USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 299 CYS SG : rot 171:sc= -3.03! USER MOD Set 1.2: A 302 CYS SG : rot -49:sc= -0.275 USER MOD Set 1.3: A 319 HIS : no HD1:sc= -0.023 K(o=-5.2,f=-8.5!) USER MOD Set 1.4: A 322 CYS SG : rot 70:sc= -1.91! USER MOD Set 2.1: A 311 CYS SG : rot 16:sc= 2.82 USER MOD Set 2.2: A 314 CYS SG : rot 61:sc= 1.33 USER MOD Set 2.3: A 337 CYS SG : rot -72:sc= 0.723 USER MOD Set 2.4: A 340 CYS SG : rot 144:sc= 2.54 USER MOD Set 3.1: A 295 ASN : amide:sc= 0 X(o=0.07,f=0.081) USER MOD Set 3.2: A 310 CYS SG : rot 33:sc= 0.0696 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 41:sc= 0.2 USER MOD Single : A 338 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 339 SER OG : rot 180:sc= 0.00742 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.660 -2.026 -0.574 1.00 0.00 N ATOM 86 CA ASN A 295 -5.511 -1.176 -0.846 1.00 0.00 C ATOM 87 C ASN A 295 -5.507 -0.018 0.134 1.00 0.00 C ATOM 88 O ASN A 295 -6.549 0.593 0.379 1.00 0.00 O ATOM 89 CB ASN A 295 -5.557 -0.621 -2.278 1.00 0.00 C ATOM 90 CG ASN A 295 -5.392 -1.689 -3.338 1.00 0.00 C ATOM 91 OD1 ASN A 295 -6.371 -2.258 -3.819 1.00 0.00 O ATOM 92 ND2 ASN A 295 -4.156 -1.959 -3.729 1.00 0.00 N ATOM 0 HA ASN A 295 -4.606 -1.774 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -6.507 -0.109 -2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.771 0.124 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.991 -2.659 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -3.369 -1.467 -3.307 1.00 0.00 H new ATOM 99 N GLU A 296 -4.351 0.282 0.701 1.00 0.00 N ATOM 100 CA GLU A 296 -4.242 1.378 1.644 1.00 0.00 C ATOM 101 C GLU A 296 -4.380 2.697 0.891 1.00 0.00 C ATOM 102 O GLU A 296 -3.691 2.924 -0.098 1.00 0.00 O ATOM 103 CB GLU A 296 -2.886 1.334 2.348 1.00 0.00 C ATOM 104 CG GLU A 296 -2.477 -0.051 2.834 1.00 0.00 C ATOM 105 CD GLU A 296 -3.364 -0.597 3.930 1.00 0.00 C ATOM 106 OE1 GLU A 296 -3.153 -0.223 5.101 1.00 0.00 O ATOM 107 OE2 GLU A 296 -4.248 -1.427 3.634 1.00 0.00 O ATOM 0 H GLU A 296 -3.479 -0.217 0.525 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.031 1.290 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.123 1.707 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.910 2.013 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -2.490 -0.741 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.450 -0.011 3.196 1.00 0.00 H new ATOM 114 N ASP A 297 -5.270 3.560 1.352 1.00 0.00 N ATOM 115 CA ASP A 297 -5.493 4.849 0.696 1.00 0.00 C ATOM 116 C ASP A 297 -4.553 5.910 1.253 1.00 0.00 C ATOM 117 O ASP A 297 -4.854 7.106 1.204 1.00 0.00 O ATOM 118 CB ASP A 297 -6.945 5.306 0.873 1.00 0.00 C ATOM 119 CG ASP A 297 -7.951 4.311 0.336 1.00 0.00 C ATOM 120 OD1 ASP A 297 -8.226 4.338 -0.883 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.477 3.500 1.127 1.00 0.00 O ATOM 0 H ASP A 297 -5.851 3.397 2.175 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.290 4.719 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.140 5.475 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -7.083 6.262 0.367 1.00 0.00 H new ATOM 126 N GLU A 298 -3.415 5.475 1.766 1.00 0.00 N ATOM 127 CA GLU A 298 -2.454 6.372 2.389 1.00 0.00 C ATOM 128 C GLU A 298 -1.038 5.928 2.047 1.00 0.00 C ATOM 129 O GLU A 298 -0.730 4.736 2.081 1.00 0.00 O ATOM 130 CB GLU A 298 -2.639 6.370 3.913 1.00 0.00 C ATOM 131 CG GLU A 298 -4.029 6.783 4.365 1.00 0.00 C ATOM 132 CD GLU A 298 -4.244 6.583 5.846 1.00 0.00 C ATOM 133 OE1 GLU A 298 -4.469 5.427 6.266 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.205 7.577 6.595 1.00 0.00 O ATOM 0 H GLU A 298 -3.131 4.495 1.763 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.619 7.381 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.426 5.371 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.907 7.044 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.190 7.832 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.772 6.207 3.813 1.00 0.00 H new ATOM 141 N CYS A 299 -0.191 6.883 1.693 1.00 0.00 N ATOM 142 CA CYS A 299 1.215 6.598 1.458 1.00 0.00 C ATOM 143 C CYS A 299 1.898 6.249 2.762 1.00 0.00 C ATOM 144 O CYS A 299 2.096 7.112 3.608 1.00 0.00 O ATOM 145 CB CYS A 299 1.913 7.795 0.809 1.00 0.00 C ATOM 146 SG CYS A 299 3.714 7.588 0.618 1.00 0.00 S ATOM 0 H CYS A 299 -0.453 7.860 1.563 1.00 0.00 H new ATOM 0 HA CYS A 299 1.283 5.749 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.472 7.972 -0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.721 8.684 1.410 1.00 0.00 H new ATOM 0 HG CYS A 299 4.188 8.559 -0.105 1.00 0.00 H new ATOM 151 N ALA A 300 2.233 4.974 2.926 1.00 0.00 N ATOM 152 CA ALA A 300 2.897 4.470 4.132 1.00 0.00 C ATOM 153 C ALA A 300 4.097 5.325 4.564 1.00 0.00 C ATOM 154 O ALA A 300 4.489 5.303 5.722 1.00 0.00 O ATOM 155 CB ALA A 300 3.333 3.029 3.922 1.00 0.00 C ATOM 0 H ALA A 300 2.053 4.255 2.226 1.00 0.00 H new ATOM 0 HA ALA A 300 2.166 4.526 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.825 2.663 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.460 2.412 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.027 2.977 