USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=15 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 175:sc= -1.29 USER MOD Set 1.2: A 302 CYS SG : rot -48:sc= 1.55 USER MOD Set 1.3: A 319 HIS : +bothHN:sc= -0.0438 K(o=-0.53,f=-5.8!) USER MOD Set 1.4: A 322 CYS SG : rot -166:sc= -0.749 USER MOD Set 2.1: A 311 CYS SG : rot -161:sc= 3.16 USER MOD Set 2.2: A 314 CYS SG : rot 77:sc= 1.38 USER MOD Set 2.3: A 337 CYS SG : rot -28:sc= 0.935 USER MOD Set 2.4: A 339 SER OG : rot 180:sc= 0.0004 USER MOD Set 2.5: A 340 CYS SG : rot 157:sc= 2.12 USER MOD Set 3.1: A 295 ASN :FLIP amide:sc= 0.539 F(o=-0.3,f=1.1) USER MOD Set 3.2: A 310 CYS SG : rot -129:sc= 0.578 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 42:sc= 0.079 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00265 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.584 -2.288 -0.769 1.00 0.00 N ATOM 86 CA ASN A 295 -5.362 -1.524 -0.586 1.00 0.00 C ATOM 87 C ASN A 295 -5.657 -0.253 0.191 1.00 0.00 C ATOM 88 O ASN A 295 -6.768 0.279 0.137 1.00 0.00 O ATOM 89 CB ASN A 295 -4.723 -1.179 -1.940 1.00 0.00 C ATOM 90 CG ASN A 295 -5.411 -0.025 -2.654 1.00 0.00 C ATOM 91 OD1 ASN A 295 -4.918 1.188 -2.438 1.00 0.00 O flip ATOM 92 ND2 ASN A 295 -6.365 -0.225 -3.398 1.00 0.00 N flip ATOM 0 HA ASN A 295 -4.657 -2.134 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.674 -0.927 -1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.748 -2.060 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -6.713 -1.174 -3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.810 0.557 -3.878 1.00 0.00 H new ATOM 99 N GLU A 296 -4.667 0.210 0.921 1.00 0.00 N ATOM 100 CA GLU A 296 -4.789 1.433 1.682 1.00 0.00 C ATOM 101 C GLU A 296 -4.533 2.639 0.790 1.00 0.00 C ATOM 102 O GLU A 296 -3.576 2.654 0.014 1.00 0.00 O ATOM 103 CB GLU A 296 -3.801 1.419 2.849 1.00 0.00 C ATOM 104 CG GLU A 296 -4.032 2.534 3.846 1.00 0.00 C ATOM 105 CD GLU A 296 -5.376 2.416 4.534 1.00 0.00 C ATOM 106 OE1 GLU A 296 -5.473 1.654 5.524 1.00 0.00 O ATOM 107 OE2 GLU A 296 -6.344 3.072 4.093 1.00 0.00 O ATOM 0 H GLU A 296 -3.759 -0.248 1.004 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.803 1.504 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -3.872 0.461 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.787 1.496 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.240 2.520 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.970 3.495 3.335 1.00 0.00 H new ATOM 114 N ASP A 297 -5.387 3.643 0.905 1.00 0.00 N ATOM 115 CA ASP A 297 -5.262 4.859 0.106 1.00 0.00 C ATOM 116 C ASP A 297 -4.333 5.862 0.777 1.00 0.00 C ATOM 117 O ASP A 297 -4.528 7.076 0.656 1.00 0.00 O ATOM 118 CB ASP A 297 -6.631 5.500 -0.139 1.00 0.00 C ATOM 119 CG ASP A 297 -7.371 4.883 -1.312 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.152 5.326 -2.446 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.187 3.964 -1.097 1.00 0.00 O ATOM 0 H ASP A 297 -6.180 3.643 1.547 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.833 4.575 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.239 5.401 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.500 6.567 -0.319 1.00 0.00 H new ATOM 126 N GLU A 298 -3.320 5.363 1.473 1.00 0.00 N ATOM 127 CA GLU A 298 -2.392 6.217 2.197 1.00 0.00 C ATOM 128 C GLU A 298 -0.959 5.855 1.833 1.00 0.00 C ATOM 129 O GLU A 298 -0.615 4.675 1.736 1.00 0.00 O ATOM 130 CB GLU A 298 -2.566 6.056 3.708 1.00 0.00 C ATOM 131 CG GLU A 298 -3.978 6.282 4.214 1.00 0.00 C ATOM 132 CD GLU A 298 -4.037 6.315 5.719 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.985 5.236 6.355 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.109 7.424 6.289 1.00 0.00 O ATOM 0 H GLU A 298 -3.121 4.366 1.551 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.602 7.250 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.250 5.052 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.898 6.754 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.361 7.221 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.628 5.490 3.843 1.00 0.00 H new ATOM 141 N CYS A 299 -0.131 6.866 1.617 1.00 0.00 N ATOM 142 CA CYS A 299 1.289 6.643 1.398 1.00 0.00 C ATOM 143 C CYS A 299 1.976 6.340 2.723 1.00 0.00 C ATOM 144 O CYS A 299 2.218 7.243 3.529 1.00 0.00 O ATOM 145 CB CYS A 299 1.945 7.857 0.745 1.00 0.00 C ATOM 146 SG CYS A 299 3.744 7.686 0.509 1.00 0.00 S ATOM 0 H CYS A 299 -0.417 7.845 1.589 1.00 0.00 H new ATOM 0 HA CYS A 299 1.398 5.792 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.477 8.034 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.751 8.737 1.359 1.00 0.00 H new ATOM 0 HG CYS A 299 4.195 8.714 -0.146 1.00 0.00 H new ATOM 151 N ALA A 300 2.275 5.063 2.944 1.00 0.00 N ATOM 152 CA ALA A 300 2.925 4.591 4.170 1.00 0.00 C ATOM 153 C ALA A 300 4.208 5.361 4.502 1.00 0.00 C ATOM 154 O ALA A 300 4.699 5.297 5.628 1.00 0.00 O ATOM 155 CB ALA A 300 3.222 3.102 4.058 1.00 0.00 C ATOM 0 H ALA A 300 2.073 4.319 2.275 1.00 0.00 H new ATOM 0 HA ALA A 300 2.229 4.773 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.705 2.758 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.291 2.555 