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 311 CYS SG : rot -167:sc= 2.14 USER MOD Set 1.2: A 314 CYS SG : rot 87:sc= 0.224 USER MOD Set 1.3: A 337 CYS SG : rot -20:sc= 0.806 USER MOD Set 1.4: A 339 SER OG : rot 180:sc= 0.0118 USER MOD Set 1.5: A 340 CYS SG : rot 154:sc= 2.3 USER MOD Set 2.1: A 299 CYS SG : rot -150:sc= -1.61 USER MOD Set 2.2: A 302 CYS SG : rot 180:sc= 0.401 USER MOD Set 2.3: A 319 HIS : no HD1:sc= 0.793 K(o=-3,f=-8.2!) USER MOD Set 2.4: A 322 CYS SG : rot -152:sc= -2.57! USER MOD Single : A 295 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 310 CYS SG : rot 31:sc= 0.0741 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 180:sc= 0.0622 USER MOD Single : A 338 SER OG : rot 180:sc=0.000742 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.405 -1.836 0.064 1.00 0.00 N ATOM 86 CA ASN A 295 -5.170 -1.074 -0.046 1.00 0.00 C ATOM 87 C ASN A 295 -5.313 0.227 0.729 1.00 0.00 C ATOM 88 O ASN A 295 -6.402 0.803 0.793 1.00 0.00 O ATOM 89 CB ASN A 295 -4.824 -0.783 -1.516 1.00 0.00 C ATOM 90 CG ASN A 295 -5.907 -0.018 -2.253 1.00 0.00 C ATOM 91 OD1 ASN A 295 -5.965 1.211 -2.202 1.00 0.00 O ATOM 92 ND2 ASN A 295 -6.755 -0.735 -2.972 1.00 0.00 N ATOM 0 HA ASN A 295 -4.356 -1.665 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.896 -0.213 -1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.641 -1.726 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -7.488 -0.271 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -6.676 -1.752 -2.990 1.00 0.00 H new ATOM 99 N GLU A 296 -4.234 0.660 1.372 1.00 0.00 N ATOM 100 CA GLU A 296 -4.256 1.909 2.120 1.00 0.00 C ATOM 101 C GLU A 296 -4.281 3.098 1.163 1.00 0.00 C ATOM 102 O GLU A 296 -3.487 3.170 0.234 1.00 0.00 O ATOM 103 CB GLU A 296 -3.039 2.037 3.044 1.00 0.00 C ATOM 104 CG GLU A 296 -2.947 0.973 4.130 1.00 0.00 C ATOM 105 CD GLU A 296 -2.079 -0.201 3.725 1.00 0.00 C ATOM 106 OE1 GLU A 296 -0.850 -0.149 3.971 1.00 0.00 O ATOM 107 OE2 GLU A 296 -2.617 -1.184 3.185 1.00 0.00 O ATOM 0 H GLU A 296 -3.341 0.168 1.390 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.158 1.904 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.134 1.996 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -3.062 3.019 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -2.545 1.421 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.949 0.614 4.368 1.00 0.00 H new ATOM 114 N ASP A 297 -5.190 4.033 1.402 1.00 0.00 N ATOM 115 CA ASP A 297 -5.229 5.270 0.620 1.00 0.00 C ATOM 116 C ASP A 297 -4.302 6.302 1.245 1.00 0.00 C ATOM 117 O ASP A 297 -4.544 7.509 1.156 1.00 0.00 O ATOM 118 CB ASP A 297 -6.649 5.837 0.540 1.00 0.00 C ATOM 119 CG ASP A 297 -7.537 5.075 -0.410 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.508 5.373 -1.614 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.287 4.186 0.045 1.00 0.00 O ATOM 0 H ASP A 297 -5.907 3.964 2.124 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.898 5.039 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.095 5.825 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.600 6.880 0.225 1.00 0.00 H new ATOM 126 N GLU A 298 -3.228 5.823 1.851 1.00 0.00 N ATOM 127 CA GLU A 298 -2.286 6.677 2.544 1.00 0.00 C ATOM 128 C GLU A 298 -0.872 6.237 2.212 1.00 0.00 C ATOM 129 O GLU A 298 -0.554 5.052 2.290 1.00 0.00 O ATOM 130 CB GLU A 298 -2.503 6.592 4.057 1.00 0.00 C ATOM 131 CG GLU A 298 -3.860 7.095 4.514 1.00 0.00 C ATOM 132 CD GLU A 298 -4.185 6.670 5.930 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.610 7.242 6.876 1.00 0.00 O ATOM 134 OE2 GLU A 298 -5.022 5.758 6.097 1.00 0.00 O ATOM 0 H GLU A 298 -2.988 4.832 1.875 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.440 7.707 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.386 5.555 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.725 7.168 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -3.882 8.183 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.630 6.720 3.839 1.00 0.00 H new ATOM 141 N CYS A 299 -0.033 7.184 1.839 1.00 0.00 N ATOM 142 CA CYS A 299 1.368 6.898 1.603 1.00 0.00 C ATOM 143 C CYS A 299 2.050 6.614 2.920 1.00 0.00 C ATOM 144 O CYS A 299 2.246 7.518 3.735 1.00 0.00 O ATOM 145 CB CYS A 299 2.066 8.061 0.890 1.00 0.00 C ATOM 146 SG CYS A 299 3.847 7.789 0.610 1.00 0.00 S ATOM 0 H CYS A 299 -0.298 8.158 1.693 1.00 0.00 H new ATOM 0 HA CYS A 299 1.436 6.024 0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.579 8.232 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.935 8.968 1.480 1.00 0.00 H new ATOM 0 HG CYS A 299 4.467 8.932 0.615 1.00 0.00 H new ATOM 151 N ALA A 300 2.381 5.348 3.137 1.00 0.00 N ATOM 152 CA ALA A 300 3.022 4.897 