3.083 1.00 0.00 H new ATOM 161 N VAL A 301 4.669 6.076 3.629 1.00 0.00 N ATOM 162 CA VAL A 301 5.809 6.933 3.932 1.00 0.00 C ATOM 163 C VAL A 301 5.391 8.172 4.737 1.00 0.00 C ATOM 164 O VAL A 301 5.861 8.376 5.859 1.00 0.00 O ATOM 165 CB VAL A 301 6.537 7.384 2.639 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.733 8.266 2.974 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.973 6.176 1.825 1.00 0.00 C ATOM 0 H VAL A 301 4.362 6.109 2.657 1.00 0.00 H new ATOM 0 HA VAL A 301 6.492 6.337 4.537 1.00 0.00 H new ATOM 0 HB VAL A 301 5.840 7.970 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.229 8.571 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.393 9.150 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.433 7.709 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.482 6.511 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.652 5.563 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.098 5.587 1.551 1.00 0.00 H new ATOM 177 N CYS A 302 4.507 8.992 4.176 1.00 0.00 N ATOM 178 CA CYS A 302 4.164 10.276 4.790 1.00 0.00 C ATOM 179 C CYS A 302 2.697 10.349 5.228 1.00 0.00 C ATOM 180 O CYS A 302 2.235 11.391 5.690 1.00 0.00 O ATOM 181 CB CYS A 302 4.474 11.412 3.821 1.00 0.00 C ATOM 182 SG CYS A 302 3.719 11.196 2.177 1.00 0.00 S ATOM 0 H CYS A 302 4.017 8.795 3.304 1.00 0.00 H new ATOM 0 HA CYS A 302 4.772 10.375 5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.125 12.351 4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.555 11.496 3.707 1.00 0.00 H new ATOM 0 HG CYS A 302 3.973 10.000 1.736 1.00 0.00 H new ATOM 187 N ARG A 303 1.981 9.233 5.085 1.00 0.00 N ATOM 188 CA ARG A 303 0.552 9.151 5.411 1.00 0.00 C ATOM 189 C ARG A 303 -0.263 10.201 4.657 1.00 0.00 C ATOM 190 O ARG A 303 -1.214 10.769 5.187 1.00 0.00 O ATOM 191 CB ARG A 303 0.324 9.256 6.917 1.00 0.00 C ATOM 192 CG ARG A 303 0.736 7.999 7.658 1.00 0.00 C ATOM 193 CD ARG A 303 0.472 8.116 9.149 1.00 0.00 C ATOM 194 NE ARG A 303 0.721 6.850 9.843 1.00 0.00 N ATOM 195 CZ ARG A 303 1.646 6.684 10.788 1.00 0.00 C ATOM 196 NH1 ARG A 303 2.426 7.692 11.150 1.00 0.00 N ATOM 197 NH2 ARG A 303 1.795 5.502 11.368 1.00 0.00 N ATOM 0 H ARG A 303 2.374 8.358 4.739 1.00 0.00 H new ATOM 0 HA ARG A 303 0.201 8.172 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.886 10.104 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.730 9.457 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 303 0.190 7.145 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 303 1.796 7.808 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.108 8.894 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -0.561 8.424 9.313 1.00 0.00 H new ATOM 0 HE ARG A 303 0.150 6.044 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 303 2.321 8.604 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 303 3.131 7.556 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 303 1.202 4.720 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 303 2.503 5.374 12.091 1.00 0.00 H new ATOM 211 N ASP A 304 0.111 10.439 3.411 1.00 0.00 N ATOM 212 CA ASP A 304 -0.599 11.387 2.562 1.00 0.00 C ATOM 213 C ASP A 304 -1.154 10.666 1.341 1.00 0.00 C ATOM 214 O ASP A 304 -0.732 9.550 1.037 1.00 0.00 O ATOM 215 CB ASP A 304 0.346 12.515 2.141 1.00 0.00 C ATOM 216 CG ASP A 304 -0.348 13.597 1.346 1.00 0.00 C ATOM 217 OD1 ASP A 304 -1.437 14.042 1.758 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.196 14.023 0.305 1.00 0.00 O ATOM 0 H ASP A 304 0.907 9.987 2.961 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.430 11.822 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 304 0.796 12.956 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.159 12.098 1.546 1.00 0.00 H new ATOM 223 N GLY A 305 -2.103 11.286 0.659 1.00 0.00 N ATOM 224 CA GLY A 305 -2.688 10.674 -0.514 1.00 0.00 C ATOM 225 C GLY A 305 -2.454 11.509 -1.755 1.00 0.00 C ATOM 226 O GLY A 305 -1.531 12.321 -1.800 1.00 0.00 O ATOM 0 H GLY A 305 -2.479 12.204 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.262 9.681 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.759 10.542 -0.360 1.00 0.00 H new ATOM 230 N GLY A 306 -3.285 11.319 -2.762 1.00 0.00 N ATOM 231 CA GLY A 306 -3.155 12.085 -3.987 1.00 0.00 C ATOM 232 C GLY A 306 -2.656 11.243 -5.141 1.00 0.00 C ATOM 233 O GLY A 306 -3.337 10.311 -5.572 1.00 0.00 O ATOM 0 H GLY A 306 -4.052 10.646 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.121 12.517 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.468 12.915 -3.822 1.00 0.00 H new ATOM 237 N GLU A 307 -1.468 11.562 -5.630 1.00 0.00 N ATOM 238 CA GLU A 307 -0.865 10.810 -6.723 1.00 0.00 C ATOM 239 C GLU A 307 -0.196 9.560 -6.172 1.00 0.00 C ATOM 240 O GLU A 307 1.033 9.477 -6.086 1.00 0.00 O ATOM 241 CB GLU A 307 0.163 11.670 -7.468 1.00 0.00 C ATOM 242 CG GLU A 307 -0.363 13.031 -7.898 1.00 0.00 C ATOM 243 CD GLU A 307 -1.568 12.939 -8.811 1.00 0.00 C ATOM 244 OE1 GLU A 307 -1.380 12.781 -10.038 1.00 0.00 O ATOM 245 OE2 GLU A 307 -2.708 13.040 -8.310 1.00 0.00 O ATOM 0 H GLU A 307 -0.900 12.337 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.647 10.524 