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.883 2.926 3.210 1.00 0.00 H new ATOM 161 N VAL A 301 4.755 6.082 3.535 1.00 0.00 N ATOM 162 CA VAL A 301 5.967 6.858 3.760 1.00 0.00 C ATOM 163 C VAL A 301 5.669 8.150 4.527 1.00 0.00 C ATOM 164 O VAL A 301 6.164 8.353 5.630 1.00 0.00 O ATOM 165 CB VAL A 301 6.676 7.206 2.433 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.964 7.975 2.690 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.960 5.948 1.632 1.00 0.00 C ATOM 0 H VAL A 301 4.380 6.147 2.588 1.00 0.00 H new ATOM 0 HA VAL A 301 6.629 6.232 4.359 1.00 0.00 H new ATOM 0 HB VAL A 301 6.009 7.843 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.444 8.208 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.736 8.901 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.636 7.367 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.460 6.215 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.602 5.285 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.022 5.440 1.408 1.00 0.00 H new ATOM 177 N CYS A 302 4.845 9.014 3.938 1.00 0.00 N ATOM 178 CA CYS A 302 4.633 10.355 4.482 1.00 0.00 C ATOM 179 C CYS A 302 3.227 10.541 5.057 1.00 0.00 C ATOM 180 O CYS A 302 2.888 11.626 5.537 1.00 0.00 O ATOM 181 CB CYS A 302 4.885 11.388 3.385 1.00 0.00 C ATOM 182 SG CYS A 302 4.024 11.014 1.821 1.00 0.00 S ATOM 0 H CYS A 302 4.316 8.812 3.090 1.00 0.00 H new ATOM 0 HA CYS A 302 5.334 10.492 5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.567 12.368 3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.956 11.450 3.195 1.00 0.00 H new ATOM 0 HG CYS A 302 4.222 9.769 1.504 1.00 0.00 H new ATOM 187 N ARG A 303 2.427 9.474 5.041 1.00 0.00 N ATOM 188 CA ARG A 303 1.045 9.505 5.535 1.00 0.00 C ATOM 189 C ARG A 303 0.159 10.447 4.715 1.00 0.00 C ATOM 190 O ARG A 303 -0.854 10.947 5.212 1.00 0.00 O ATOM 191 CB ARG A 303 1.010 9.917 7.015 1.00 0.00 C ATOM 192 CG ARG A 303 1.800 9.001 7.923 1.00 0.00 C ATOM 193 CD ARG A 303 1.709 9.453 9.373 1.00 0.00 C ATOM 194 NE ARG A 303 2.550 8.647 10.261 1.00 0.00 N ATOM 195 CZ ARG A 303 2.975 9.056 11.456 1.00 0.00 C ATOM 196 NH1 ARG A 303 2.605 10.240 11.938 1.00 0.00 N ATOM 197 NH2 ARG A 303 3.764 8.271 12.185 1.00 0.00 N ATOM 0 H ARG A 303 2.717 8.563 4.686 1.00 0.00 H new ATOM 0 HA ARG A 303 0.647 8.496 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.399 10.931 7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.027 9.941 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.424 7.982 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.844 8.985 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 303 2.007 10.499 9.444 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.673 9.394 9.705 1.00 0.00 H new ATOM 0 HE ARG A 303 2.827 7.717 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 303 1.991 10.844 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 303 2.936 10.544 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 303 4.043 7.357 11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 303 4.090 8.583 13.100 1.00 0.00 H new ATOM 211 N ASP A 304 0.540 10.684 3.466 1.00 0.00 N ATOM 212 CA ASP A 304 -0.229 11.563 2.579 1.00 0.00 C ATOM 213 C ASP A 304 -0.933 10.747 1.503 1.00 0.00 C ATOM 214 O ASP A 304 -0.633 9.566 1.317 1.00 0.00 O ATOM 215 CB ASP A 304 0.675 12.599 1.897 1.00 0.00 C ATOM 216 CG ASP A 304 1.331 13.564 2.867 1.00 0.00 C ATOM 217 OD1 ASP A 304 0.640 14.081 3.767 1.00 0.00 O ATOM 218 OD2 ASP A 304 2.545 13.827 2.717 1.00 0.00 O ATOM 0 H ASP A 304 1.375 10.283 3.040 1.00 0.00 H new ATOM 0 HA ASP A 304 -0.963 12.082 3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.450 12.078 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.085 13.166 1.177 1.00 0.00 H new ATOM 223 N GLY A 305 -1.865 11.379 0.804 1.00 0.00 N ATOM 224 CA GLY A 305 -2.527 10.736 -0.314 1.00 0.00 C ATOM 225 C GLY A 305 -2.378 11.543 -1.574 1.00 0.00 C ATOM 226 O GLY A 305 -1.521 12.427 -1.656 1.00 0.00 O ATOM 0 H GLY A 305 -2.176 12.332 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.107 9.741 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.585 10.605 -0.087 1.00 0.00 H new ATOM 230 N GLY A 306 -3.214 11.271 -2.570 1.00 0.00 N ATOM 231 CA GLY A 306 -3.125 11.990 -3.822 1.00 0.00 C ATOM 232 C GLY A 306 -2.598 11.132 -4.955 1.00 0.00 C ATOM 233 O GLY A 306 -3.234 10.150 -5.348 1.00 0.00 O ATOM 0 H GLY A 306 -3.950 10.566 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.111 12.370 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.474 12.855 -3.694 1.00 0.00 H new ATOM 237 N GLU A 307 -1.430 11.493 -5.479 1.00 0.00 N ATOM 238 CA GLU A 307 -0.823 10.771 -6.593 1.00 0.00 C ATOM 239 C GLU A 307 -0.133 9.511 -6.080 1.00 0.00 C ATOM 240 O GLU A 307 1.093 9.446 -6.012 1.00 0.00 O ATOM 241 CB GLU A 307 0.198 11.653 -7.318 1.00 0.00 C ATOM 242 CG GLU A 307 -0.378 12.960 -7.843 1.00 0.00 C ATOM 243 CD GLU A 307 0.664 13.819 -8.521 1.00 0.00 C ATOM 244 OE1 GLU A 307 1.494 14.431 -7.820 1.00 0.00 O ATOM 245 OE2 GLU A 307 0.655 13.902 -9.771 1.00 0.00 O ATOM 0 H GLU A 307 -0.882 12.287 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.611 10.497 