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 158:sc= -0.855! USER MOD Set 1.2: A 302 CYS SG : rot -48:sc= -1.24! USER MOD Set 1.3: A 319 HIS : no HD1:sc= 1.05 K(o=-3,f=-8.5!) USER MOD Set 1.4: A 322 CYS SG : rot 180:sc= -1.99! USER MOD Set 2.1: A 311 CYS SG : rot -151:sc= -0.453! USER MOD Set 2.2: A 314 CYS SG : rot 110:sc= 1.36 USER MOD Set 2.3: A 337 CYS SG : rot -67:sc= 0.558 USER MOD Set 2.4: A 339 SER OG : rot 180:sc= 0 USER MOD Set 2.5: A 340 CYS SG : rot 136:sc= 2.68 USER MOD Single : A 295 ASN : amide:sc=-0.00458 X(o=-0.0046,f=-0.046) USER MOD Single : A 310 CYS SG : rot -57:sc= -2.11! 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 38:sc= 0.693 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0049 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.369 -1.757 -1.369 1.00 0.00 N ATOM 86 CA ASN A 295 -5.166 -0.947 -1.425 1.00 0.00 C ATOM 87 C ASN A 295 -5.310 0.212 -0.453 1.00 0.00 C ATOM 88 O ASN A 295 -6.365 0.846 -0.382 1.00 0.00 O ATOM 89 CB ASN A 295 -4.884 -0.440 -2.846 1.00 0.00 C ATOM 90 CG ASN A 295 -5.948 0.494 -3.389 1.00 0.00 C ATOM 91 OD1 ASN A 295 -5.913 1.702 -3.156 1.00 0.00 O ATOM 92 ND2 ASN A 295 -6.883 -0.052 -4.150 1.00 0.00 N ATOM 0 HA ASN A 295 -4.313 -1.563 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.924 0.076 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.791 -1.296 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -7.608 0.533 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.879 -1.058 -4.320 1.00 0.00 H new ATOM 99 N GLU A 296 -4.272 0.461 0.318 1.00 0.00 N ATOM 100 CA GLU A 296 -4.327 1.481 1.346 1.00 0.00 C ATOM 101 C GLU A 296 -4.177 2.860 0.719 1.00 0.00 C ATOM 102 O GLU A 296 -3.292 3.085 -0.098 1.00 0.00 O ATOM 103 CB GLU A 296 -3.238 1.242 2.390 1.00 0.00 C ATOM 104 CG GLU A 296 -3.423 2.069 3.643 1.00 0.00 C ATOM 105 CD GLU A 296 -4.804 1.886 4.243 1.00 0.00 C ATOM 106 OE1 GLU A 296 -5.012 0.899 4.983 1.00 0.00 O ATOM 107 OE2 GLU A 296 -5.691 2.712 3.951 1.00 0.00 O ATOM 0 H GLU A 296 -3.380 -0.029 0.253 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.295 1.429 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -3.226 0.186 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.267 1.471 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -2.668 1.789 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.265 3.122 3.410 1.00 0.00 H new ATOM 114 N ASP A 297 -5.039 3.779 1.117 1.00 0.00 N ATOM 115 CA ASP A 297 -5.017 5.126 0.552 1.00 0.00 C ATOM 116 C ASP A 297 -4.164 6.050 1.403 1.00 0.00 C ATOM 117 O ASP A 297 -4.389 7.263 1.435 1.00 0.00 O ATOM 118 CB ASP A 297 -6.433 5.692 0.419 1.00 0.00 C ATOM 119 CG ASP A 297 -7.152 5.165 -0.804 1.00 0.00 C ATOM 120 OD1 ASP A 297 -6.798 5.580 -1.925 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.075 4.337 -0.654 1.00 0.00 O ATOM 0 H ASP A 297 -5.759 3.624 1.823 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.579 5.061 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.007 5.441 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.383 6.780 0.367 1.00 0.00 H new ATOM 126 N GLU A 298 -3.159 5.484 2.043 1.00 0.00 N ATOM 127 CA GLU A 298 -2.261 6.240 2.894 1.00 0.00 C ATOM 128 C GLU A 298 -0.826 5.943 2.482 1.00 0.00 C ATOM 129 O GLU A 298 -0.458 4.781 2.324 1.00 0.00 O ATOM 130 CB GLU A 298 -2.456 5.852 4.365 1.00 0.00 C ATOM 131 CG GLU A 298 -3.846 6.130 4.916 1.00 0.00 C ATOM 132 CD GLU A 298 -4.141 7.609 5.025 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.402 8.313 5.746 1.00 0.00 O ATOM 134 OE2 GLU A 298 -5.116 8.078 4.405 1.00 0.00 O ATOM 0 H GLU A 298 -2.942 4.489 1.988 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.476 7.303 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.241 4.789 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.726 6.391 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.589 5.661 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -3.942 5.670 5.900 1.00 0.00 H new ATOM 141 N CYS A 299 -0.026 6.975 2.288 1.00 0.00 N ATOM 142 CA CYS A 299 1.375 6.783 1.951 1.00 0.00 C ATOM 143 C CYS A 299 2.149 6.306 3.169 1.00 0.00 C ATOM 144 O CYS A 299 2.307 7.047 4.142 1.00 0.00 O ATOM 145 CB CYS A 299 1.996 8.071 1.410 1.00 0.00 C ATOM 146 SG CYS A 299 3.762 7.917 0.988 1.00 0.00 S ATOM 0 H CYS A 299 -0.318 7.950 2.357 1.00 0.00 H new ATOM 0 HA CYS A 299 1.430 6.024 1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.446 8.383 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.877 8.860 2.152 1.00 0.00 H new ATOM 0 HG CYS A 299 4.086 8.841 0.133 1.00 0.00 H new ATOM 151 N ALA A 300 2.619 5.066 3.111 1.00 0.00 N ATOM 152 CA ALA A 300 3.401 4.465 4.199 1.00 0.00 C ATOM 153 C ALA A 300 4.656 5.279 4.539 1.00 0.00 C ATOM 154 O ALA A 300 5.324 5.009 5.530 1.00 0.00 O ATOM 155 CB ALA A 300 3.786 3.041 3.834 1.00 0.00 C ATOM 0 H ALA A 300 2.473 4.446 2.314 1.00 0.00 H new ATOM 0 HA ALA A 300 2.770 4.462 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.366 2.601 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.884 2.451 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.384 3.048 2.923 1.00 