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 307 1.033 11.814 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.503 11.128 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -0.629 13.608 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 307 0.431 13.577 -8.408 1.00 0.00 H new ATOM 252 N LEU A 308 -1.007 8.590 -5.785 1.00 0.00 N ATOM 253 CA LEU A 308 -0.506 7.408 -5.102 1.00 0.00 C ATOM 254 C LEU A 308 -0.276 6.262 -6.069 1.00 0.00 C ATOM 255 O LEU A 308 -0.944 6.145 -7.104 1.00 0.00 O ATOM 256 CB LEU A 308 -1.488 6.955 -4.024 1.00 0.00 C ATOM 257 CG LEU A 308 -1.579 7.856 -2.797 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.619 7.322 -1.824 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.223 7.964 -2.122 1.00 0.00 C ATOM 0 H LEU A 308 -2.016 8.597 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 308 0.446 7.680 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.479 6.877 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.206 5.954 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.886 8.852 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.672 7.976 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.592 7.289 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.339 6.318 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.302 8.610 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.109 6.973 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.499 8.386 -2.821 1.00 0.00 H new ATOM 271 N ILE A 309 0.682 5.425 -5.731 1.00 0.00 N ATOM 272 CA ILE A 309 0.884 4.163 -6.407 1.00 0.00 C ATOM 273 C ILE A 309 0.899 3.040 -5.368 1.00 0.00 C ATOM 274 O ILE A 309 1.743 3.019 -4.469 1.00 0.00 O ATOM 275 CB ILE A 309 2.187 4.150 -7.243 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.425 2.756 -7.838 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.387 4.597 -6.414 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.647 2.669 -8.720 1.00 0.00 C ATOM 0 H ILE A 309 1.345 5.602 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 309 0.062 4.012 -7.107 1.00 0.00 H new ATOM 0 HB ILE A 309 2.069 4.863 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.523 2.037 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.549 2.464 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.284 4.576 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.221 5.611 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.515 3.924 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.748 1.653 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.544 3.363 -9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.533 2.928 -8.141 1.00 0.00 H new ATOM 290 N CYS A 310 -0.063 2.138 -5.463 1.00 0.00 N ATOM 291 CA CYS A 310 -0.168 1.046 -4.506 1.00 0.00 C ATOM 292 C CYS A 310 0.490 -0.201 -5.072 1.00 0.00 C ATOM 293 O CYS A 310 0.295 -0.543 -6.246 1.00 0.00 O ATOM 294 CB CYS A 310 -1.640 0.772 -4.193 1.00 0.00 C ATOM 295 SG CYS A 310 -2.673 0.495 -5.648 1.00 0.00 S ATOM 0 H CYS A 310 -0.780 2.138 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 310 0.343 1.325 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.704 -0.102 -3.545 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.043 1.615 -3.632 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.973 -0.095 -6.571 1.00 0.00 H new ATOM 301 N CYS A 311 1.294 -0.854 -4.256 1.00 0.00 N ATOM 302 CA CYS A 311 1.971 -2.071 -4.665 1.00 0.00 C ATOM 303 C CYS A 311 0.971 -3.179 -4.991 1.00 0.00 C ATOM 304 O CYS A 311 -0.111 -3.257 -4.405 1.00 0.00 O ATOM 305 CB CYS A 311 2.928 -2.518 -3.575 1.00 0.00 C ATOM 306 SG CYS A 311 3.832 -4.052 -3.953 1.00 0.00 S ATOM 0 H CYS A 311 1.496 -0.561 -3.300 1.00 0.00 H new ATOM 0 HA CYS A 311 2.537 -1.862 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.649 -1.721 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.367 -2.659 -2.651 1.00 0.00 H new ATOM 0 HG CYS A 311 3.736 -4.311 -5.223 1.00 0.00 H new ATOM 311 N ASP A 312 1.348 -4.028 -5.933 1.00 0.00 N ATOM 312 CA ASP A 312 0.489 -5.117 -6.378 1.00 0.00 C ATOM 313 C ASP A 312 0.733 -6.380 -5.569 1.00 0.00 C ATOM 314 O ASP A 312 0.080 -7.398 -5.778 1.00 0.00 O ATOM 315 CB ASP A 312 0.693 -5.395 -7.859 1.00 0.00 C ATOM 316 CG ASP A 312 -0.024 -4.389 -8.726 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.543 -3.304 -8.986 1.00 0.00 O ATOM 318 OD2 ASP A 312 -1.161 -4.677 -9.156 1.00 0.00 O ATOM 0 H ASP A 312 2.250 -3.984 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.544 -4.806 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.759 -5.377 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 312 0.333 -6.397 -8.093 1.00 0.00 H new ATOM 323 N GLY A 313 1.686 -6.307 -4.651 1.00 0.00 N ATOM 324 CA GLY A 313 1.923 -7.402 -3.736 1.00 0.00 C ATOM 325 C GLY A 313 1.558 -7.014 -2.316 1.00 0.00 C ATOM 326 O GLY A 313 1.083 -7.835 -1.535 1.00 0.00 O ATOM 0 H GLY A 313 2.302 -5.504 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.337 -8.269 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.972 -7.695 -3.778 1.00 0.00 H new ATOM 330 N CYS A 314 1.784 -5.752 -1.999 1.00 0.00 N ATOM 331 CA CYS A 314 1.413 -5.202 -0.709 1.00 0.00 C ATOM 332 C CYS A 314 0.411 -4.079 -0.923 1.00 0.00 C ATOM 333 O CYS A 314 0.669 -3.175 -1.711 1.00 0.00 O ATOM 334 CB CYS A 314 2.642 -4.681 0.044 1.00 0.00 C ATOM 335 SG CYS A 314 3.856 -5.966 0.474 1.00 0.00 S ATOM 0 H CYS A 314 2.228 -5.082 -2.627 1.00 0.00 H new ATOM 0 HA CYS A 314 0.965 -5.989 -0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.133 -3.923 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.312 -4.189 0.959 1.00 0.00 H new ATOM 0 HG CYS A 314 4.298 -6.527 -0.613 1.00 0.00 H new ATOM 340 N PRO A 315 -0.738 -4.107 -0.228 1.00 0.00 N ATOM 341 CA PRO A 315 -1.801 -3.095 -0.386 1.00 0.00 C ATOM 342 C PRO A 315 -1.329 -1.674 -0.070 1.00 0.00 C ATOM 343 O PRO A 315 -2.017 -0.699 -0.360 1.00 0.00 O ATOM 344 CB PRO A 315 -2.866 -3.530 0.623 1.00 0.00 C ATOM 345 CG PRO A 315 -2.595 -4.973 0.875 1.00 0.00 C ATOM 346 CD PRO A 315 -1.108 -5.134 0.763 1.00 0.00 C ATOM 0 HA PRO A 315 -2.153 -3.051 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.798 -2.950 1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.870 -3.381 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -2.947 -5.271 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -3.112 -5.601 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.611 -4.970 1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.834 -6.135 0.429 1.00 0.00 H new ATOM 354 N ARG A 316 -0.151 -1.584 0.533 1.00 0.00 N ATOM 355 CA ARG A 316 0.445 -0.313 0.936 1.00 0.00 C ATOM 356 C ARG A 316 0.660 0.605 -0.267 1.00 0.00 C ATOM 357 O ARG A 316 1.179 0.179 -1.303 1.00 0.00 O ATOM 358 CB ARG A 316 1.775 -0.576 1.643 1.00 0.00 C ATOM 359 CG ARG A 316 1.626 -1.496 2.839 1.00 0.00 C ATOM 360 CD ARG A 316 2.965 -1.983 3.371 1.00 0.00 C ATOM 361 NE ARG A 316 2.778 -3.021 4.375 1.00 0.00 N ATOM 362 CZ ARG A 316 3.540 -4.105 4.491 1.00 0.00 C ATOM 363 NH1 ARG A 316 4.620 -4.254 3.733 1.00 0.00 N ATOM 364 NH2 ARG A 316 3.230 -5.030 5.389 1.00 0.00 N ATOM 0 H ARG A 316 0.424 -2.396 0.759 1.00 0.00 H new ATOM 0 HA ARG A 316 -0.240 0.189 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.478 -1.016 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.203 0.372 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.093 -0.972 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.016 -2.355 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.568 -2.370 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.515 -1.147 3.804 1.00 0.00 H new ATOM 0 HE ARG A 316 2.009 -2.909 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.871 -3.534 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 316 5.199 -5.088 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 316 2.412 -4.908 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 316 3.810 -5.864 5.483 1.00 0.00 H new ATOM 378 N ALA A 317 0.256 1.860 -0.112 1.00 0.00 N ATOM 379 CA ALA A 317 0.408 2.853 -1.168 1.00 0.00 C ATOM 380 C ALA A 317 1.608 3.745 -0.886 1.00 0.00 C ATOM 381 O ALA A 317 2.013 3.915 0.265 1.00 0.00 O ATOM 382 CB ALA A 317 -0.855 3.691 -1.299 1.00 0.00 C ATOM 0 H ALA A 317 -0.181 2.215 0.738 1.00 0.00 H new ATOM 0 HA ALA A 317 0.575 2.332 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.723 4.427 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.698 3.044 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.051 4.204 -0.357 1.00 0.00 H new ATOM 388 N PHE A 318 2.171 4.313 -1.943 1.00 0.00 N ATOM 389 CA PHE A 318 3.360 5.151 -1.833 1.00 0.00 C ATOM 390 C PHE A 318 3.302 6.308 -2.816 1.00 0.00 C ATOM 391 O PHE A 318 2.497 6.300 -3.748 1.00 0.00 O ATOM 392 CB PHE A 318 4.621 4.324 -2.106 1.00 0.00 C ATOM 393 CG PHE A 318 4.812 3.166 -1.164 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.335 3.365 0.102 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.470 1.878 -1.550 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.513 2.302 0.972 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.647 0.813 -0.685 1.00 0.00 C ATOM 398 CZ PHE A 318 5.169 1.026 0.571 1.00 0.00 C ATOM 0 H PHE A 318 1.821 4.208 -2.895 1.00 0.00 H new ATOM 0 HA PHE A 318 3.394 5.548 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.580 3.945 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.491 4.977 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.608 4.362 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.062 1.705 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.919 2.470 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.376 -0.185 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.310 0.193 1.244 1.00 0.00 H new ATOM 408 N HIS A 319 4.146 7.310 -2.600 1.00 0.00 N ATOM 409 CA HIS A 319 4.321 8.403 -3.544 1.00 0.00 C ATOM 410 C HIS A 319 5.607 8.193 -4.326 1.00 0.00 C ATOM 411 O HIS A 319 6.570 7.637 -3.795 1.00 0.00 O ATOM 412 CB HIS A 319 4.374 9.764 -2.846 1.00 0.00 C ATOM 413 CG HIS A 319 3.046 10.280 -2.382 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.753 10.411 -1.053 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.989 10.717 -3.113 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.538 10.927 -0.999 