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 307 1.019 11.877 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.620 11.092 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -1.180 12.743 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -0.821 13.516 -7.017 1.00 0.00 H new ATOM 252 N LEU A 308 -0.929 8.517 -5.734 1.00 0.00 N ATOM 253 CA LEU A 308 -0.409 7.317 -5.111 1.00 0.00 C ATOM 254 C LEU A 308 -0.220 6.198 -6.115 1.00 0.00 C ATOM 255 O LEU A 308 -0.970 6.082 -7.093 1.00 0.00 O ATOM 256 CB LEU A 308 -1.347 6.844 -4.001 1.00 0.00 C ATOM 257 CG LEU A 308 -1.482 7.794 -2.812 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.488 7.254 -1.821 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.135 8.002 -2.150 1.00 0.00 C ATOM 0 H LEU A 308 -1.939 8.518 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 308 0.564 7.569 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.336 6.681 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -0.994 5.879 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.840 8.759 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.574 7.941 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.458 7.152 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.158 6.279 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.246 8.681 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.249 7.045 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.562 8.430 -2.870 1.00 0.00 H new ATOM 271 N ILE A 309 0.790 5.393 -5.874 1.00 0.00 N ATOM 272 CA ILE A 309 1.005 4.166 -6.608 1.00 0.00 C ATOM 273 C ILE A 309 0.886 2.995 -5.636 1.00 0.00 C ATOM 274 O ILE A 309 1.638 2.903 -4.661 1.00 0.00 O ATOM 275 CB ILE A 309 2.382 4.156 -7.323 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.652 2.794 -7.969 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.512 4.532 -6.365 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.982 2.717 -8.685 1.00 0.00 C ATOM 0 H ILE A 309 1.492 5.573 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 309 0.250 4.080 -7.389 1.00 0.00 H new ATOM 0 HB ILE A 309 2.349 4.909 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.618 2.023 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.854 2.573 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.462 4.515 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.336 5.532 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.545 3.817 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 309 4.105 1.724 -9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 309 4.012 3.465 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.788 2.906 -7.976 1.00 0.00 H new ATOM 290 N CYS A 310 -0.090 2.132 -5.862 1.00 0.00 N ATOM 291 CA CYS A 310 -0.349 1.029 -4.953 1.00 0.00 C ATOM 292 C CYS A 310 0.469 -0.185 -5.359 1.00 0.00 C ATOM 293 O CYS A 310 0.860 -0.317 -6.523 1.00 0.00 O ATOM 294 CB CYS A 310 -1.838 0.691 -4.980 1.00 0.00 C ATOM 295 SG CYS A 310 -2.917 2.134 -4.826 1.00 0.00 S ATOM 0 H CYS A 310 -0.716 2.174 -6.667 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.062 1.319 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.067 0.176 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.058 -0.004 -4.169 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.785 1.928 -3.880 1.00 0.00 H new ATOM 301 N CYS A 311 0.736 -1.062 -4.419 1.00 0.00 N ATOM 302 CA CYS A 311 1.552 -2.227 -4.688 1.00 0.00 C ATOM 303 C CYS A 311 0.665 -3.452 -4.911 1.00 0.00 C ATOM 304 O CYS A 311 -0.390 -3.590 -4.287 1.00 0.00 O ATOM 305 CB CYS A 311 2.526 -2.467 -3.547 1.00 0.00 C ATOM 306 SG CYS A 311 3.660 -3.866 -3.814 1.00 0.00 S ATOM 0 H CYS A 311 0.400 -0.992 -3.459 1.00 0.00 H new ATOM 0 HA CYS A 311 2.129 -2.050 -5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.114 -1.563 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.960 -2.642 -2.632 1.00 0.00 H new ATOM 0 HG CYS A 311 4.155 -4.247 -2.674 1.00 0.00 H new ATOM 311 N ASP A 312 1.102 -4.333 -5.796 1.00 0.00 N ATOM 312 CA ASP A 312 0.345 -5.541 -6.124 1.00 0.00 C ATOM 313 C ASP A 312 0.653 -6.662 -5.146 1.00 0.00 C ATOM 314 O ASP A 312 -0.082 -7.642 -5.053 1.00 0.00 O ATOM 315 CB ASP A 312 0.635 -6.004 -7.549 1.00 0.00 C ATOM 316 CG ASP A 312 -0.125 -5.197 -8.587 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.402 -4.162 -9.049 1.00 0.00 O ATOM 318 OD2 ASP A 312 -1.253 -5.604 -8.944 1.00 0.00 O ATOM 0 H ASP A 312 1.981 -4.238 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.713 -5.291 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.705 -5.925 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 312 0.371 -7.057 -7.647 1.00 0.00 H new ATOM 323 N GLY A 313 1.745 -6.514 -4.414 1.00 0.00 N ATOM 324 CA GLY A 313 2.102 -7.499 -3.418 1.00 0.00 C ATOM 325 C GLY A 313 1.633 -7.092 -2.032 1.00 0.00 C ATOM 326 O GLY A 313 1.125 -7.916 -1.273 1.00 0.00 O ATOM 0 H GLY A 313 2.391 -5.728 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.662 -8.461 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 313 3.184 -7.634 -3.411 1.00 0.00 H new ATOM 330 N CYS A 314 1.784 -5.812 -1.731 1.00 0.00 N ATOM 331 CA CYS A 314 1.398 -5.271 -0.428 1.00 0.00 C ATOM 332 C