0.00 H new ATOM 161 N VAL A 301 4.980 6.265 3.716 1.00 0.00 N ATOM 162 CA VAL A 301 6.122 7.125 3.986 1.00 0.00 C ATOM 163 C VAL A 301 5.728 8.304 4.878 1.00 0.00 C ATOM 164 O VAL A 301 6.175 8.404 6.023 1.00 0.00 O ATOM 165 CB VAL A 301 6.748 7.660 2.676 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.949 8.545 2.976 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.144 6.512 1.759 1.00 0.00 C ATOM 0 H VAL A 301 4.472 6.489 2.860 1.00 0.00 H new ATOM 0 HA VAL A 301 6.861 6.516 4.507 1.00 0.00 H new ATOM 0 HB VAL A 301 5.998 8.263 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.374 8.911 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.634 9.391 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.700 7.968 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.582 6.911 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.873 5.878 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.261 5.923 1.511 1.00 0.00 H new ATOM 177 N CYS A 302 4.859 9.172 4.373 1.00 0.00 N ATOM 178 CA CYS A 302 4.571 10.437 5.047 1.00 0.00 C ATOM 179 C CYS A 302 3.191 10.459 5.707 1.00 0.00 C ATOM 180 O CYS A 302 2.834 11.438 6.360 1.00 0.00 O ATOM 181 CB CYS A 302 4.675 11.580 4.040 1.00 0.00 C ATOM 182 SG CYS A 302 3.750 11.283 2.499 1.00 0.00 S ATOM 0 H CYS A 302 4.343 9.027 3.505 1.00 0.00 H new ATOM 0 HA CYS A 302 5.306 10.555 5.843 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.308 12.496 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.725 11.745 3.797 1.00 0.00 H new ATOM 0 HG CYS A 302 4.023 10.094 2.051 1.00 0.00 H new ATOM 187 N ARG A 303 2.435 9.367 5.559 1.00 0.00 N ATOM 188 CA ARG A 303 1.055 9.290 6.065 1.00 0.00 C ATOM 189 C ARG A 303 0.137 10.280 5.342 1.00 0.00 C ATOM 190 O ARG A 303 -0.868 10.718 5.902 1.00 0.00 O ATOM 191 CB ARG A 303 0.982 9.528 7.576 1.00 0.00 C ATOM 192 CG ARG A 303 1.382 8.329 8.421 1.00 0.00 C ATOM 193 CD ARG A 303 2.860 7.998 8.302 1.00 0.00 C ATOM 194 NE ARG A 303 3.261 6.990 9.274 1.00 0.00 N ATOM 195 CZ ARG A 303 4.294 6.164 9.128 1.00 0.00 C ATOM 196 NH1 ARG A 303 5.074 6.251 8.055 1.00 0.00 N ATOM 197 NH2 ARG A 303 4.552 5.262 10.059 1.00 0.00 N ATOM 0 H ARG A 303 2.754 8.519 5.091 1.00 0.00 H new ATOM 0 HA ARG A 303 0.710 8.276 5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.628 10.368 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.036 9.818 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.141 8.528 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 303 0.794 7.463 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 303 3.074 7.639 7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 303 3.450 8.903 8.450 1.00 0.00 H new ATOM 0 HE ARG A 303 2.710 6.912 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 303 4.882 6.953 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 303 5.865 5.616 7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 303 3.960 5.200 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 303 5.343 4.628 9.949 1.00 0.00 H new ATOM 211 N ASP A 304 0.493 10.636 4.119 1.00 0.00 N ATOM 212 CA ASP A 304 -0.327 11.528 3.306 1.00 0.00 C ATOM 213 C ASP A 304 -0.934 10.761 2.142 1.00 0.00 C ATOM 214 O ASP A 304 -0.558 9.614 1.888 1.00 0.00 O ATOM 215 CB ASP A 304 0.504 12.697 2.772 1.00 0.00 C ATOM 216 CG ASP A 304 0.837 13.717 3.843 1.00 0.00 C ATOM 217 OD1 ASP A 304 1.825 13.524 4.573 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.110 14.729 3.949 1.00 0.00 O ATOM 0 H ASP A 304 1.349 10.321 3.662 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.124 11.925 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.429 12.313 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.042 13.188 1.966 1.00 0.00 H new ATOM 223 N GLY A 305 -1.872 11.381 1.441 1.00 0.00 N ATOM 224 CA GLY A 305 -2.484 10.738 0.300 1.00 0.00 C ATOM 225 C GLY A 305 -2.288 11.534 -0.967 1.00 0.00 C ATOM 226 O GLY A 305 -1.411 12.397 -1.032 1.00 0.00 O ATOM 0 H GLY A 305 -2.219 12.318 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.058 9.743 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.550 10.608 0.485 1.00 0.00 H new ATOM 230 N GLY A 306 -3.103 11.257 -1.975 1.00 0.00 N ATOM 231 CA GLY A 306 -2.986 11.959 -3.233 1.00 0.00 C ATOM 232 C GLY A 306 -2.725 11.019 -4.392 1.00 0.00 C ATOM 233 O GLY A 306 -3.386 9.983 -4.515 1.00 0.00 O ATOM 0 H GLY A 306 -3.844 10.557 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -3.902 12.519 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.176 12.686 -3.167 1.00 0.00 H new ATOM 237 N GLU A 307 -1.758 11.365 -5.226 1.00 0.00 N ATOM 238 CA GLU A 307 -1.389 10.522 -6.358 1.00 0.00 C ATOM 239 C GLU A 307 -0.500 9.383 -5.866 1.00 0.00 C ATOM 240 O GLU A 307 0.724 9.417 -6.006 1.00 0.00 O ATOM 241 CB GLU A 307 -0.678 11.343 -7.437 1.00 0.00 C ATOM 242 CG GLU A 307 -0.461 10.593 -8.742 1.00 0.00 C ATOM 243 CD GLU A 307 0.118 11.479 -9.821 1.00 0.00 C ATOM 244 OE1 GLU A 307 -0.631 12.314 -10.376 1.00 0.00 O ATOM 245 OE2 GLU A 307 1.326 11.365 -10.115 1.00 0.00 O ATOM 0 H GLU A 307 -1.213 12.223 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.291 10.104 