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.035 11.126 -2.216 1.00 0.00 N ATOM 0 H HIS A 319 4.727 7.386 -1.765 1.00 0.00 H new ATOM 0 HA HIS A 319 3.460 8.403 -4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.041 9.691 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.813 10.491 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.914 10.739 -4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.017 11.159 -0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.116 11.509 -2.439 1.00 0.00 H new ATOM 425 N LEU A 320 5.628 8.652 -5.571 1.00 0.00 N ATOM 426 CA LEU A 320 6.738 8.373 -6.483 1.00 0.00 C ATOM 427 C LEU A 320 8.093 8.780 -5.896 1.00 0.00 C ATOM 428 O LEU A 320 8.995 7.949 -5.768 1.00 0.00 O ATOM 429 CB LEU A 320 6.523 9.087 -7.811 1.00 0.00 C ATOM 430 CG LEU A 320 5.269 8.669 -8.585 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.155 9.460 -9.873 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.289 7.173 -8.871 1.00 0.00 C ATOM 0 H LEU A 320 4.886 9.222 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 320 6.756 7.294 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.473 10.160 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.394 8.914 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 320 4.395 8.885 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.259 9.151 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 320 5.092 10.523 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 320 6.032 9.275 -10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.390 6.896 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.169 6.928 -9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.323 6.623 -7.930 1.00 0.00 H new ATOM 444 N ALA A 321 8.231 10.047 -5.520 1.00 0.00 N ATOM 445 CA ALA A 321 9.510 10.573 -5.051 1.00 0.00 C ATOM 446 C ALA A 321 9.816 10.141 -3.628 1.00 0.00 C ATOM 447 O ALA A 321 10.967 10.192 -3.189 1.00 0.00 O ATOM 448 CB ALA A 321 9.520 12.090 -5.157 1.00 0.00 C ATOM 0 H ALA A 321 7.473 10.730 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 321 10.291 10.160 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.478 12.473 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.372 12.383 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.717 12.503 -4.546 1.00 0.00 H new ATOM 454 N CYS A 322 8.788 9.725 -2.900 1.00 0.00 N ATOM 455 CA CYS A 322 8.967 9.254 -1.534 1.00 0.00 C ATOM 456 C CYS A 322 9.594 7.867 -1.533 1.00 0.00 C ATOM 457 O CYS A 322 10.199 7.443 -0.546 1.00 0.00 O ATOM 458 CB CYS A 322 7.632 9.230 -0.788 1.00 0.00 C ATOM 459 SG CYS A 322 6.830 10.861 -0.662 1.00 0.00 S ATOM 0 H CYS A 322 7.824 9.704 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 322 9.635 9.944 -1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.956 8.541 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.794 8.837 0.216 1.00 0.00 H new ATOM 0 HG CYS A 322 6.408 11.229 -1.835 1.00 0.00 H new ATOM 464 N LEU A 323 9.436 7.162 -2.646 1.00 0.00 N ATOM 465 CA LEU A 323 10.053 5.858 -2.836 1.00 0.00 C ATOM 466 C LEU A 323 11.557 5.991 -3.018 1.00 0.00 C ATOM 467 O LEU A 323 12.060 7.047 -3.394 1.00 0.00 O ATOM 468 CB LEU A 323 9.447 5.167 -4.054 1.00 0.00 C ATOM 469 CG LEU A 323 7.989 4.749 -3.894 1.00 0.00 C ATOM 470 CD1 LEU A 323 7.397 4.344 -5.234 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.884 3.606 -2.903 1.00 0.00 C ATOM 0 H LEU A 323 8.878 7.478 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 323 9.863 5.258 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.526 5.836 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.041 4.282 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 323 7.422 5.599 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 323 6.356 4.049 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 323 7.448 5.186 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.961 3.506 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.840 3.313 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.463 2.756 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 323 8.274 3.925 -1.936 1.00 0.00 H new ATOM 483 N SER A 324 12.269 4.921 -2.708 1.00 0.00 N ATOM 484 CA SER A 324 13.699 4.858 -2.947 1.00 0.00 C ATOM 485 C SER A 324 14.057 3.522 -3.600 1.00 0.00 C ATOM 486 O SER A 324 13.876 2.468 -2.989 1.00 0.00 O ATOM 487 CB SER A 324 14.456 5.035 -1.628 1.00 0.00 C ATOM 488 OG SER A 324 14.122 6.270 -1.010 1.00 0.00 O ATOM 0 H SER A 324 11.876 4.079 -2.287 1.00 0.00 H new ATOM 0 HA SER A 324 13.989 5.663 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 324 14.218 4.211 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 324 15.530 4.995 -1.813 1.00 0.00 H new ATOM 0 HG SER A 324 14.617 6.359 -0.169 1.00 0.00 H new ATOM 494 N PRO A 325 14.544 3.535 -4.846 1.00 0.00 N ATOM 495 CA PRO A 325 14.761 4.762 -5.622 1.00 0.00 C ATOM 496 C PRO A 325 13.451 5.440 -6.037 1.00 0.00 C ATOM 497 O PRO A 325 12.437 4.775 -6.256 1.00 0.00 O ATOM 498 CB PRO A 325 15.509 4.262 -6.861 1.00 0.00 C ATOM 499 CG PRO A 325 15.096 2.839 -7.004 1.00 0.00 C ATOM 500 CD PRO A 325 14.920 2.326 -5.601 1.00 0.00 C ATOM 0 HA PRO A 325 15.299 