CYS A 314 0.289 -4.238 -0.623 1.00 0.00 C ATOM 333 O CYS A 314 0.347 -3.440 -1.551 1.00 0.00 O ATOM 334 CB CYS A 314 2.601 -4.628 0.270 1.00 0.00 C ATOM 335 SG CYS A 314 3.982 -5.773 0.590 1.00 0.00 S ATOM 0 H CYS A 314 2.173 -5.121 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 314 1.036 -6.083 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.963 -3.803 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.271 -4.201 1.217 1.00 0.00 H new ATOM 0 HG CYS A 314 4.636 -5.983 -0.514 1.00 0.00 H new ATOM 340 N PRO A 315 -0.725 -4.227 0.257 1.00 0.00 N ATOM 341 CA PRO A 315 -1.855 -3.287 0.169 1.00 0.00 C ATOM 342 C PRO A 315 -1.446 -1.840 0.472 1.00 0.00 C ATOM 343 O PRO A 315 -2.281 -0.941 0.513 1.00 0.00 O ATOM 344 CB PRO A 315 -2.839 -3.794 1.233 1.00 0.00 C ATOM 345 CG PRO A 315 -2.354 -5.154 1.615 1.00 0.00 C ATOM 346 CD PRO A 315 -0.871 -5.139 1.395 1.00 0.00 C ATOM 0 HA PRO A 315 -2.272 -3.260 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.860 -3.129 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.854 -3.837 0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.592 -5.376 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.831 -5.923 1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.335 -4.780 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.485 -6.133 1.170 1.00 0.00 H new ATOM 354 N ARG A 316 -0.162 -1.640 0.707 1.00 0.00 N ATOM 355 CA ARG A 316 0.378 -0.314 0.977 1.00 0.00 C ATOM 356 C ARG A 316 0.479 0.517 -0.304 1.00 0.00 C ATOM 357 O ARG A 316 0.647 -0.022 -1.398 1.00 0.00 O ATOM 358 CB ARG A 316 1.753 -0.419 1.636 1.00 0.00 C ATOM 359 CG ARG A 316 1.729 -1.090 3.005 1.00 0.00 C ATOM 360 CD ARG A 316 3.115 -1.120 3.617 1.00 0.00 C ATOM 361 NE ARG A 316 3.122 -1.767 4.928 1.00 0.00 N ATOM 362 CZ ARG A 316 4.179 -2.400 5.436 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.303 -2.480 4.731 1.00 0.00 N ATOM 364 NH2 ARG A 316 4.110 -2.954 6.632 1.00 0.00 N ATOM 0 H ARG A 316 0.535 -2.385 0.717 1.00 0.00 H new ATOM 0 HA ARG A 316 -0.308 0.188 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.419 -0.979 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.174 0.581 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.047 -0.554 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.347 -2.106 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.795 -1.648 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.491 -0.101 3.714 1.00 0.00 H new ATOM 0 HE ARG A 316 2.269 -1.732 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 316 5.355 -2.058 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 316 6.114 -2.964 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 316 3.246 -2.898 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 316 4.921 -3.438 7.018 1.00 0.00 H new ATOM 378 N ALA A 317 0.372 1.829 -0.135 1.00 0.00 N ATOM 379 CA ALA A 317 0.511 2.764 -1.237 1.00 0.00 C ATOM 380 C ALA A 317 1.686 3.700 -0.990 1.00 0.00 C ATOM 381 O ALA A 317 2.096 3.902 0.162 1.00 0.00 O ATOM 382 CB ALA A 317 -0.772 3.560 -1.438 1.00 0.00 C ATOM 0 H ALA A 317 0.187 2.270 0.766 1.00 0.00 H new ATOM 0 HA ALA A 317 0.703 2.195 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.643 4.254 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.593 2.878 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.999 4.119 -0.530 1.00 0.00 H new ATOM 388 N PHE A 318 2.224 4.264 -2.055 1.00 0.00 N ATOM 389 CA PHE A 318 3.408 5.110 -1.964 1.00 0.00 C ATOM 390 C PHE A 318 3.312 6.300 -2.911 1.00 0.00 C ATOM 391 O PHE A 318 2.529 6.286 -3.859 1.00 0.00 O ATOM 392 CB PHE A 318 4.664 4.296 -2.304 1.00 0.00 C ATOM 393 CG PHE A 318 4.879 3.100 -1.417 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.481 3.241 -0.181 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.477 1.837 -1.823 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.680 2.144 0.640 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.670 0.740 -1.011 1.00 0.00 C ATOM 398 CZ PHE A 318 5.273 0.891 0.217 1.00 0.00 C ATOM 0 H PHE A 318 1.860 4.153 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 318 3.472 5.482 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.597 3.960 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.536 4.947 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.800 4.219 0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.007 1.711 -2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.150 2.266 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.348 -0.238 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.429 0.031 0.851 1.00 0.00 H new ATOM 408 N HIS A 319 4.101 7.337 -2.640 1.00 0.00 N ATOM 409 CA HIS A 319 4.256 8.459 -3.548 1.00 0.00 C ATOM 410 C HIS A 319 5.525 8.278 -4.357 1.00 0.00 C ATOM 411 O HIS A 319 6.483 7.669 -3.883 1.00 0.00 O ATOM 412 CB HIS A 319 4.319 9.797 -2.803 1.00 0.00 C ATOM 413 CG HIS A 319 2.986 10.372 -2.451 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.614 10.572 -1.150 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.999 10.812 -3.267 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.418 11.129 -1.199 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.005 