4.373 1.00 0.00 C ATOM 153 C ALA A 300 4.397 5.539 4.616 1.00 0.00 C ATOM 154 O ALA A 300 5.115 5.155 5.541 1.00 0.00 O ATOM 155 CB ALA A 300 3.141 3.386 4.355 1.00 0.00 C ATOM 0 H ALA A 300 2.214 4.601 2.463 1.00 0.00 H new ATOM 0 HA ALA A 300 2.388 5.218 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.618 3.048 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.148 2.944 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.743 3.079 3.500 1.00 0.00 H new ATOM 161 N VAL A 301 4.763 6.502 3.784 1.00 0.00 N ATOM 162 CA VAL A 301 5.988 7.261 3.978 1.00 0.00 C ATOM 163 C VAL A 301 5.701 8.585 4.696 1.00 0.00 C ATOM 164 O VAL A 301 6.196 8.826 5.795 1.00 0.00 O ATOM 165 CB VAL A 301 6.709 7.539 2.644 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.013 8.286 2.870 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.967 6.243 1.887 1.00 0.00 C ATOM 0 H VAL A 301 4.225 6.777 2.963 1.00 0.00 H new ATOM 0 HA VAL A 301 6.645 6.651 4.598 1.00 0.00 H new ATOM 0 HB VAL A 301 6.056 8.169 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.499 8.468 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.807 9.238 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.670 7.688 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.477 6.465 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.591 5.586 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.018 5.750 1.677 1.00 0.00 H new ATOM 177 N CYS A 302 4.873 9.429 4.086 1.00 0.00 N ATOM 178 CA CYS A 302 4.637 10.776 4.608 1.00 0.00 C ATOM 179 C CYS A 302 3.200 10.976 5.099 1.00 0.00 C ATOM 180 O CYS A 302 2.802 12.093 5.427 1.00 0.00 O ATOM 181 CB CYS A 302 4.963 11.810 3.538 1.00 0.00 C ATOM 182 SG CYS A 302 4.014 11.591 1.996 1.00 0.00 S ATOM 0 H CYS A 302 4.356 9.208 3.235 1.00 0.00 H new ATOM 0 HA CYS A 302 5.293 10.905 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.768 12.806 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.028 11.761 3.309 1.00 0.00 H new ATOM 0 HG CYS A 302 4.352 12.512 1.144 1.00 0.00 H new ATOM 187 N ARG A 303 2.433 9.886 5.161 1.00 0.00 N ATOM 188 CA ARG A 303 1.047 9.914 5.648 1.00 0.00 C ATOM 189 C ARG A 303 0.159 10.863 4.835 1.00 0.00 C ATOM 190 O ARG A 303 -0.676 11.576 5.390 1.00 0.00 O ATOM 191 CB ARG A 303 0.984 10.300 7.141 1.00 0.00 C ATOM 192 CG ARG A 303 1.505 9.226 8.090 1.00 0.00 C ATOM 193 CD ARG A 303 3.025 9.195 8.147 1.00 0.00 C ATOM 194 NE ARG A 303 3.579 10.372 8.817 1.00 0.00 N ATOM 195 CZ ARG A 303 4.882 10.584 8.997 1.00 0.00 C ATOM 196 NH1 ARG A 303 5.778 9.716 8.553 1.00 0.00 N ATOM 197 NH2 ARG A 303 5.286 11.669 9.639 1.00 0.00 N ATOM 0 H ARG A 303 2.751 8.960 4.876 1.00 0.00 H new ATOM 0 HA ARG A 303 0.662 8.902 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.560 11.213 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.049 10.528 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.110 9.405 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 303 1.136 8.252 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 303 3.349 8.295 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 303 3.423 9.135 7.134 1.00 0.00 H new ATOM 0 HE ARG A 303 2.927 11.074 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 303 5.474 8.873 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 303 6.772 9.891 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 303 4.601 12.337 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 303 6.282 11.837 9.780 1.00 0.00 H new ATOM 211 N ASP A 304 0.330 10.865 3.518 1.00 0.00 N ATOM 212 CA ASP A 304 -0.517 11.672 2.635 1.00 0.00 C ATOM 213 C ASP A 304 -1.045 10.831 1.483 1.00 0.00 C ATOM 214 O ASP A 304 -0.630 9.691 1.309 1.00 0.00 O ATOM 215 CB ASP A 304 0.246 12.877 2.088 1.00 0.00 C ATOM 216 CG ASP A 304 -0.090 14.150 2.832 1.00 0.00 C ATOM 217 OD1 ASP A 304 -1.280 14.529 2.863 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.827 14.769 3.406 1.00 0.00 O ATOM 0 H ASP A 304 1.044 10.320 3.035 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.358 12.034 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.317 12.689 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.013 13.003 1.031 1.00 0.00 H new ATOM 223 N GLY A 305 -1.957 11.393 0.709 1.00 0.00 N ATOM 224 CA GLY A 305 -2.538 10.667 -0.404 1.00 0.00 C ATOM 225 C GLY A 305 -2.451 11.449 -1.696 1.00 0.00 C ATOM 226 O GLY A 305 -1.592 12.320 -1.842 1.00 0.00 O ATOM 0 H GLY A 305 -2.308 12.343 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.025 9.713 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.582 10.442 -0.185 1.00 0.00 H new ATOM 230 N GLY A 306 -3.343 11.156 -2.623 1.00 0.00 N ATOM 231 CA GLY A 306 -3.302 11.811 -3.913 1.00 