5.515 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.243 4.842 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.588 4.350 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.169 2.755 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.851 2.264 -7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.146 1.560 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.838 1.880 -5.217 1.00 0.00 H new ATOM 508 N PRO A 326 13.462 6.779 -6.127 1.00 0.00 N ATOM 509 CA PRO A 326 12.274 7.567 -6.478 1.00 0.00 C ATOM 510 C PRO A 326 11.833 7.344 -7.917 1.00 0.00 C ATOM 511 O PRO A 326 12.606 7.553 -8.860 1.00 0.00 O ATOM 512 CB PRO A 326 12.719 9.025 -6.271 1.00 0.00 C ATOM 513 CG PRO A 326 14.007 8.951 -5.526 1.00 0.00 C ATOM 514 CD PRO A 326 14.629 7.637 -5.901 1.00 0.00 C ATOM 0 HA PRO A 326 11.414 7.286 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.848 9.534 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.973 9.586 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.660 9.782 -5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 326 13.839 9.010 -4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.247 7.722 -6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 326 15.268 7.250 -5.107 1.00 0.00 H new ATOM 522 N LEU A 327 10.587 6.920 -8.087 1.00 0.00 N ATOM 523 CA LEU A 327 10.033 6.680 -9.412 1.00 0.00 C ATOM 524 C LEU A 327 9.755 7.998 -10.114 1.00 0.00 C ATOM 525 O LEU A 327 9.396 8.994 -9.482 1.00 0.00 O ATOM 526 CB LEU A 327 8.745 5.860 -9.313 1.00 0.00 C ATOM 527 CG LEU A 327 8.903 4.454 -8.742 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.566 3.731 -8.764 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.945 3.674 -9.528 1.00 0.00 C ATOM 0 H LEU A 327 9.940 6.735 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 327 10.763 6.117 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 327 8.034 6.407 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.307 5.782 -10.308 1.00 0.00 H new ATOM 0 HG LEU A 327 9.243 4.530 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.688 2.728 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.844 4.283 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.206 3.663 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 327 10.045 2.674 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.634 3.600 -10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.904 4.189 -9.471 1.00 0.00 H new ATOM 541 N ARG A 328 9.951 7.998 -11.421 1.00 0.00 N ATOM 542 CA ARG A 328 9.743 9.190 -12.229 1.00 0.00 C ATOM 543 C ARG A 328 8.284 9.317 -12.657 1.00 0.00 C ATOM 544 O ARG A 328 7.726 10.414 -12.674 1.00 0.00 O ATOM 545 CB ARG A 328 10.657 9.142 -13.447 1.00 0.00 C ATOM 546 CG ARG A 328 10.608 10.391 -14.311 1.00 0.00 C ATOM 547 CD ARG A 328 11.900 10.559 -15.088 1.00 0.00 C ATOM 548 NE ARG A 328 13.045 10.688 -14.180 1.00 0.00 N ATOM 549 CZ ARG A 328 14.244 11.127 -14.553 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.492 11.429 -15.818 1.00 0.00 N ATOM 551 NH2 ARG A 328 15.201 11.254 -13.640 1.00 0.00 N ATOM 0 H ARG A 328 10.256 7.181 -11.949 1.00 0.00 H new ATOM 0 HA ARG A 328 9.987 10.067 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.682 8.985 -13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.386 8.281 -14.057 1.00 0.00 H new ATOM 0 HG2 ARG A 328 9.768 10.328 -15.003 1.00 0.00 H new ATOM 0 HG3 ARG A 328 10.439 11.266 -13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.047 9.702 -15.746 1.00 0.00 H new ATOM 0 HD3 ARG A 328 11.834 11.442 -15.724 1.00 0.00 H new ATOM 0 HE ARG A 328 12.914 10.425 -13.203 1.00 0.00 H new ATOM 0 HH11 ARG A 328 13.759 11.326 -16.520 1.00 0.00 H new ATOM 0 HH12 ARG A 328 15.416 11.765 -16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 328 15.012 11.016 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 328 16.125 11.590 -13.913 1.00 0.00 H new ATOM 565 N GLU A 329 7.684 8.192 -13.012 1.00 0.00 N ATOM 566 CA GLU A 329 6.274 8.147 -13.378 1.00 0.00 C ATOM 567 C GLU A 329 5.641 6.894 -12.798 1.00 0.00 C ATOM 568 O GLU A 329 6.348 5.986 -12.364 1.00 0.00 O ATOM 569 CB GLU A 329 6.094 8.156 -14.899 1.00 0.00 C ATOM 570 CG GLU A 329 6.496 9.461 -15.568 1.00 0.00 C ATOM 571 CD GLU A 329 6.153 9.480 -17.034 1.00 0.00 C ATOM 572 OE1 GLU A 329 5.003 9.833 -17.378 1.00 0.00 O ATOM 573 OE2 GLU A 329 7.022 9.134 -17.861 1.00 0.00 O ATOM 0 H GLU A 329 8.156 7.289 -13.055 1.00 0.00 H new ATOM 0 HA GLU A 329 5.787 9.034 -12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.683 7.345 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.049 7.949 -15.131 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.996 10.292 -15.069 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.568 9.614 -15.446 1.00 0.00 H new ATOM 580 N ILE A 330 4.316 6.855 -12.779 1.00 0.00 N ATOM 581 CA ILE A 330 3.592 5.692 -12.276 1.00 0.00 C ATOM 582 C ILE A 330 3.563 4.587 -13.334 1.00 0.00 C ATOM 583 O ILE A 330 2.938 4.741 -14.383 1.00 0.00 O ATOM 584 CB ILE A 330 2.142 6.054 -11.883 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.136 7.185 -10.853 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.411 