11.292 -2.457 1.00 0.00 N ATOM 0 H HIS A 319 4.649 7.418 -1.783 1.00 0.00 H new ATOM 0 HA HIS A 319 3.384 8.481 -4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.896 9.662 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.860 10.516 -3.418 1.00 0.00 H new ATOM 0 HD1 HIS A 319 3.150 10.339 -0.314 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.996 10.789 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 319 0.846 11.417 -0.329 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.118 11.697 -2.758 1.00 0.00 H new ATOM 425 N LEU A 320 5.537 8.801 -5.570 1.00 0.00 N ATOM 426 CA LEU A 320 6.641 8.565 -6.495 1.00 0.00 C ATOM 427 C LEU A 320 7.991 8.997 -5.923 1.00 0.00 C ATOM 428 O LEU A 320 8.903 8.176 -5.792 1.00 0.00 O ATOM 429 CB LEU A 320 6.365 9.281 -7.815 1.00 0.00 C ATOM 430 CG LEU A 320 5.123 8.791 -8.562 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.907 9.592 -9.832 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.250 7.307 -8.877 1.00 0.00 C ATOM 0 H LEU A 320 4.795 9.394 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 320 6.705 7.490 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.256 10.348 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.233 9.164 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 320 4.254 8.937 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.018 9.226 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.773 10.644 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.774 9.482 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.360 6.970 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.129 7.141 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.352 6.745 -7.948 1.00 0.00 H new ATOM 444 N ALA A 321 8.113 10.268 -5.552 1.00 0.00 N ATOM 445 CA ALA A 321 9.378 10.799 -5.048 1.00 0.00 C ATOM 446 C ALA A 321 9.668 10.344 -3.627 1.00 0.00 C ATOM 447 O ALA A 321 10.794 10.465 -3.143 1.00 0.00 O ATOM 448 CB ALA A 321 9.370 12.319 -5.129 1.00 0.00 C ATOM 0 H ALA A 321 7.354 10.949 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 321 10.176 10.405 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.316 12.708 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.238 12.627 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.550 12.711 -4.527 1.00 0.00 H new ATOM 454 N CYS A 322 8.652 9.833 -2.948 1.00 0.00 N ATOM 455 CA CYS A 322 8.820 9.334 -1.596 1.00 0.00 C ATOM 456 C CYS A 322 9.426 7.935 -1.608 1.00 0.00 C ATOM 457 O CYS A 322 9.976 7.475 -0.609 1.00 0.00 O ATOM 458 CB CYS A 322 7.483 9.336 -0.857 1.00 0.00 C ATOM 459 SG CYS A 322 6.751 10.991 -0.659 1.00 0.00 S ATOM 0 H CYS A 322 7.703 9.754 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 322 9.507 9.996 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.780 8.701 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.623 8.891 0.128 1.00 0.00 H new ATOM 0 HG CYS A 322 5.797 10.941 0.222 1.00 0.00 H new ATOM 464 N LEU A 323 9.307 7.254 -2.740 1.00 0.00 N ATOM 465 CA LEU A 323 9.935 5.955 -2.927 1.00 0.00 C ATOM 466 C LEU A 323 11.457 6.113 -2.934 1.00 0.00 C ATOM 467 O LEU A 323 11.974 7.185 -3.244 1.00 0.00 O ATOM 468 CB LEU A 323 9.452 5.329 -4.236 1.00 0.00 C ATOM 469 CG LEU A 323 9.147 3.822 -4.207 1.00 0.00 C ATOM 470 CD1 LEU A 323 10.417 2.997 -4.114 1.00 0.00 C ATOM 471 CD2 LEU A 323 8.200 3.494 -3.067 1.00 0.00 C ATOM 0 H LEU A 323 8.777 7.583 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 323 9.657 5.296 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 323 8.550 5.853 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.209 5.509 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 323 8.660 3.561 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 323 10.162 1.937 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 323 11.049 3.203 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 323 10.954 3.257 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 323 7.995 2.424 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.657 3.781 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.267 4.042 -3.200 1.00 0.00 H new ATOM 483 N SER A 324 12.165 5.066 -2.558 1.00 0.00 N ATOM 484 CA SER A 324 13.613 5.051 -2.641 1.00 0.00 C ATOM 485 C SER A 324 14.073 3.734 -3.268 1.00 0.00 C ATOM 486 O SER A 324 13.925 2.671 -2.656 1.00 0.00 O ATOM 487 CB SER A 324 14.218 5.238 -1.254 1.00 0.00 C ATOM 488 OG SER A 324 13.690 6.398 -0.625 1.00 0.00 O ATOM 0 H SER A 324 11.757 4.207 -2.189 1.00 0.00 H new ATOM 0 HA SER A 324 13.953 5.874 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 324 14.012 4.361 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 324 15.302 5.323 -1.334 1.00 0.00 H new ATOM 0 HG SER A 324 14.090 6.499 0.264 1.00 0.00 H new ATOM 494 N PRO A 325 14.626 3.765 -4.492 1.00 0.00 N ATOM 495 CA PRO A 325 14.864 5.001 -5.261 1.00 0.00 C ATOM 496 C PRO A 325 13.568 5.688 -5.701 1.00 0.00 C ATOM 497 O PRO A 325 12.555 5.026 -5.937 1.00 0.00 O ATOM 498 CB PRO A 325 15.646 4.510 -6.479 1.00 0.00 C ATOM 499 CG PRO A 325 15.252 3.086 -6.638 1.00 0.00 C ATOM 500 CD PRO A 325 15.051 2.570 -5.246 1.00 0.00 C ATOM 0 HA PRO A 325 15.387 