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 307 -1.261 12.241 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.288 11.670 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 307 0.209 9.751 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.410 10.180 -9.084 1.00 0.00 H new ATOM 252 N LEU A 308 -1.135 8.391 -5.273 1.00 0.00 N ATOM 253 CA LEU A 308 -0.434 7.256 -4.716 1.00 0.00 C ATOM 254 C LEU A 308 -0.336 6.124 -5.718 1.00 0.00 C ATOM 255 O LEU A 308 -1.172 6.003 -6.624 1.00 0.00 O ATOM 256 CB LEU A 308 -1.153 6.755 -3.461 1.00 0.00 C ATOM 257 CG LEU A 308 -1.140 7.713 -2.272 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.043 7.193 -1.166 1.00 0.00 C ATOM 259 CD2 LEU A 308 0.277 7.889 -1.757 1.00 0.00 C ATOM 0 H LEU A 308 -2.148 8.351 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 308 0.573 7.584 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.189 6.537 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -0.697 5.814 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.516 8.682 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.024 7.886 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.063 7.105 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -1.691 6.215 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 308 0.274 8.574 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.672 6.923 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.904 8.296 -2.550 1.00 0.00 H new ATOM 271 N ILE A 309 0.681 5.306 -5.567 1.00 0.00 N ATOM 272 CA ILE A 309 0.823 4.102 -6.355 1.00 0.00 C ATOM 273 C ILE A 309 0.917 2.906 -5.422 1.00 0.00 C ATOM 274 O ILE A 309 1.803 2.845 -4.567 1.00 0.00 O ATOM 275 CB ILE A 309 2.057 4.162 -7.300 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.239 2.826 -8.033 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.320 4.533 -6.532 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.394 2.821 -9.013 1.00 0.00 C ATOM 0 H ILE A 309 1.433 5.456 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.055 4.004 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 309 1.877 4.941 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.395 2.037 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.320 2.587 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.166 4.567 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.190 5.510 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.509 3.787 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.460 1.844 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.231 3.587 -9.771 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.323 3.028 -8.482 1.00 0.00 H new ATOM 290 N CYS A 310 -0.026 1.985 -5.533 1.00 0.00 N ATOM 291 CA CYS A 310 -0.056 0.824 -4.659 1.00 0.00 C ATOM 292 C CYS A 310 0.675 -0.333 -5.315 1.00 0.00 C ATOM 293 O CYS A 310 0.573 -0.549 -6.526 1.00 0.00 O ATOM 294 CB CYS A 310 -1.504 0.425 -4.372 1.00 0.00 C ATOM 295 SG CYS A 310 -1.674 -1.032 -3.313 1.00 0.00 S ATOM 0 H CYS A 310 -0.780 2.019 -6.219 1.00 0.00 H new ATOM 0 HA CYS A 310 0.438 1.073 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.014 1.265 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.011 0.234 -5.318 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.058 -2.039 -3.858 1.00 0.00 H new ATOM 301 N CYS A 311 1.435 -1.061 -4.504 1.00 0.00 N ATOM 302 CA CYS A 311 2.131 -2.243 -4.976 1.00 0.00 C ATOM 303 C CYS A 311 1.134 -3.301 -5.446 1.00 0.00 C ATOM 304 O CYS A 311 0.027 -3.392 -4.913 1.00 0.00 O ATOM 305 CB CYS A 311 3.018 -2.799 -3.871 1.00 0.00 C ATOM 306 SG CYS A 311 3.990 -4.262 -4.348 1.00 0.00 S ATOM 0 H CYS A 311 1.582 -0.850 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 311 2.758 -1.966 -5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.701 -2.016 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.393 -3.057 -3.016 1.00 0.00 H new ATOM 0 HG CYS A 311 4.203 -5.002 -3.301 1.00 0.00 H new ATOM 311 N ASP A 312 1.531 -4.081 -6.447 1.00 0.00 N ATOM 312 CA ASP A 312 0.629 -5.039 -7.092 1.00 0.00 C ATOM 313 C ASP A 312 -0.067 -5.945 -6.077 1.00 0.00 C ATOM 314 O ASP A 312 -1.293 -5.913 -5.946 1.00 0.00 O ATOM 315 CB ASP A 312 1.381 -5.892 -8.119 1.00 0.00 C ATOM 316 CG ASP A 312 0.428 -6.651 -9.017 1.00 0.00 C ATOM 317 OD1 ASP A 312 -0.006 -6.076 -10.037 1.00 0.00 O ATOM 318 OD2 ASP A 312 0.094 -7.814 -8.711 1.00 0.00 O ATOM 0 H ASP A 312 2.475 -4.071 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.137 -4.456 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 312 2.022 -5.252 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 312 2.033 -6.596 -7.601 1.00 0.00 H new ATOM 323 N GLY A 313 0.709 -6.757 -5.373 1.00 0.00 N ATOM 324 CA GLY A 313 0.131 -7.651 -4.389 1.00 0.00 C ATOM 325 C GLY A 313 0.226 -7.126 -2.968 1.00 0.00 C ATOM 326 O GLY A 313 -0.221 -7.784 -2.028 1.00 0.00 O ATOM 0 H GLY A 313 1.723 -6.813 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -0.917 -7.822 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 313 0.634 -8.616 -4.446 1.00 0.00 H new ATOM 330 N CYS A 314 0.804 -5.947 -2.801 1.00 0.00 N ATOM 331 CA CYS A 314 0.960 -5.357 -1.475 1.00 0.00 C ATOM 332 C CYS A 314 0.155 -4.071 -1.372 1.00 0.00 C ATOM 333 O CYS A 314 0.352 -3.149 -2.161 1.00 0.00 O ATOM 334 CB CYS A 314 2.432 -5.092 -1.161 1.00 0.00 C ATOM 335 SG CYS A 314 3.426 -6.603 -0.964 1.00 0.00 S ATOM 0 H CYS A 314 1.173 -5.379 -3.563 1.00 0.00 H new ATOM 0 HA CYS A 314 0.582 -6.068 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.861 -4.488 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.498 -4.503 -0.246 1.00 0.00 H new ATOM 0 HG CYS A 314 4.242 -6.720 -1.969 1.00 0.00 H new ATOM 340 N PRO A 315 -0.748 -3.986 -0.381 1.00 0.00 N ATOM 341 CA PRO A 315 -1.671 -2.850 -0.235 1.00 0.00 C ATOM 342 C PRO A 315 -0.981 -1.542 0.156 1.00 0.00 C ATOM 343 O PRO A 315 -1.629 -0.502 0.240 1.00 0.00 O ATOM 344 CB PRO A 315 -2.618 -3.302 0.881 1.00 0.00 C ATOM 345 CG PRO A 315 -1.844 -4.302 1.660 1.00 0.00 C ATOM 346 CD PRO A 315 -0.950 -4.999 0.674 1.00 0.00 C ATOM 0 HA PRO A 315 -2.163 -2.623 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.920 -2.462 1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.529 -3.739 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.259 -3.818 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.509 -5.012 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.006 -5.298 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.414 -5.903 0.280 1.00 0.00 H new ATOM 354 N ARG A 316 0.322 -1.601 0.424 1.00 0.00 N ATOM 355 CA ARG A 316 1.077 -0.408 0.792 1.00 0.00 C ATOM 356 C ARG A 316 1.182 0.557 -0.381 1.00 0.00 C ATOM 357 O ARG A 316 1.636 0.187 -1.472 1.00 0.00 O ATOM 358 CB ARG A 316 2.477 -0.763 1.290 1.00 0.00 C ATOM 359 CG ARG A 316 2.478 -1.541 2.598 1.00 0.00 C ATOM 360 CD ARG A 316 3.587 -1.071 3.525 1.00 0.00 C ATOM 361 NE ARG A 316 4.930 -1.308 2.991 1.00 0.00 N ATOM 362 CZ ARG A 316 5.739 -2.275 3.438 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.296 -3.147 4.327 1.00 0.00 N ATOM 364 NH2 ARG A 316 6.987 -2.367 2.986 1.00 0.00 N ATOM 0 H ARG A 316 0.874 -2.458 0.393 1.00 0.00 H new ATOM 0 HA ARG A 316 0.533 0.076 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.987 -1.351 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 316 3.050 0.155 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.514 -1.423 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 316 2.602 -2.604 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.463 -0.005 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.490 -1.581 4.484 1.00 0.00 H new ATOM 0 HE ARG A 316 5.266 -0.705 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.338 -3.082 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 316 5.912 -3.885 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 316 7.330 -1.699 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 316 7.601 -3.106 3.329 1.00 0.00 H new ATOM 378 N ALA A 317 0.762 1.793 -0.154 1.00 0.00 N ATOM 379 CA ALA A 317 0.827 2.827 -1.173 1.00 0.00 C ATOM 380 C ALA A 317 1.937 3.818 -0.861 1.00 0.00 C ATOM 381 O ALA A 317 2.273 4.056 0.307 1.00 0.00 O ATOM 382 CB ALA A 317 -0.505 3.544 -1.291 1.00 0.00 C ATOM 0 H ALA A 317 0.370 2.104 0.735 1.00 0.00 H new ATOM 0 HA ALA A 317 1.049 2.351 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.437 4.315 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.281 2.828 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.756 4.005 -0.336 1.00 0.00 H new ATOM 388 N PHE A 318 2.492 4.392 -1.912 1.00 0.00 N ATOM 389 CA PHE A 318 3.611 5.319 -1.794 1.00 0.00 C ATOM 390 C PHE A 318 3.480 6.421 -2.833 1.00 0.00 C ATOM 391 O PHE A 318 2.790 6.250 -3.837 1.00 0.00 O ATOM 392 CB PHE A 318 4.942 4.583 -2.003 1.00 0.00 C ATOM 393 CG PHE A 318 5.164 3.426 -1.059 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.704 3.631 0.196 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.830 2.135 -1.436 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.906 2.570 1.060 1.00 0.00 C ATOM 397 CE2 PHE A 318 5.029 1.071 -0.575 1.00 0.00 C ATOM 398 CZ PHE A 318 5.567 1.288 0.674 1.00 0.00 C ATOM 0 H PHE A 318 2.184 4.232 -2.871 1.00 0.00 H new ATOM 0 HA PHE A 318 3.596 5.752 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.983 4.214 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.760 5.294 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.971 4.631 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.409 1.957 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.330 2.744 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.763 0.070 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.723 0.459 1.349 1.00 0.00 H new ATOM 408 N HIS A 319 4.118 7.556 -2.578 1.00 0.00 N ATOM 409 CA HIS A 319 4.203 8.619 -3.565 1.00 0.00 C ATOM 410 C HIS A 319 5.421 8.388 -4.448 1.00 0.00 C ATOM 411 O HIS A 319 6.393 7.781 -4.000 1.00 0.00 O ATOM 412 CB HIS A 319 4.307 10.001 -2.908 1.00 0.00 C ATOM 413 CG HIS A 319 3.046 10.478 -2.253 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.930 10.541 -0.891 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.900 10.935 -2.812 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.726 11.030 -0.648 