4.829 -11.347 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.751 7.646 -10.448 1.00 0.00 C ATOM 0 H ILE A 330 3.719 7.615 -13.106 1.00 0.00 H new ATOM 0 HA ILE A 330 4.116 5.341 -11.387 1.00 0.00 H new ATOM 0 HB ILE A 330 1.617 6.399 -12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.672 6.854 -9.963 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.686 8.034 -11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.392 5.103 -11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.386 4.055 -12.114 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.931 4.451 -10.467 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.834 8.449 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.217 8.010 -11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.203 6.811 -10.010 1.00 0.00 H new ATOM 599 N PRO A 331 4.255 3.469 -13.079 1.00 0.00 N ATOM 600 CA PRO A 331 4.298 2.335 -14.002 1.00 0.00 C ATOM 601 C PRO A 331 2.933 1.683 -14.187 1.00 0.00 C ATOM 602 O PRO A 331 2.233 1.371 -13.220 1.00 0.00 O ATOM 603 CB PRO A 331 5.271 1.352 -13.338 1.00 0.00 C ATOM 604 CG PRO A 331 6.015 2.158 -12.328 1.00 0.00 C ATOM 605 CD PRO A 331 5.062 3.220 -11.876 1.00 0.00 C ATOM 0 HA PRO A 331 4.606 2.646 -15.000 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.737 0.527 -12.867 1.00 0.00 H new ATOM 0 HB3 PRO A 331 5.950 0.915 -14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.336 1.538 -11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.913 2.597 -12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.449 2.883 -11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.584 4.118 -11.547 1.00 0.00 H new ATOM 613 N SER A 332 2.564 1.488 -15.446 1.00 0.00 N ATOM 614 CA SER A 332 1.306 0.851 -15.786 1.00 0.00 C ATOM 615 C SER A 332 1.441 -0.667 -15.687 1.00 0.00 C ATOM 616 O SER A 332 2.176 -1.289 -16.462 1.00 0.00 O ATOM 617 CB SER A 332 0.873 1.257 -17.200 1.00 0.00 C ATOM 618 OG SER A 332 0.770 2.669 -17.311 1.00 0.00 O ATOM 0 H SER A 332 3.125 1.765 -16.251 1.00 0.00 H new ATOM 0 HA SER A 332 0.543 1.180 -15.080 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.593 0.882 -17.927 1.00 0.00 H new ATOM 0 HB3 SER A 332 -0.087 0.798 -17.437 1.00 0.00 H new ATOM 0 HG SER A 332 0.494 2.906 -18.221 1.00 0.00 H new ATOM 624 N GLY A 333 0.749 -1.251 -14.722 1.00 0.00 N ATOM 625 CA GLY A 333 0.805 -2.683 -14.533 1.00 0.00 C ATOM 626 C GLY A 333 1.069 -3.058 -13.088 1.00 0.00 C ATOM 627 O GLY A 333 0.827 -2.261 -12.180 1.00 0.00 O ATOM 0 H GLY A 333 0.147 -0.756 -14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -0.136 -3.128 -14.856 1.00 0.00 H new ATOM 0 HA3 GLY A 333 1.589 -3.101 -15.165 1.00 0.00 H new ATOM 631 N THR A 334 1.552 -4.273 -12.882 1.00 0.00 N ATOM 632 CA THR A 334 1.853 -4.760 -11.544 1.00 0.00 C ATOM 633 C THR A 334 3.185 -4.216 -11.034 1.00 0.00 C ATOM 634 O THR A 334 4.241 -4.490 -11.611 1.00 0.00 O ATOM 635 CB THR A 334 1.882 -6.298 -11.521 1.00 0.00 C ATOM 636 OG1 THR A 334 2.703 -6.786 -12.588 1.00 0.00 O ATOM 637 CG2 THR A 334 0.476 -6.871 -11.645 1.00 0.00 C ATOM 0 H THR A 334 1.745 -4.943 -13.627 1.00 0.00 H new ATOM 0 HA THR A 334 1.062 -4.403 -10.885 1.00 0.00 H new ATOM 0 HB THR A 334 2.300 -6.619 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.502 -6.225 -12.669 1.00 0.00 H new ATOM 0 HG21 THR A 334 0.524 -7.960 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.135 -6.520 -10.813 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.031 -6.544 -12.585 1.00 0.00 H new ATOM 645 N TRP A 335 3.126 -3.447 -9.957 1.00 0.00 N ATOM 646 CA TRP A 335 4.318 -2.865 -9.364 1.00 0.00 C ATOM 647 C TRP A 335 4.616 -3.543 -8.032 1.00 0.00 C ATOM 648 O TRP A 335 3.699 -3.938 -7.312 1.00 0.00 O ATOM 649 CB TRP A 335 4.139 -1.354 -9.169 1.00 0.00 C ATOM 650 CG TRP A 335 5.363 -0.680 -8.630 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.494 -0.359 -9.321 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.577 -0.245 -7.288 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.404 0.241 -8.493 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.862 0.327 -7.236 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.809 -0.283 -6.117 1.00 0.00 C ATOM 656 CZ2 TRP A 335 7.396 0.852 -6.062 1.00 0.00 C ATOM 657 CZ3 TRP A 335 5.337 0.241 -4.956 1.00 0.00 C ATOM 658 CH2 TRP A 335 6.619 0.803 -4.935 1.00 0.00 C ATOM 0 H TRP A 335 2.259 -3.211 -9.474 1.00 0.00 H new ATOM 0 HA TRP A 335 5.160 -3.024 -10.038 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.873 -0.900 -10.123 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.306 -1.178 -8.489 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.650 -0.551 -10.372 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.331 0.569 -8.765 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.819 -0.716 -6.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 8.386 1.282 -6.