5.751 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.398 5.090 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.721 4.608 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.339 2.995 -7.226 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.025 2.520 -7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.295 1.786 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.969 2.145 -4.840 1.00 0.00 H new ATOM 508 N PRO A 326 13.596 7.026 -5.801 1.00 0.00 N ATOM 509 CA PRO A 326 12.420 7.825 -6.148 1.00 0.00 C ATOM 510 C PRO A 326 11.988 7.631 -7.594 1.00 0.00 C ATOM 511 O PRO A 326 12.791 7.772 -8.525 1.00 0.00 O ATOM 512 CB PRO A 326 12.873 9.277 -5.922 1.00 0.00 C ATOM 513 CG PRO A 326 14.169 9.185 -5.185 1.00 0.00 C ATOM 514 CD PRO A 326 14.775 7.869 -5.572 1.00 0.00 C ATOM 0 HA PRO A 326 11.557 7.538 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.998 9.800 -6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.133 9.833 -5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.828 10.011 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.010 9.239 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.392 7.955 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 326 15.412 7.469 -4.783 1.00 0.00 H new ATOM 522 N LEU A 327 10.716 7.310 -7.774 1.00 0.00 N ATOM 523 CA LEU A 327 10.144 7.133 -9.096 1.00 0.00 C ATOM 524 C LEU A 327 9.691 8.480 -9.646 1.00 0.00 C ATOM 525 O LEU A 327 9.340 9.383 -8.883 1.00 0.00 O ATOM 526 CB LEU A 327 8.950 6.175 -9.033 1.00 0.00 C ATOM 527 CG LEU A 327 9.252 4.773 -8.498 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.978 3.943 -8.436 1.00 0.00 C ATOM 529 CD2 LEU A 327 10.292 4.081 -9.364 1.00 0.00 C ATOM 0 H LEU A 327 10.055 7.166 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 327 10.903 6.710 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 327 8.179 6.625 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.531 6.079 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 327 9.654 4.870 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 327 8.210 2.949 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 327 7.260 4.428 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.551 3.857 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 327 10.493 3.086 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.918 3.996 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 327 11.213 4.664 -9.363 1.00 0.00 H new ATOM 541 N ARG A 328 9.709 8.610 -10.962 1.00 0.00 N ATOM 542 CA ARG A 328 9.288 9.845 -11.610 1.00 0.00 C ATOM 543 C ARG A 328 7.863 9.706 -12.131 1.00 0.00 C ATOM 544 O ARG A 328 7.126 10.687 -12.217 1.00 0.00 O ATOM 545 CB ARG A 328 10.233 10.213 -12.759 1.00 0.00 C ATOM 546 CG ARG A 328 10.113 9.290 -13.962 1.00 0.00 C ATOM 547 CD ARG A 328 10.898 9.798 -15.159 1.00 0.00 C ATOM 548 NE ARG A 328 10.546 9.070 -16.373 1.00 0.00 N ATOM 549 CZ ARG A 328 11.133 9.234 -17.552 1.00 0.00 C ATOM 550 NH1 ARG A 328 12.141 10.089 -17.696 1.00 0.00 N ATOM 551 NH2 ARG A 328 10.697 8.535 -18.590 1.00 0.00 N ATOM 0 H ARG A 328 10.010 7.877 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 328 9.322 10.645 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.028 11.236 -13.074 1.00 0.00 H new ATOM 0 HB3 ARG A 328 11.260 10.191 -12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 328 10.470 8.296 -13.692 1.00 0.00 H new ATOM 0 HG3 ARG A 328 9.063 9.188 -14.236 1.00 0.00 H new ATOM 0 HD2 ARG A 328 10.702 10.861 -15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 328 11.966 9.694 -14.967 1.00 0.00 H new ATOM 0 HE ARG A 328 9.793 8.384 -16.311 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.471 10.628 -16.895 1.00 0.00 H new ATOM 0 HH12 ARG A 328 12.584 10.206 -18.607 1.00 0.00 H new ATOM 0 HH21 ARG A 328 9.921 7.883 -18.476 1.00 0.00 H new ATOM 0 HH22 ARG A 328 11.137 8.649 -19.503 1.00 0.00 H new ATOM 565 N GLU A 329 7.480 8.485 -12.491 1.00 0.00 N ATOM 566 CA GLU A 329 6.182 8.230 -13.091 1.00 0.00 C ATOM 567 C GLU A 329 5.608 6.924 -12.558 1.00 0.00 C ATOM 568 O GLU A 329 6.355 6.057 -12.098 1.00 0.00 O ATOM 569 CB GLU A 329 6.329 8.159 -14.611 1.00 0.00 C ATOM 570 CG GLU A 329 7.246 7.037 -15.082 1.00 0.00 C ATOM 571 CD GLU A 329 7.497 7.060 -16.569 1.00 0.00 C ATOM 572 OE1 GLU A 329 6.538 6.854 -17.340 1.00 0.00 O ATOM 573 OE2 GLU A 329 8.655 7.285 -16.974 1.00 0.00 O ATOM 0 H GLU A 329 8.058 7.653 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 329 5.500 9.041 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 329 5.344 8.024 -15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.716 9.111 -14.975 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.199 7.111 -14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 329 6.806 6.078 -14.809 1.00 0.00 H new ATOM 580 N ILE A 330 4.295 6.797 -12.600 1.00 0.00 N ATOM 581 CA ILE A 330 3.636 5.551 -12.245 1.00 0.00 C ATOM 582 C ILE A 330 3.644 4.610 -13.442 1.00 0.00 C ATOM 583 O ILE A 330 3.132 4.957 -14.515 1.00 0.00 O ATOM 584 CB ILE A 330 2.179 5.784 -11.777 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.155 6.699 -10.547 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.494 