0.00 C ATOM 232 C GLY A 306 -2.792 10.893 -5.001 1.00 0.00 C ATOM 233 O GLY A 306 -3.446 9.905 -5.345 1.00 0.00 O ATOM 0 H GLY A 306 -4.096 10.477 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.301 12.161 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.662 12.691 -3.852 1.00 0.00 H new ATOM 237 N GLU A 307 -1.624 11.210 -5.546 1.00 0.00 N ATOM 238 CA GLU A 307 -1.023 10.410 -6.602 1.00 0.00 C ATOM 239 C GLU A 307 -0.302 9.208 -6.013 1.00 0.00 C ATOM 240 O GLU A 307 0.927 9.157 -5.971 1.00 0.00 O ATOM 241 CB GLU A 307 -0.048 11.267 -7.412 1.00 0.00 C ATOM 242 CG GLU A 307 -0.697 12.497 -8.026 1.00 0.00 C ATOM 243 CD GLU A 307 0.318 13.505 -8.510 1.00 0.00 C ATOM 244 OE1 GLU A 307 0.831 14.282 -7.675 1.00 0.00 O ATOM 245 OE2 GLU A 307 0.599 13.534 -9.726 1.00 0.00 O ATOM 0 H GLU A 307 -1.072 12.022 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.812 10.049 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.772 11.581 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.386 10.659 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -1.328 12.192 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.348 12.967 -7.289 1.00 0.00 H new ATOM 252 N LEU A 308 -1.080 8.243 -5.550 1.00 0.00 N ATOM 253 CA LEU A 308 -0.532 7.071 -4.899 1.00 0.00 C ATOM 254 C LEU A 308 -0.404 5.910 -5.867 1.00 0.00 C ATOM 255 O LEU A 308 -1.155 5.806 -6.837 1.00 0.00 O ATOM 256 CB LEU A 308 -1.423 6.656 -3.730 1.00 0.00 C ATOM 257 CG LEU A 308 -1.477 7.641 -2.565 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.520 7.203 -1.556 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.113 7.751 -1.909 1.00 0.00 C ATOM 0 H LEU A 308 -2.098 8.252 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 308 0.462 7.329 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.436 6.505 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.075 5.694 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.757 8.623 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.548 7.914 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.498 7.165 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.265 6.214 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.164 8.456 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.191 6.773 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.615 8.103 -2.640 1.00 0.00 H new ATOM 271 N ILE A 309 0.554 5.047 -5.603 1.00 0.00 N ATOM 272 CA ILE A 309 0.693 3.808 -6.335 1.00 0.00 C ATOM 273 C ILE A 309 0.760 2.650 -5.347 1.00 0.00 C ATOM 274 O ILE A 309 1.676 2.565 -4.531 1.00 0.00 O ATOM 275 CB ILE A 309 1.934 3.818 -7.273 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.088 2.463 -7.971 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.204 4.181 -6.506 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.215 2.425 -8.984 1.00 0.00 C ATOM 0 H ILE A 309 1.256 5.185 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.178 3.687 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 309 1.777 4.583 -8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.262 1.694 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.152 2.214 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 309 4.054 4.180 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 309 3.093 5.172 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.373 3.450 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.264 1.435 -9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.033 3.170 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.160 2.643 -8.486 1.00 0.00 H new ATOM 290 N CYS A 310 -0.247 1.793 -5.383 1.00 0.00 N ATOM 291 CA CYS A 310 -0.317 0.667 -4.464 1.00 0.00 C ATOM 292 C CYS A 310 0.258 -0.571 -5.124 1.00 0.00 C ATOM 293 O CYS A 310 0.016 -0.831 -6.309 1.00 0.00 O ATOM 294 CB CYS A 310 -1.772 0.430 -4.056 1.00 0.00 C ATOM 295 SG CYS A 310 -2.906 0.220 -5.446 1.00 0.00 S ATOM 0 H CYS A 310 -1.027 1.855 -6.038 1.00 0.00 H new ATOM 0 HA CYS A 310 0.268 0.888 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -1.821 -0.457 -3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.109 1.271 -3.450 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.273 -0.319 -6.445 1.00 0.00 H new ATOM 301 N CYS A 311 1.050 -1.311 -4.368 1.00 0.00 N ATOM 302 CA CYS A 311 1.675 -2.521 -4.873 1.00 0.00 C ATOM 303 C CYS A 311 0.633 -3.601 -5.173 1.00 0.00 C ATOM 304 O CYS A 311 -0.391 -3.700 -4.500 1.00 0.00 O ATOM 305 CB CYS A 311 2.700 -3.029 -3.873 1.00 0.00 C ATOM 306 SG CYS A 311 3.564 -4.549 -4.389 1.00 0.00 S ATOM 0 H CYS A 311 1.276 -1.094 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 311 2.180 -2.282 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.439 -2.247 -3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.201 -3.214 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 311 4.199 -5.053 -3.373 1.00 0.00 H new ATOM 311 N ASP A 312 0.922 -4.413 -6.176 1.00 0.00 N ATOM 312 CA ASP A 312 0.017 -5.482 -6.586 1.00 0.00 C ATOM 313 C ASP A 312 0.252 -6.736 -5.754 1.00 0.00 C ATOM 314 O ASP A 312 -0.432 -7.746 -5.920 1.00 0.00 O ATOM 315 CB ASP A 312 0.187 -5.793 -8.073 1.00 0.00 C ATOM 316 CG ASP A 312 -0.319 -4.677 -8.955 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.463 -3.751 -9.257 1.00 0.00 O ATOM 318 OD2 ASP A 312 -1.503 -4.717 -9.356 1.00 0.00 O ATOM 0 H ASP A 312 1.779 -4.354 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 312 -1.005 -5.142 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 312 1.241 -5.972 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -0.347 -6.713 -8.313 1.00 0.00 H new ATOM 323 N GLY A 313 1.239 -6.663 -4.884 1.00 0.00 N ATOM 324 CA GLY A 313 1.494 -7.745 -3.949 1.00 0.00 C ATOM 325 C GLY A 313 1.169 -7.333 -2.528 1.00 0.00 C ATOM 326 O GLY A 313 0.590 -8.100 -1.761 1.00 0.00 O ATOM 0 H GLY A 313 1.876 -5.871 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 313 0.896 -8.614 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.540 -8.045 -4.013 1.00 0.00 H new ATOM 330 N CYS A 314 1.519 -6.098 -2.200 1.00 0.00 N ATOM 331 CA CYS A 314 1.288 -5.553 -0.868 1.00 0.00 C ATOM 332 C CYS A 314 0.342 -4.362 -0.958 1.00 0.00 C ATOM 333 O CYS A 314 0.535 -3.490 -1.798 1.00 0.00 O ATOM 334 CB CYS A 314 2.610 -5.134 -0.221 1.00 0.00 C ATOM 335 SG CYS A 314 3.794 -6.504 0.009 1.00 0.00 S ATOM 0 H CYS A 314 1.969 -5.448 -2.845 1.00 0.00 H new ATOM 0 HA CYS A 314 0.834 -6.324 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.076 -4.365 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.401 -4.682 0.749 1.00 0.00 H new ATOM 0 HG CYS A 314 4.504 -6.649 -1.070 1.00 0.00 H new ATOM 340 N PRO A 315 -0.688 -4.311 -0.093 1.00 0.00 N ATOM 341 CA PRO A 315 -1.669 -3.206 -0.076 1.00 0.00 C ATOM 342 C PRO A 315 -1.039 -1.843 0.237 1.00 0.00 C ATOM 343 O PRO A 315 -1.709 -0.811 0.185 1.00 0.00 O ATOM 344 CB PRO A 315 -2.643 -3.609 1.038 1.00 0.00 C ATOM 345 CG PRO A 315 -1.914 -4.617 1.863 1.00 0.00 C ATOM 346 CD PRO A 315 -1.002 -5.336 0.912 1.00 0.00 C ATOM 0 HA PRO A 315 -2.136 -3.076 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.931 -2.746 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.559 -4.030 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.348 -4.135 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.608 -5.309 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.104 -5.698 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.489 -6.202 0.465 1.00 0.00 H new ATOM 354 N ARG A 316 0.250 -1.864 0.571 1.00 0.00 N ATOM 355 CA ARG A 316 1.015 -0.652 0.851 1.00 0.00 C ATOM 356 C ARG A 316 0.990 0.320 -0.328 1.00 0.00 C ATOM 357 O ARG A 316 1.321 -0.050 -1.464 1.00 0.00 O ATOM 358 CB ARG A 316 2.464 -1.034 1.176 1.00 0.00 C ATOM 359 CG ARG A 316 2.615 -1.853 2.438 1.00 0.00 C ATOM 360 CD ARG A 316 2.875 -0.974 3.651 1.00 0.00 C ATOM 361 NE ARG A 316 4.239 -0.455 3.661 1.00 0.00 N ATOM 362 CZ ARG A 316 4.747 0.301 4.629 1.00 0.00 C ATOM 363 NH1 ARG A 316 3.993 0.668 5.656 1.00 0.00 N ATOM 364 NH2 ARG A 316 6.011 0.698 4.553 1.00 0.00 N ATOM 0 H ARG A 316 0.793 -2.723 0.655 1.00 0.00 H new ATOM 0 HA ARG A 316 0.556 -0.150 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.877 -1.596 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 316 3.056 -0.124 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.711 -2.440 2.601 1.00 0.00 H new ATOM 0 HG3 ARG A 316 3.437 -2.559 2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 316 2.170 -0.143 3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 316 2.698 -1.548 4.561 1.00 0.00 H new ATOM 0 HE ARG A 316 4.843 -0.688 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 316 3.019 0.370 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 316 4.387 1.248 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 316 6.585 0.423 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 316 6.409 1.278 5.292 1.00 0.00 H new ATOM 378 N ALA A 317 0.597 1.562 -0.060 1.00 0.00 N ATOM 379 CA ALA A 317 0.578 2.603 -1.079 1.00 0.00 C ATOM 380 C ALA A 317 1.641 3.655 -0.790 1.00 0.00 C ATOM 381 O ALA A 317 1.942 3.953 0.370 1.00 0.00 O ATOM 382 CB ALA A 317 -0.794 3.249 -1.162 1.00 0.00 C ATOM 0 H ALA A 317 0.286 1.872 0.861 1.00 0.00 H new ATOM 0 HA ALA A 317 0.800 2.140 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.786 4.023 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.537 2.493 