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 4.752 0.217 -4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 335 7.004 1.207 -4.010 1.00 0.00 H new ATOM 669 N ARG A 336 5.896 -3.680 -7.694 1.00 0.00 N ATOM 670 CA ARG A 336 6.300 -4.378 -6.479 1.00 0.00 C ATOM 671 C ARG A 336 7.169 -3.464 -5.620 1.00 0.00 C ATOM 672 O ARG A 336 8.154 -2.906 -6.103 1.00 0.00 O ATOM 673 CB ARG A 336 7.090 -5.633 -6.834 1.00 0.00 C ATOM 674 CG ARG A 336 6.381 -6.545 -7.820 1.00 0.00 C ATOM 675 CD ARG A 336 7.368 -7.463 -8.517 1.00 0.00 C ATOM 676 NE ARG A 336 8.416 -6.706 -9.199 1.00 0.00 N ATOM 677 CZ ARG A 336 9.003 -7.094 -10.329 1.00 0.00 C ATOM 678 NH1 ARG A 336 8.578 -8.175 -10.976 1.00 0.00 N ATOM 679 NH2 ARG A 336 9.991 -6.369 -10.838 1.00 0.00 N ATOM 0 H ARG A 336 6.672 -3.315 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 336 5.405 -4.659 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 336 8.052 -5.339 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.297 -6.191 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.632 -7.140 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.852 -5.945 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.820 -8.134 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.840 -8.086 -9.239 1.00 0.00 H new ATOM 0 HE ARG A 336 8.717 -5.825 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 336 7.795 -8.715 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 336 9.035 -8.464 -11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 336 10.297 -5.519 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 336 10.445 -6.661 -11.704 1.00 0.00 H new ATOM 693 N CYS A 337 6.799 -3.305 -4.366 1.00 0.00 N ATOM 694 CA CYS A 337 7.554 -2.452 -3.456 1.00 0.00 C ATOM 695 C CYS A 337 8.788 -3.174 -2.915 1.00 0.00 C ATOM 696 O CYS A 337 8.992 -4.357 -3.201 1.00 0.00 O ATOM 697 CB CYS A 337 6.668 -1.977 -2.302 1.00 0.00 C ATOM 698 SG CYS A 337 5.989 -3.325 -1.278 1.00 0.00 S ATOM 0 H CYS A 337 5.982 -3.752 -3.949 1.00 0.00 H new ATOM 0 HA CYS A 337 7.891 -1.582 -4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.247 -1.308 -1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.842 -1.393 -2.709 1.00 0.00 H new ATOM 0 HG CYS A 337 5.067 -3.954 -1.944 1.00 0.00 H new ATOM 703 N SER A 338 9.581 -2.473 -2.117 1.00 0.00 N ATOM 704 CA SER A 338 10.829 -3.017 -1.597 1.00 0.00 C ATOM 705 C SER A 338 10.571 -4.267 -0.761 1.00 0.00 C ATOM 706 O SER A 338 11.294 -5.261 -0.873 1.00 0.00 O ATOM 707 CB SER A 338 11.524 -1.950 -0.755 1.00 0.00 C ATOM 708 OG SER A 338 11.481 -0.694 -1.416 1.00 0.00 O ATOM 0 H SER A 338 9.381 -1.520 -1.814 1.00 0.00 H new ATOM 0 HA SER A 338 11.470 -3.301 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.040 -1.873 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.560 -2.238 -0.574 1.00 0.00 H new ATOM 0 HG SER A 338 11.929 -0.019 -0.865 1.00 0.00 H new ATOM 714 N SER A 339 9.518 -4.216 0.051 1.00 0.00 N ATOM 715 CA SER A 339 9.121 -5.347 0.887 1.00 0.00 C ATOM 716 C SER A 339 8.948 -6.615 0.042 1.00 0.00 C ATOM 717 O SER A 339 9.471 -7.670 0.385 1.00 0.00 O ATOM 718 CB SER A 339 7.819 -5.009 1.612 1.00 0.00 C ATOM 719 OG SER A 339 7.906 -3.737 2.232 1.00 0.00 O ATOM 0 H SER A 339 8.919 -3.396 0.148 1.00 0.00 H new ATOM 0 HA SER A 339 9.905 -5.537 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.990 -5.018 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.606 -5.771 2.362 1.00 0.00 H new ATOM 0 HG SER A 339 7.063 -3.538 2.689 1.00 0.00 H new ATOM 725 N CYS A 340 8.237 -6.490 -1.077 1.00 0.00 N ATOM 726 CA CYS A 340 8.013 -7.622 -1.971 1.00 0.00 C ATOM 727 C CYS A 340 9.318 -8.080 -2.613 1.00 0.00 C ATOM 728 O CYS A 340 9.592 -9.277 -2.692 1.00 0.00 O ATOM 729 CB CYS A 340 7.000 -7.259 -3.063 1.00 0.00 C ATOM 730 SG CYS A 340 5.374 -6.742 -2.426 1.00 0.00 S ATOM 0 H CYS A 340 7.807 -5.618 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 340 7.612 -8.440 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.412 -6.455 -3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.865 -8.119 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 340 4.887 -5.807 -3.187 1.00 0.00 H new ATOM 735 N LEU A 341 10.126 -7.120 -3.050 1.00 0.00 N ATOM 736 CA LEU A 341 11.372 -7.422 -3.746 1.00 0.00 C ATOM 737 C LEU A 341 12.327 -8.221 -2.872 1.00 0.00 C ATOM 738 O LEU A 341 12.980 -9.153 -3.340 1.00 0.00 O ATOM 739 CB LEU A 341 12.048 -6.130 -4.222 1.00 0.00 C ATOM 740 CG LEU A 341 11.260 -5.319 -5.247 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.001 -4.039 -5.590 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.009 -6.146 -6.497 1.00 0.00 C ATOM 0 H LEU A 341 9.940 -6.124 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 341 11.122 -8.034 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.240 -5.499 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.017 -6.384 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 341 10.296 -5.052 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.427 -3.471 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.131 -3.441 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.978 -4.285 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.446 -5.554 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.962 -6.441 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.438 -7.037 -6.235 1.00 0.00 H new