4.456 -11.467 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.763 6.990 -10.028 1.00 0.00 C ATOM 0 H ILE A 330 3.660 7.545 -12.878 1.00 0.00 H new ATOM 0 HA ILE A 330 4.186 5.107 -11.415 1.00 0.00 H new ATOM 0 HB ILE A 330 1.632 6.271 -12.584 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.740 6.238 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.644 7.641 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.471 4.642 -11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.481 3.835 -12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.040 3.941 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.828 7.643 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.179 7.481 -10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.278 6.056 -9.745 1.00 0.00 H new ATOM 599 N PRO A 331 4.253 3.425 -13.294 1.00 0.00 N ATOM 600 CA PRO A 331 4.336 2.433 -14.366 1.00 0.00 C ATOM 601 C PRO A 331 3.003 1.736 -14.627 1.00 0.00 C ATOM 602 O PRO A 331 2.120 1.699 -13.764 1.00 0.00 O ATOM 603 CB PRO A 331 5.367 1.430 -13.842 1.00 0.00 C ATOM 604 CG PRO A 331 5.273 1.532 -12.361 1.00 0.00 C ATOM 605 CD PRO A 331 4.920 2.961 -12.058 1.00 0.00 C ATOM 0 HA PRO A 331 4.606 2.890 -15.318 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.146 0.419 -14.184 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.370 1.673 -14.193 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.514 0.853 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.218 1.257 -11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.260 3.036 -11.194 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.807 3.554 -11.834 1.00 0.00 H new ATOM 613 N SER A 332 2.865 1.194 -15.825 1.00 0.00 N ATOM 614 CA SER A 332 1.660 0.486 -16.216 1.00 0.00 C ATOM 615 C SER A 332 1.836 -1.016 -15.987 1.00 0.00 C ATOM 616 O SER A 332 2.675 -1.652 -16.634 1.00 0.00 O ATOM 617 CB SER A 332 1.338 0.773 -17.683 1.00 0.00 C ATOM 618 OG SER A 332 0.164 0.097 -18.103 1.00 0.00 O ATOM 0 H SER A 332 3.581 1.232 -16.550 1.00 0.00 H new ATOM 0 HA SER A 332 0.828 0.833 -15.604 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.211 1.846 -17.825 1.00 0.00 H new ATOM 0 HB3 SER A 332 2.178 0.467 -18.307 1.00 0.00 H new ATOM 0 HG SER A 332 -0.013 0.304 -19.044 1.00 0.00 H new ATOM 624 N GLY A 333 1.065 -1.573 -15.059 1.00 0.00 N ATOM 625 CA GLY A 333 1.115 -2.999 -14.818 1.00 0.00 C ATOM 626 C GLY A 333 1.245 -3.322 -13.343 1.00 0.00 C ATOM 627 O GLY A 333 1.051 -2.452 -12.491 1.00 0.00 O ATOM 0 H GLY A 333 0.408 -1.061 -14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.212 -3.465 -15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 333 1.958 -3.429 -15.359 1.00 0.00 H new ATOM 631 N THR A 334 1.567 -4.574 -13.042 1.00 0.00 N ATOM 632 CA THR A 334 1.755 -5.007 -11.670 1.00 0.00 C ATOM 633 C THR A 334 3.085 -4.513 -11.109 1.00 0.00 C ATOM 634 O THR A 334 4.152 -4.836 -11.634 1.00 0.00 O ATOM 635 CB THR A 334 1.697 -6.541 -11.557 1.00 0.00 C ATOM 636 OG1 THR A 334 2.477 -7.143 -12.601 1.00 0.00 O ATOM 637 CG2 THR A 334 0.267 -7.043 -11.628 1.00 0.00 C ATOM 0 H THR A 334 1.703 -5.308 -13.737 1.00 0.00 H new ATOM 0 HA THR A 334 0.941 -4.575 -11.087 1.00 0.00 H new ATOM 0 HB THR A 334 2.110 -6.823 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.316 -6.649 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.258 -8.130 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.311 -6.612 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 334 -0.175 -6.748 -12.579 1.00 0.00 H new ATOM 645 N TRP A 335 3.008 -3.730 -10.049 1.00 0.00 N ATOM 646 CA TRP A 335 4.192 -3.159 -9.425 1.00 0.00 C ATOM 647 C TRP A 335 4.437 -3.809 -8.070 1.00 0.00 C ATOM 648 O TRP A 335 3.495 -4.084 -7.327 1.00 0.00 O ATOM 649 CB TRP A 335 4.031 -1.643 -9.272 1.00 0.00 C ATOM 650 CG TRP A 335 5.226 -0.970 -8.664 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.439 -0.764 -9.265 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.322 -0.411 -7.352 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.287 -0.119 -8.389 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.623 0.114 -7.216 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.438 -0.303 -6.276 1.00 0.00 C ATOM 656 CZ2 TRP A 335 7.056 0.734 -6.048 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.869 0.316 -5.113 1.00 0.00 C ATOM 658 CH2 TRP A 335 6.169 0.826 -5.008 1.00 0.00 C ATOM 0 H TRP A 335 2.131 -3.472 -9.597 1.00 0.00 H new ATOM 0 HA TRP A 335 5.054 -3.353 -10.063 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.838 -1.206 -10.252 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.156 -1.440 -8.654 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.693 -1.061 -10.272 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.253 0.142 -8.584 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.435 -0.696 -6.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 8.058 1.129 -5.