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.067 11.283 -1.776 1.00 0.00 N ATOM 0 H HIS A 319 4.584 7.762 -1.694 1.00 0.00 H new ATOM 0 HA HIS A 319 3.290 8.599 -4.160 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.101 9.975 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.605 10.727 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.683 11.011 -3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.328 11.202 0.341 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.124 11.663 -1.856 1.00 0.00 H new ATOM 425 N LEU A 320 5.375 8.866 -5.681 1.00 0.00 N ATOM 426 CA LEU A 320 6.436 8.605 -6.652 1.00 0.00 C ATOM 427 C LEU A 320 7.812 8.994 -6.115 1.00 0.00 C ATOM 428 O LEU A 320 8.713 8.156 -6.041 1.00 0.00 O ATOM 429 CB LEU A 320 6.157 9.353 -7.966 1.00 0.00 C ATOM 430 CG LEU A 320 4.894 8.914 -8.703 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.715 9.735 -9.971 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.955 7.431 -9.039 1.00 0.00 C ATOM 0 H LEU A 320 4.612 9.440 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 320 6.444 7.531 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.082 10.419 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.011 9.221 -8.630 1.00 0.00 H new ATOM 0 HG LEU A 320 4.038 9.082 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.811 9.413 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.629 10.790 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.577 9.591 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.045 7.139 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.819 7.237 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.045 6.853 -8.119 1.00 0.00 H new ATOM 444 N ALA A 321 7.961 10.251 -5.713 1.00 0.00 N ATOM 445 CA ALA A 321 9.247 10.766 -5.250 1.00 0.00 C ATOM 446 C ALA A 321 9.587 10.280 -3.848 1.00 0.00 C ATOM 447 O ALA A 321 10.748 10.310 -3.434 1.00 0.00 O ATOM 448 CB ALA A 321 9.247 12.285 -5.281 1.00 0.00 C ATOM 0 H ALA A 321 7.205 10.936 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 321 10.011 10.385 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.211 12.656 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.072 12.628 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.457 12.662 -4.631 1.00 0.00 H new ATOM 454 N CYS A 322 8.581 9.838 -3.104 1.00 0.00 N ATOM 455 CA CYS A 322 8.799 9.347 -1.758 1.00 0.00 C ATOM 456 C CYS A 322 9.375 7.938 -1.785 1.00 0.00 C ATOM 457 O CYS A 322 10.005 7.488 -0.822 1.00 0.00 O ATOM 458 CB CYS A 322 7.495 9.368 -0.957 1.00 0.00 C ATOM 459 SG CYS A 322 6.817 11.038 -0.680 1.00 0.00 S ATOM 0 H CYS A 322 7.609 9.811 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 322 9.517 10.006 -1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.751 8.768 -1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.667 8.893 0.009 1.00 0.00 H new ATOM 0 HG CYS A 322 5.714 10.951 0.003 1.00 0.00 H new ATOM 464 N LEU A 323 9.141 7.240 -2.890 1.00 0.00 N ATOM 465 CA LEU A 323 9.704 5.918 -3.094 1.00 0.00 C ATOM 466 C LEU A 323 11.227 6.016 -3.182 1.00 0.00 C ATOM 467 O LEU A 323 11.765 7.031 -3.610 1.00 0.00 O ATOM 468 CB LEU A 323 9.132 5.321 -4.390 1.00 0.00 C ATOM 469 CG LEU A 323 8.889 3.803 -4.398 1.00 0.00 C ATOM 470 CD1 LEU A 323 10.195 3.023 -4.421 1.00 0.00 C ATOM 471 CD2 LEU A 323 8.052 3.404 -3.195 1.00 0.00 C ATOM 0 H LEU A 323 8.561 7.573 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 323 9.444 5.271 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 323 8.187 5.819 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.813 5.562 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 323 8.346 3.556 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 323 9.980 1.954 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 323 10.759 3.284 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 323 10.782 3.271 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 323 7.885 2.327 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.577 3.678 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.093 3.920 -3.232 1.00 0.00 H new ATOM 483 N SER A 324 11.918 4.978 -2.739 1.00 0.00 N ATOM 484 CA SER A 324 13.359 4.902 -2.890 1.00 0.00 C ATOM 485 C SER A 324 13.724 3.553 -3.502 1.00 0.00 C ATOM 486 O SER A 324 13.543 2.515 -2.859 1.00 0.00 O ATOM 487 CB SER A 324 14.045 5.086 -1.531 1.00 0.00 C ATOM 488 OG SER A 324 15.459 5.047 -1.656 1.00 0.00 O ATOM 0 H SER A 324 11.500 4.174 -2.270 1.00 0.00 H new ATOM 0 HA SER A 324 13.702 5.699 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.743 6.038 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.717 4.303 -0.847 1.00 0.00 H new ATOM 0 HG SER A 324 15.869 5.168 -0.774 1.00 0.00 H new ATOM 494 N PRO A 325 14.224 3.535 -4.756 1.00 0.00 N ATOM 495 CA PRO A 325 14.475 4.748 -5.545 1.00 0.00 C ATOM 496 C PRO A 325 13.187 5.396 -6.067 1.00 0.00 C ATOM 497 O PRO A 325 12.227 4.704 -6.406 1.00 0.00 O ATOM 498 CB PRO A 325 15.318 4.229 -6.710 1.00 0.00 C ATOM 499 CG PRO A 325 14.911 2.807 -6.874 1.00 0.00 C ATOM 500 CD PRO A 325 14.582 2.308 -5.491 1.00 0.00 C ATOM 0 HA PRO A 325 14.956 5.526 