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.045 3.694 -0.199 1.00 0.00 H new ATOM 388 N PHE A 318 2.200 4.216 -1.856 1.00 0.00 N ATOM 389 CA PHE A 318 3.296 5.170 -1.738 1.00 0.00 C ATOM 390 C PHE A 318 3.204 6.215 -2.840 1.00 0.00 C ATOM 391 O PHE A 318 2.509 6.016 -3.832 1.00 0.00 O ATOM 392 CB PHE A 318 4.644 4.450 -1.848 1.00 0.00 C ATOM 393 CG PHE A 318 4.824 3.328 -0.866 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.150 3.589 0.456 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.663 2.011 -1.264 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.315 2.558 1.360 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.827 0.976 -0.367 1.00 0.00 C ATOM 398 CZ PHE A 318 5.153 1.249 0.952 1.00 0.00 C ATOM 0 H PHE A 318 1.911 4.026 -2.815 1.00 0.00 H new ATOM 0 HA PHE A 318 3.221 5.655 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.751 4.055 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.444 5.176 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.276 4.611 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.406 1.792 -2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.571 2.776 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.701 -0.046 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.280 0.441 1.658 1.00 0.00 H new ATOM 408 N HIS A 319 3.898 7.332 -2.648 1.00 0.00 N ATOM 409 CA HIS A 319 4.035 8.337 -3.687 1.00 0.00 C ATOM 410 C HIS A 319 5.299 8.078 -4.487 1.00 0.00 C ATOM 411 O HIS A 319 6.242 7.473 -3.971 1.00 0.00 O ATOM 412 CB HIS A 319 4.101 9.750 -3.108 1.00 0.00 C ATOM 413 CG HIS A 319 2.814 10.260 -2.545 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.644 10.456 -1.206 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.693 10.650 -3.192 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.434 10.961 -1.069 1.00 0.00 C ATOM 417 NE2 HIS A 319 0.818 11.095 -2.238 1.00 0.00 N ATOM 0 H HIS A 319 4.375 7.561 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 319 3.155 8.267 -4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.857 9.770 -2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.434 10.432 -3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.521 10.617 -4.258 1.00 0.00 H new ATOM 0 HE1 HIS A 319 0.996 11.233 -0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 319 -0.122 11.458 -2.394 1.00 0.00 H new ATOM 425 N LEU A 320 5.333 8.550 -5.721 1.00 0.00 N ATOM 426 CA LEU A 320 6.455 8.275 -6.609 1.00 0.00 C ATOM 427 C LEU A 320 7.782 8.738 -6.010 1.00 0.00 C ATOM 428 O LEU A 320 8.699 7.932 -5.827 1.00 0.00 O ATOM 429 CB LEU A 320 6.233 8.948 -7.962 1.00 0.00 C ATOM 430 CG LEU A 320 5.026 8.444 -8.756 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.923 9.182 -10.072 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.132 6.945 -8.991 1.00 0.00 C ATOM 0 H LEU A 320 4.598 9.125 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 320 6.509 7.195 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.119 10.020 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.128 8.811 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 320 4.122 8.636 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.061 8.815 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.805 10.249 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.829 9.015 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.265 6.603 -9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.041 6.728 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.166 6.428 -8.032 1.00 0.00 H new ATOM 444 N ALA A 321 7.877 10.022 -5.669 1.00 0.00 N ATOM 445 CA ALA A 321 9.122 10.587 -5.156 1.00 0.00 C ATOM 446 C ALA A 321 9.386 10.167 -3.714 1.00 0.00 C ATOM 447 O ALA A 321 10.519 10.234 -3.240 1.00 0.00 O ATOM 448 CB ALA A 321 9.091 12.103 -5.267 1.00 0.00 C ATOM 0 H ALA A 321 7.108 10.689 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 321 9.938 10.197 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.024 12.515 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 321 8.972 12.389 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.255 12.493 -4.687 1.00 0.00 H new ATOM 454 N CYS A 322 8.341 9.744 -3.013 1.00 0.00 N ATOM 455 CA CYS A 322 8.479 9.322 -1.621 1.00 0.00 C ATOM 456 C CYS A 322 9.125 7.943 -1.534 1.00 0.00 C ATOM 457 O CYS A 322 9.680 7.571 -0.495 1.00 0.00 O ATOM 458 CB CYS A 322 7.118 9.326 -0.925 1.00 0.00 C ATOM 459 SG CYS A 322 6.326 10.966 -0.878 1.00 0.00 S ATOM 0 H CYS A 322 7.392 9.683 -3.382 1.00 0.00 H new ATOM 0 HA CYS A 322 9.130 10.032 -1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.456 8.627 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.240 8.962 0.095 1.00 0.00 H new ATOM 0 HG CYS A 