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 4.193 0.406 -4.276 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.478 1.301 -4.089 1.00 0.00 H new ATOM 669 N ARG A 336 5.699 -4.056 -7.753 1.00 0.00 N ATOM 670 CA ARG A 336 6.058 -4.713 -6.512 1.00 0.00 C ATOM 671 C ARG A 336 7.053 -3.847 -5.754 1.00 0.00 C ATOM 672 O ARG A 336 8.121 -3.525 -6.269 1.00 0.00 O ATOM 673 CB ARG A 336 6.641 -6.103 -6.782 1.00 0.00 C ATOM 674 CG ARG A 336 5.679 -7.022 -7.515 1.00 0.00 C ATOM 675 CD ARG A 336 6.250 -8.418 -7.698 1.00 0.00 C ATOM 676 NE ARG A 336 5.360 -9.265 -8.493 1.00 0.00 N ATOM 677 CZ ARG A 336 5.217 -10.580 -8.313 1.00 0.00 C ATOM 678 NH1 ARG A 336 5.881 -11.207 -7.351 1.00 0.00 N ATOM 679 NH2 ARG A 336 4.387 -11.265 -9.092 1.00 0.00 N ATOM 0 H ARG A 336 6.493 -3.809 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 336 5.163 -4.844 -5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.554 -6.000 -7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 336 6.922 -6.563 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.743 -7.084 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.444 -6.596 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.223 -8.353 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.413 -8.876 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 336 4.814 -8.822 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 336 6.508 -10.684 -6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 336 5.764 -12.212 -7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 336 3.862 -10.786 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 336 4.274 -12.270 -8.958 1.00 0.00 H new ATOM 693 N CYS A 337 6.683 -3.455 -4.552 1.00 0.00 N ATOM 694 CA CYS A 337 7.497 -2.542 -3.761 1.00 0.00 C ATOM 695 C CYS A 337 8.762 -3.217 -3.237 1.00 0.00 C ATOM 696 O CYS A 337 8.966 -4.417 -3.450 1.00 0.00 O ATOM 697 CB CYS A 337 6.683 -1.969 -2.597 1.00 0.00 C ATOM 698 SG CYS A 337 6.130 -3.208 -1.381 1.00 0.00 S ATOM 0 H CYS A 337 5.821 -3.753 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 337 7.804 -1.728 -4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.284 -1.218 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.809 -1.457 -2.999 1.00 0.00 H new ATOM 0 HG CYS A 337 5.999 -4.362 -1.966 1.00 0.00 H new ATOM 703 N SER A 338 9.588 -2.461 -2.523 1.00 0.00 N ATOM 704 CA SER A 338 10.860 -2.967 -2.029 1.00 0.00 C ATOM 705 C SER A 338 10.643 -4.160 -1.095 1.00 0.00 C ATOM 706 O SER A 338 11.379 -5.148 -1.150 1.00 0.00 O ATOM 707 CB SER A 338 11.622 -1.850 -1.309 1.00 0.00 C ATOM 708 OG SER A 338 10.779 -1.155 -0.401 1.00 0.00 O ATOM 0 H SER A 338 9.397 -1.491 -2.273 1.00 0.00 H new ATOM 0 HA SER A 338 11.454 -3.308 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 338 12.470 -2.273 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.026 -1.151 -2.042 1.00 0.00 H new ATOM 0 HG SER A 338 11.291 -0.449 0.046 1.00 0.00 H new ATOM 714 N SER A 339 9.612 -4.063 -0.264 1.00 0.00 N ATOM 715 CA SER A 339 9.223 -5.150 0.630 1.00 0.00 C ATOM 716 C SER A 339 8.951 -6.437 -0.161 1.00 0.00 C ATOM 717 O SER A 339 9.470 -7.500 0.175 1.00 0.00 O ATOM 718 CB SER A 339 7.980 -4.738 1.420 1.00 0.00 C ATOM 719 OG SER A 339 8.152 -3.450 1.996 1.00 0.00 O ATOM 0 H SER A 339 9.024 -3.233 -0.190 1.00 0.00 H new ATOM 0 HA SER A 339 10.042 -5.348 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.111 -4.734 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.783 -5.469 2.204 1.00 0.00 H new ATOM 0 HG SER A 339 7.345 -3.205 2.495 1.00 0.00 H new ATOM 725 N CYS A 340 8.158 -6.325 -1.217 1.00 0.00 N ATOM 726 CA CYS A 340 7.838 -7.471 -2.072 1.00 0.00 C ATOM 727 C CYS A 340 9.087 -8.030 -2.746 1.00 0.00 C ATOM 728 O CYS A 340 9.243 -9.245 -2.879 1.00 0.00 O ATOM 729 CB CYS A 340 6.823 -7.078 -3.138 1.00 0.00 C ATOM 730 SG CYS A 340 5.253 -6.443 -2.476 1.00 0.00 S ATOM 0 H CYS A 340 7.720 -5.451 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 340 7.412 -8.244 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.266 -6.319 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.616 -7.946 -3.764 1.00 0.00 H new ATOM 0 HG CYS A 340 4.668 -5.709 -3.376 1.00 0.00 H new ATOM 735 N LEU A 341 9.977 -7.138 -3.164 1.00 0.00 N ATOM 736 CA LEU A 341 11.220 -7.537 -3.815 1.00 0.00 C ATOM 737 C LEU A 341 12.125 -8.282 -2.844 1.00 0.00 C ATOM 738 O LEU A 341 12.971 -9.078 -3.245 1.00 0.00 O ATOM 739 CB LEU A 341 11.951 -6.310 -4.372 1.00 0.00 C ATOM 740 CG LEU A 341 11.175 -5.508 -5.424 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.965 -4.278 -5.843 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.857 -6.380 -6.621 1.00 0.00 C ATOM 0 H LEU A 341 9.861 -6.130 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 341 10.969 -8.205 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.198 -5.647 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 341 12.894 -6.637 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 341 10.235 -5.174 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.400 -3.720 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.141 -3.645 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.921 -4.586 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.306 -5.797 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.785 -6.743 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.251 -7.228 -6.303 1.00 0.00 H new