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.130 4.801 -7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.383 4.313 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.049 2.722 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.714 2.220 -7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.757 1.595 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.432 1.801 -5.035 1.00 0.00 H new ATOM 508 N PRO A 326 13.169 6.740 -6.133 1.00 0.00 N ATOM 509 CA PRO A 326 11.984 7.512 -6.534 1.00 0.00 C ATOM 510 C PRO A 326 11.549 7.227 -7.961 1.00 0.00 C ATOM 511 O PRO A 326 12.350 7.299 -8.900 1.00 0.00 O ATOM 512 CB PRO A 326 12.434 8.975 -6.400 1.00 0.00 C ATOM 513 CG PRO A 326 13.643 8.934 -5.532 1.00 0.00 C ATOM 514 CD PRO A 326 14.304 7.615 -5.810 1.00 0.00 C ATOM 0 HA PRO A 326 11.121 7.258 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.663 9.407 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.651 9.589 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.314 9.763 -5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.372 9.021 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.010 7.683 -6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.861 7.252 -4.946 1.00 0.00 H new ATOM 522 N LEU A 327 10.273 6.914 -8.133 1.00 0.00 N ATOM 523 CA LEU A 327 9.711 6.638 -9.439 1.00 0.00 C ATOM 524 C LEU A 327 9.410 7.937 -10.171 1.00 0.00 C ATOM 525 O LEU A 327 9.013 8.931 -9.566 1.00 0.00 O ATOM 526 CB LEU A 327 8.420 5.831 -9.297 1.00 0.00 C ATOM 527 CG LEU A 327 8.557 4.504 -8.554 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.198 3.842 -8.403 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.524 3.580 -9.277 1.00 0.00 C ATOM 0 H LEU A 327 9.601 6.845 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 327 10.439 6.063 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.683 6.444 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.025 5.631 -10.293 1.00 0.00 H new ATOM 0 HG LEU A 327 8.958 4.705 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.311 2.897 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.534 4.498 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 327 6.773 3.655 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.607 2.640 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.155 3.383 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.504 4.053 -9.336 1.00 0.00 H new ATOM 541 N ARG A 328 9.607 7.920 -11.484 1.00 0.00 N ATOM 542 CA ARG A 328 9.311 9.073 -12.314 1.00 0.00 C ATOM 543 C ARG A 328 7.840 9.094 -12.708 1.00 0.00 C ATOM 544 O ARG A 328 7.160 10.109 -12.558 1.00 0.00 O ATOM 545 CB ARG A 328 10.171 9.049 -13.579 1.00 0.00 C ATOM 546 CG ARG A 328 9.767 10.106 -14.597 1.00 0.00 C ATOM 547 CD ARG A 328 10.527 9.957 -15.898 1.00 0.00 C ATOM 548 NE ARG A 328 10.057 10.913 -16.898 1.00 0.00 N ATOM 549 CZ ARG A 328 10.795 11.909 -17.377 1.00 0.00 C ATOM 550 NH1 ARG A 328 12.071 12.027 -17.023 1.00 0.00 N ATOM 551 NH2 ARG A 328 10.269 12.779 -18.226 1.00 0.00 N ATOM 0 H ARG A 328 9.972 7.116 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 328 9.536 9.969 -11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.215 9.199 -13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.101 8.064 -14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 328 8.697 10.033 -14.791 1.00 0.00 H new ATOM 0 HG3 ARG A 328 9.948 11.098 -14.182 1.00 0.00 H new ATOM 0 HD2 ARG A 328 11.592 10.108 -15.719 1.00 0.00 H new ATOM 0 HD3 ARG A 328 10.408 8.942 -16.277 1.00 0.00 H new ATOM 0 HE ARG A 328 9.105 10.810 -17.250 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.487 11.352 -16.382 1.00 0.00 H new ATOM 0 HH12 ARG A 328 12.634 12.793 -17.393 1.00 0.00 H new ATOM 0 HH21 ARG A 328 9.295 12.686 -18.514 1.00 0.00 H new ATOM 0 HH22 ARG A 328 10.838 13.542 -18.592 1.00 0.00 H new ATOM 565 N GLU A 329 7.358 7.964 -13.203 1.00 0.00 N ATOM 566 CA GLU A 329 5.993 7.845 -13.689 1.00 0.00 C ATOM 567 C GLU A 329 5.411 6.509 -13.256 1.00 0.00 C ATOM 568 O GLU A 329 6.154 5.564 -12.991 1.00 0.00 O ATOM 569 CB GLU A 329 5.969 7.965 -15.221 1.00 0.00 C ATOM 570 CG GLU A 329 6.352 9.348 -15.731 1.00 0.00 C ATOM 571 CD GLU A 329 6.483 9.406 -17.240 1.00 0.00 C ATOM 572 OE1 GLU A 329 5.467 9.201 -17.944 1.00 0.00 O ATOM 573 OE2 GLU A 329 7.599 9.669 -17.740 1.00 0.00 O ATOM 0 H GLU A 329 7.902 7.105 -13.279 1.00 0.00 H new ATOM 0 HA GLU A 329 5.389 8.648 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.652 7.229 -15.645 1.00 0.00 H new ATOM 0 HB3 GLU A 329 4.970 7.718 -15.581 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.601 10.069 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.297 9.648 -15.278 1.00 0.00 H new ATOM 580 N ILE A 330 4.090 6.441 -13.167 1.00 0.00 N ATOM 581 CA ILE A 330 3.409 5.225 -12.741 1.00 0.00 C ATOM 582 C ILE A 330 3.389 4.191 -13.866 1.00 0.00 C ATOM 583 O ILE A 330 2.789 4.420 -14.916 1.00 0.00 O ATOM 584 CB ILE A 330 1.961 5.520 -12.285 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.967 6.517 -11.125 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.253 4.232 -11.885 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.585 