322 5.553 11.045 0.164 1.00 0.00 H new ATOM 464 N LEU A 323 9.046 7.188 -2.626 1.00 0.00 N ATOM 465 CA LEU A 323 9.715 5.896 -2.721 1.00 0.00 C ATOM 466 C LEU A 323 11.229 6.069 -2.695 1.00 0.00 C ATOM 467 O LEU A 323 11.745 7.130 -3.040 1.00 0.00 O ATOM 468 CB LEU A 323 9.299 5.182 -3.999 1.00 0.00 C ATOM 469 CG LEU A 323 7.865 4.658 -4.014 1.00 0.00 C ATOM 470 CD1 LEU A 323 7.464 4.236 -5.420 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.728 3.493 -3.057 1.00 0.00 C ATOM 0 H LEU A 323 8.522 7.451 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 323 9.419 5.294 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.427 5.867 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.977 4.345 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 323 7.199 5.459 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 323 6.439 3.865 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 323 7.534 5.092 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 323 8.132 3.447 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.702 3.126 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.404 2.693 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.979 3.820 -2.048 1.00 0.00 H new ATOM 483 N SER A 324 11.935 5.043 -2.256 1.00 0.00 N ATOM 484 CA SER A 324 13.387 5.043 -2.290 1.00 0.00 C ATOM 485 C SER A 324 13.897 3.702 -2.820 1.00 0.00 C ATOM 486 O SER A 324 13.775 2.685 -2.139 1.00 0.00 O ATOM 487 CB SER A 324 13.945 5.320 -0.895 1.00 0.00 C ATOM 488 OG SER A 324 13.463 6.554 -0.387 1.00 0.00 O ATOM 0 H SER A 324 11.524 4.194 -1.869 1.00 0.00 H new ATOM 0 HA SER A 324 13.729 5.832 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.664 4.511 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 324 15.034 5.340 -0.933 1.00 0.00 H new ATOM 0 HG SER A 324 13.834 6.707 0.507 1.00 0.00 H new ATOM 494 N PRO A 325 14.466 3.666 -4.038 1.00 0.00 N ATOM 495 CA PRO A 325 14.635 4.844 -4.905 1.00 0.00 C ATOM 496 C PRO A 325 13.306 5.357 -5.454 1.00 0.00 C ATOM 497 O PRO A 325 12.389 4.574 -5.708 1.00 0.00 O ATOM 498 CB PRO A 325 15.520 4.332 -6.051 1.00 0.00 C ATOM 499 CG PRO A 325 16.040 3.009 -5.596 1.00 0.00 C ATOM 500 CD PRO A 325 15.001 2.455 -4.673 1.00 0.00 C ATOM 0 HA PRO A 325 15.066 5.684 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 325 14.948 4.232 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.336 5.025 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 325 16.206 2.343 -6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.997 3.120 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.230 1.905 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.430 1.769 -3.943 1.00 0.00 H new ATOM 508 N PRO A 326 13.193 6.682 -5.630 1.00 0.00 N ATOM 509 CA PRO A 326 11.956 7.323 -6.084 1.00 0.00 C ATOM 510 C PRO A 326 11.673 7.072 -7.562 1.00 0.00 C ATOM 511 O PRO A 326 12.590 6.983 -8.378 1.00 0.00 O ATOM 512 CB PRO A 326 12.219 8.811 -5.845 1.00 0.00 C ATOM 513 CG PRO A 326 13.696 8.950 -5.926 1.00 0.00 C ATOM 514 CD PRO A 326 14.268 7.666 -5.389 1.00 0.00 C ATOM 0 HA PRO A 326 11.085 6.934 -5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 326 11.722 9.427 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 326 11.844 9.128 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.015 9.118 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.039 9.804 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.188 7.390 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.508 7.746 -4.329 1.00 0.00 H new ATOM 522 N LEU A 327 10.401 6.954 -7.889 1.00 0.00 N ATOM 523 CA LEU A 327 9.988 6.779 -9.273 1.00 0.00 C ATOM 524 C LEU A 327 9.642 8.125 -9.883 1.00 0.00 C ATOM 525 O LEU A 327 9.100 9.002 -9.210 1.00 0.00 O ATOM 526 CB LEU A 327 8.775 5.850 -9.361 1.00 0.00 C ATOM 527 CG LEU A 327 8.967 4.458 -8.758 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.734 3.599 -8.988 1.00 0.00 C ATOM 529 CD2 LEU A 327 10.205 3.780 -9.325 1.00 0.00 C ATOM 0 H LEU A 327 9.634 6.976 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 327 10.814 6.330 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.934 6.331 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.500 5.738 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 327 9.111 4.575 -7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.891 2.613 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.870 4.070 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.556 3.498 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 327 10.316 2.792 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 327 10.102 3.680 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 327 11.085 4.382 -9.098 