0.00 S ATOM 0 H CYS A 340 7.797 -5.684 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 340 7.794 -8.537 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.596 -6.282 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.386 -7.976 -4.806 1.00 0.00 H new ATOM 0 HG CYS A 340 4.896 -6.350 -4.398 1.00 0.00 H new ATOM 735 N LEU A 341 10.449 -6.909 -3.316 1.00 0.00 N ATOM 736 CA LEU A 341 11.839 -7.076 -3.731 1.00 0.00 C ATOM 737 C LEU A 341 12.624 -7.869 -2.693 1.00 0.00 C ATOM 738 O LEU A 341 13.405 -8.751 -3.034 1.00 0.00 O ATOM 739 CB LEU A 341 12.500 -5.714 -3.958 1.00 0.00 C ATOM 740 CG LEU A 341 11.871 -4.858 -5.063 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.588 -3.520 -5.171 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.911 -5.596 -6.389 1.00 0.00 C ATOM 0 H LEU A 341 10.208 -5.965 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 341 11.845 -7.631 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.469 -5.153 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.551 -5.874 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 341 10.829 -4.668 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 341 12.129 -2.924 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.510 -2.988 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.639 -3.688 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.461 -4.976 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.946 -5.813 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.355 -6.530 -6.303 1.00 0.00 H new