6.882 -10.625 1.00 0.00 C ATOM 0 H ILE A 330 3.465 7.217 -13.385 1.00 0.00 H new ATOM 0 HA ILE A 330 3.965 4.823 -11.894 1.00 0.00 H new ATOM 0 HB ILE A 330 1.415 5.962 -13.119 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.542 6.097 -10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.480 7.425 -11.441 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.236 4.460 -11.567 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.224 3.553 -12.737 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.793 3.760 -11.064 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.671 7.592 -9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.012 7.333 -11.435 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.075 5.984 -10.276 1.00 0.00 H new ATOM 599 N PRO A 331 4.052 3.041 -13.658 1.00 0.00 N ATOM 600 CA PRO A 331 4.123 1.982 -14.660 1.00 0.00 C ATOM 601 C PRO A 331 2.802 1.230 -14.814 1.00 0.00 C ATOM 602 O PRO A 331 2.153 0.867 -13.832 1.00 0.00 O ATOM 603 CB PRO A 331 5.215 1.054 -14.121 1.00 0.00 C ATOM 604 CG PRO A 331 5.198 1.260 -12.650 1.00 0.00 C ATOM 605 CD PRO A 331 4.781 2.689 -12.423 1.00 0.00 C ATOM 0 HA PRO A 331 4.335 2.377 -15.654 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.012 0.014 -14.377 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.189 1.302 -14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.502 0.572 -12.170 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.182 1.070 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.147 2.786 -11.542 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.643 3.338 -12.268 1.00 0.00 H new ATOM 613 N SER A 332 2.414 1.003 -16.056 1.00 0.00 N ATOM 614 CA SER A 332 1.189 0.277 -16.353 1.00 0.00 C ATOM 615 C SER A 332 1.457 -1.230 -16.309 1.00 0.00 C ATOM 616 O SER A 332 1.739 -1.852 -17.340 1.00 0.00 O ATOM 617 CB SER A 332 0.637 0.697 -17.718 1.00 0.00 C ATOM 618 OG SER A 332 -0.647 0.142 -17.955 1.00 0.00 O ATOM 0 H SER A 332 2.931 1.312 -16.879 1.00 0.00 H new ATOM 0 HA SER A 332 0.438 0.518 -15.600 1.00 0.00 H new ATOM 0 HB2 SER A 332 0.579 1.784 -17.769 1.00 0.00 H new ATOM 0 HB3 SER A 332 1.323 0.377 -18.503 1.00 0.00 H new ATOM 0 HG SER A 332 -0.971 0.431 -18.834 1.00 0.00 H new ATOM 624 N GLY A 333 1.396 -1.802 -15.120 1.00 0.00 N ATOM 625 CA GLY A 333 1.640 -3.219 -14.968 1.00 0.00 C ATOM 626 C GLY A 333 1.810 -3.616 -13.517 1.00 0.00 C ATOM 627 O GLY A 333 1.130 -3.079 -12.646 1.00 0.00 O ATOM 0 H GLY A 333 1.181 -1.309 -14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.810 -3.778 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.535 -3.494 -15.526 1.00 0.00 H new ATOM 631 N THR A 334 2.718 -4.539 -13.261 1.00 0.00 N ATOM 632 CA THR A 334 2.940 -5.032 -11.912 1.00 0.00 C ATOM 633 C THR A 334 4.125 -4.322 -11.257 1.00 0.00 C ATOM 634 O THR A 334 5.279 -4.558 -11.625 1.00 0.00 O ATOM 635 CB THR A 334 3.193 -6.555 -11.917 1.00 0.00 C ATOM 636 OG1 THR A 334 4.316 -6.860 -12.754 1.00 0.00 O ATOM 637 CG2 THR A 334 1.971 -7.310 -12.422 1.00 0.00 C ATOM 0 H THR A 334 3.316 -4.964 -13.970 1.00 0.00 H new ATOM 0 HA THR A 334 2.039 -4.822 -11.336 1.00 0.00 H new ATOM 0 HB THR A 334 3.398 -6.867 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.999 -6.164 -12.652 1.00 0.00 H new ATOM 0 HG21 THR A 334 2.176 -8.380 -12.415 1.00 0.00 H new ATOM 0 HG22 THR A 334 1.120 -7.100 -11.774 1.00 0.00 H new ATOM 0 HG23 THR A 334 1.741 -6.991 -13.439 1.00 0.00 H new ATOM 645 N TRP A 335 3.841 -3.431 -10.321 1.00 0.00 N ATOM 646 CA TRP A 335 4.892 -2.746 -9.586 1.00 0.00 C ATOM 647 C TRP A 335 5.111 -3.419 -8.237 1.00 0.00 C ATOM 648 O TRP A 335 4.155 -3.858 -7.594 1.00 0.00 O ATOM 649 CB TRP A 335 4.539 -1.267 -9.403 1.00 0.00 C ATOM 650 CG TRP A 335 5.564 -0.511 -8.616 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.816 -0.160 -9.025 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.424 -0.027 -7.273 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.469 0.505 -8.015 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.633 0.601 -6.934 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.393 -0.063 -6.326 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.841 1.186 -5.686 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.600 0.518 -5.095 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.816 1.136 -4.781 1.00 0.00 C ATOM 0 H TRP A 335 2.893 -3.165 -10.053 1.00 0.00 H new ATOM 0 HA TRP A 335 5.818 -2.806 -10.157 1.00 0.00 H new ATOM 0 HB2 TRP A 335 4.427 -0.803 -10.383 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.575 -1.189 -8.901 1.00 0.00 H new ATOM 0 HD1 TRP A 335 7.233 -0.373 -9.998 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.421 0.868 -8.063 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.451 -0.539 -6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.779 1.662 -5.