1.00 0.00 H new ATOM 541 N ARG A 328 9.957 8.286 -11.156 1.00 0.00 N ATOM 542 CA ARG A 328 9.687 9.537 -11.859 1.00 0.00 C ATOM 543 C ARG A 328 8.342 9.461 -12.569 1.00 0.00 C ATOM 544 O ARG A 328 7.711 10.485 -12.843 1.00 0.00 O ATOM 545 CB ARG A 328 10.797 9.844 -12.864 1.00 0.00 C ATOM 546 CG ARG A 328 10.694 11.231 -13.474 1.00 0.00 C ATOM 547 CD ARG A 328 11.803 11.494 -14.481 1.00 0.00 C ATOM 548 NE ARG A 328 13.131 11.451 -13.869 1.00 0.00 N ATOM 549 CZ ARG A 328 13.952 12.501 -13.811 1.00 0.00 C ATOM 550 NH1 ARG A 328 13.544 13.691 -14.242 1.00 0.00 N ATOM 551 NH2 ARG A 328 15.178 12.358 -13.318 1.00 0.00 N ATOM 0 H ARG A 328 10.401 7.568 -11.728 1.00 0.00 H new ATOM 0 HA ARG A 328 9.655 10.343 -11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.763 9.744 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.770 9.102 -13.662 1.00 0.00 H new ATOM 0 HG2 ARG A 328 9.726 11.341 -13.963 1.00 0.00 H new ATOM 0 HG3 ARG A 328 10.738 11.979 -12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 328 11.749 10.753 -15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 328 11.649 12.470 -14.941 1.00 0.00 H new ATOM 0 HE ARG A 328 13.447 10.570 -13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.602 13.802 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.173 14.493 -14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 328 15.490 11.446 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 328 15.806 13.160 -13.273 1.00 0.00 H new ATOM 565 N GLU A 329 7.908 8.244 -12.857 1.00 0.00 N ATOM 566 CA GLU A 329 6.652 8.008 -13.552 1.00 0.00 C ATOM 567 C GLU A 329 5.944 6.815 -12.917 1.00 0.00 C ATOM 568 O GLU A 329 6.583 5.980 -12.273 1.00 0.00 O ATOM 569 CB GLU A 329 6.914 7.720 -15.033 1.00 0.00 C ATOM 570 CG GLU A 329 7.692 6.430 -15.264 1.00 0.00 C ATOM 571 CD GLU A 329 7.932 6.130 -16.722 1.00 0.00 C ATOM 572 OE1 GLU A 329 6.943 5.959 -17.471 1.00 0.00 O ATOM 573 OE2 GLU A 329 9.110 6.062 -17.133 1.00 0.00 O ATOM 0 H GLU A 329 8.416 7.393 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 329 6.025 8.896 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 329 5.961 7.662 -15.559 1.00 0.00 H new ATOM 0 HB3 GLU A 329 7.467 8.553 -15.466 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.652 6.496 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.147 5.600 -14.815 1.00 0.00 H new ATOM 580 N ILE A 330 4.631 6.750 -13.074 1.00 0.00 N ATOM 581 CA ILE A 330 3.875 5.582 -12.645 1.00 0.00 C ATOM 582 C ILE A 330 3.966 4.484 -13.701 1.00 0.00 C ATOM 583 O ILE A 330 3.499 4.666 -14.828 1.00 0.00 O ATOM 584 CB ILE A 330 2.388 5.915 -12.384 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.259 7.050 -11.363 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.642 4.675 -11.906 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.827 7.472 -11.097 1.00 0.00 C ATOM 0 H ILE A 330 4.068 7.489 -13.494 1.00 0.00 H new ATOM 0 HA ILE A 330 4.314 5.240 -11.708 1.00 0.00 H new ATOM 0 HB ILE A 330 1.940 6.248 -13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.716 6.736 -10.425 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.822 7.913 -11.719 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.597 4.926 -11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.703 3.898 -12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.092 4.313 -10.981 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.816 8.279 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.371 7.818 -12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.263 6.623 -10.710 1.00 0.00 H new ATOM 599 N PRO A 331 4.592 3.348 -13.368 1.00 0.00 N ATOM 600 CA PRO A 331 4.728 2.220 -14.288 1.00 0.00 C ATOM 601 C PRO A 331 3.376 1.636 -14.677 1.00 0.00 C ATOM 602 O PRO A 331 2.541 1.349 -13.822 1.00 0.00 O ATOM 603 CB PRO A 331 5.545 1.191 -13.500 1.00 0.00 C ATOM 604 CG PRO A 331 6.170 1.956 -12.381 1.00 0.00 C ATOM 605 CD PRO A 331 5.221 3.072 -12.064 1.00 0.00 C ATOM 0 HA PRO A 331 5.200 2.519 -15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.909 0.390 -13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.303 0.725 -14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.326 1.318 -11.511 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.146 2.344 -12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.486 2.777 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.741 3.946 -11.673 1.00 0.00 H new ATOM 613 N SER A 332 3.164 1.465 -15.974 1.00 0.00 N ATOM 614 CA SER A 332 1.906 0.940 -16.473 1.00 0.00 C ATOM 615 C SER A 332 1.870 -0.579 -16.344 1.00 0.00 C ATOM 616 O SER A 332 2.372 -1.298 -17.204 1.00 0.00 O ATOM 617 CB SER A 332 1.728 1.335 -17.946 1.00 0.00 C