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.810 0.497 -4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.948 1.582 -3.806 1.00 0.00 H new ATOM 669 N ARG A 336 6.364 -3.501 -7.815 1.00 0.00 N ATOM 670 CA ARG A 336 6.707 -4.145 -6.558 1.00 0.00 C ATOM 671 C ARG A 336 7.431 -3.165 -5.647 1.00 0.00 C ATOM 672 O ARG A 336 8.397 -2.525 -6.053 1.00 0.00 O ATOM 673 CB ARG A 336 7.594 -5.365 -6.811 1.00 0.00 C ATOM 674 CG ARG A 336 6.874 -6.527 -7.473 1.00 0.00 C ATOM 675 CD ARG A 336 7.817 -7.692 -7.721 1.00 0.00 C ATOM 676 NE ARG A 336 7.107 -8.900 -8.140 1.00 0.00 N ATOM 677 CZ ARG A 336 7.713 -10.039 -8.473 1.00 0.00 C ATOM 678 NH1 ARG A 336 9.038 -10.118 -8.469 1.00 0.00 N ATOM 679 NH2 ARG A 336 6.996 -11.104 -8.814 1.00 0.00 N ATOM 0 H ARG A 336 7.163 -3.127 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 336 5.786 -4.470 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.434 -5.067 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 336 8.010 -5.702 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 336 6.048 -6.853 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 336 6.442 -6.199 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 336 8.541 -7.414 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 336 8.380 -7.901 -6.811 1.00 0.00 H new ATOM 0 HE ARG A 336 6.088 -8.869 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 336 9.597 -9.305 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.498 -10.992 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 336 5.977 -11.052 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 336 7.464 -11.974 -9.068 1.00 0.00 H new ATOM 693 N CYS A 337 6.955 -3.039 -4.424 1.00 0.00 N ATOM 694 CA CYS A 337 7.580 -2.147 -3.455 1.00 0.00 C ATOM 695 C CYS A 337 8.658 -2.882 -2.653 1.00 0.00 C ATOM 696 O CYS A 337 9.007 -4.020 -2.979 1.00 0.00 O ATOM 697 CB CYS A 337 6.528 -1.566 -2.510 1.00 0.00 C ATOM 698 SG CYS A 337 5.662 -2.814 -1.497 1.00 0.00 S ATOM 0 H CYS A 337 6.139 -3.540 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 337 8.053 -1.331 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.009 -0.846 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.792 -1.017 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 337 4.935 -3.569 -2.266 1.00 0.00 H new ATOM 703 N SER A 338 9.147 -2.243 -1.595 1.00 0.00 N ATOM 704 CA SER A 338 10.218 -2.799 -0.782 1.00 0.00 C ATOM 705 C SER A 338 9.815 -4.149 -0.190 1.00 0.00 C ATOM 706 O SER A 338 10.612 -5.086 -0.162 1.00 0.00 O ATOM 707 CB SER A 338 10.546 -1.817 0.338 1.00 0.00 C ATOM 708 OG SER A 338 9.355 -1.384 0.984 1.00 0.00 O ATOM 0 H SER A 338 8.814 -1.332 -1.280 1.00 0.00 H new ATOM 0 HA SER A 338 11.094 -2.958 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.209 -2.290 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 338 11.080 -0.958 -0.068 1.00 0.00 H new ATOM 0 HG SER A 338 9.582 -0.756 1.701 1.00 0.00 H new ATOM 714 N SER A 339 8.564 -4.237 0.248 1.00 0.00 N ATOM 715 CA SER A 339 8.030 -5.464 0.832 1.00 0.00 C ATOM 716 C SER A 339 8.238 -6.654 -0.108 1.00 0.00 C ATOM 717 O SER A 339 8.709 -7.704 0.318 1.00 0.00 O ATOM 718 CB SER A 339 6.542 -5.292 1.149 1.00 0.00 C ATOM 719 OG SER A 339 6.033 -6.410 1.856 1.00 0.00 O ATOM 0 H SER A 339 7.896 -3.467 0.209 1.00 0.00 H new ATOM 0 HA SER A 339 8.569 -5.665 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.396 -4.388 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 339 5.984 -5.160 0.222 1.00 0.00 H new ATOM 0 HG SER A 339 5.082 -6.271 2.046 1.00 0.00 H new ATOM 725 N CYS A 340 7.907 -6.481 -1.379 1.00 0.00 N ATOM 726 CA CYS A 340 8.062 -7.552 -2.359 1.00 0.00 C ATOM 727 C CYS A 340 9.530 -7.870 -2.613 1.00 0.00 C ATOM 728 O CYS A 340 9.904 -9.032 -2.768 1.00 0.00 O ATOM 729 CB CYS A 340 7.386 -7.176 -3.681 1.00 0.00 C ATOM 730 SG CYS A 340 5.584 -6.963 -3.555 1.00 0.00 S ATOM 0 H CYS A 340 7.530 -5.612 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 340 7.583 -8.439 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.826 -6.250 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.600 -7.949 -4.419 1.00 0.00 H new ATOM 0 HG CYS A 340 5.226 -5.900 -4.212 1.00 0.00 H new ATOM 735 N LEU A 341 10.362 -6.837 -2.634 1.00 0.00 N ATOM 736 CA LEU A 341 11.780 -7.006 -2.925 1.00 0.00 C ATOM 737 C LEU A 341 12.474 -7.793 -1.818 1.00 0.00 C ATOM 738 O LEU A 341 13.323 -8.647 -2.080 1.00 0.00 O ATOM 739 CB LEU A 341 12.453 -5.645 -3.099 1.00 0.00 C ATOM 740 CG LEU A 341 11.880 -4.780 -4.228 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.582 -3.433 -4.273 1.00 0.00 C ATOM 742 CD2 LEU A 341 12.004 -5.493 -5.567 1.00 0.00 C ATOM 0 H LEU A 341 10.080 -5.874 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 341 11.869 -7.568 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.372 -5.094 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.515 -5.803 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 341 10.822 -4.611 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 341 12.163 -2.831 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.440 -2.917 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.647 -3.584 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.592 -4.862 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 341 13.055 -5.694 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.455 -6.434 -5.531 1.00 0.00 H new