ATOM 618 OG SER A 332 2.141 2.675 -18.164 1.00 0.00 O ATOM 0 H SER A 332 3.848 1.683 -16.698 1.00 0.00 H new ATOM 0 HA SER A 332 1.094 1.361 -15.880 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.308 0.664 -18.579 1.00 0.00 H new ATOM 0 HB3 SER A 332 0.683 1.221 -18.234 1.00 0.00 H new ATOM 0 HG SER A 332 2.021 2.905 -19.109 1.00 0.00 H new ATOM 624 N GLY A 333 1.307 -1.064 -15.251 1.00 0.00 N ATOM 625 CA GLY A 333 1.171 -2.492 -15.062 1.00 0.00 C ATOM 626 C GLY A 333 1.269 -2.897 -13.615 1.00 0.00 C ATOM 627 O GLY A 333 1.102 -2.069 -12.718 1.00 0.00 O ATOM 0 H GLY A 333 0.941 -0.494 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 333 0.211 -2.818 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 333 1.945 -3.006 -15.632 1.00 0.00 H new ATOM 631 N THR A 334 1.542 -4.175 -13.385 1.00 0.00 N ATOM 632 CA THR A 334 1.665 -4.713 -12.043 1.00 0.00 C ATOM 633 C THR A 334 2.995 -4.318 -11.408 1.00 0.00 C ATOM 634 O THR A 334 4.067 -4.695 -11.887 1.00 0.00 O ATOM 635 CB THR A 334 1.519 -6.242 -12.065 1.00 0.00 C ATOM 636 OG1 THR A 334 2.129 -6.769 -13.251 1.00 0.00 O ATOM 637 CG2 THR A 334 0.053 -6.650 -12.026 1.00 0.00 C ATOM 0 H THR A 334 1.684 -4.864 -14.124 1.00 0.00 H new ATOM 0 HA THR A 334 0.864 -4.289 -11.437 1.00 0.00 H new ATOM 0 HB THR A 334 2.015 -6.645 -11.182 1.00 0.00 H new ATOM 0 HG1 THR A 334 2.036 -7.744 -13.261 1.00 0.00 H new ATOM 0 HG21 THR A 334 -0.023 -7.737 -12.043 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.407 -6.268 -11.115 1.00 0.00 H new ATOM 0 HG23 THR A 334 -0.463 -6.237 -12.893 1.00 0.00 H new ATOM 645 N TRP A 335 2.912 -3.566 -10.321 1.00 0.00 N ATOM 646 CA TRP A 335 4.083 -3.010 -9.662 1.00 0.00 C ATOM 647 C TRP A 335 4.387 -3.772 -8.376 1.00 0.00 C ATOM 648 O TRP A 335 3.479 -4.267 -7.701 1.00 0.00 O ATOM 649 CB TRP A 335 3.857 -1.524 -9.359 1.00 0.00 C ATOM 650 CG TRP A 335 5.023 -0.855 -8.699 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.226 -0.548 -9.268 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.094 -0.400 -7.341 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.043 0.058 -8.350 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.369 0.165 -7.158 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.204 -0.417 -6.260 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.775 0.708 -5.945 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.609 0.122 -5.056 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.885 0.677 -4.902 1.00 0.00 C ATOM 0 H TRP A 335 2.029 -3.324 -9.871 1.00 0.00 H new ATOM 0 HA TRP A 335 4.939 -3.109 -10.330 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.631 -1.004 -10.290 1.00 0.00 H new ATOM 0 HB3 TRP A 335 2.982 -1.423 -8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.495 -0.753 -10.294 1.00 0.00 H new ATOM 0 HE1 TRP A 335 7.996 0.377 -8.523 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.218 -0.844 -6.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.758 1.140 -5.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.929 0.116 -4.217 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.173 1.088 -3.946 1.00 0.00 H new ATOM 669 N ARG A 336 5.669 -3.874 -8.046 1.00 0.00 N ATOM 670 CA ARG A 336 6.115 -4.564 -6.839 1.00 0.00 C ATOM 671 C ARG A 336 6.902 -3.599 -5.963 1.00 0.00 C ATOM 672 O ARG A 336 7.830 -2.944 -6.434 1.00 0.00 O ATOM 673 CB ARG A 336 7.008 -5.754 -7.200 1.00 0.00 C ATOM 674 CG ARG A 336 6.267 -6.943 -7.781 1.00 0.00 C ATOM 675 CD ARG A 336 7.244 -7.979 -8.302 1.00 0.00 C ATOM 676 NE ARG A 336 6.589 -9.243 -8.633 1.00 0.00 N ATOM 677 CZ ARG A 336 7.002 -10.065 -9.591 1.00 0.00 C ATOM 678 NH1 ARG A 336 7.990 -9.709 -10.399 1.00 0.00 N ATOM 679 NH2 ARG A 336 6.407 -11.236 -9.751 1.00 0.00 N ATOM 0 H ARG A 336 6.427 -3.483 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 336 5.239 -4.927 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.759 -5.424 -7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.542 -6.076 -6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.629 -7.389 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.614 -6.612 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.745 -7.589 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 336 8.015 -8.157 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 336 5.764 -9.510 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 336 8.438 -8.799 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 336 8.303 -10.345 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 336 5.635 -11.504 -9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 336 6.720 -11.871 -10.485 1.00 0.00 H new ATOM 693 N CYS A 337 6.521 -3.499 -4.704 1.00 0.00 N ATOM 694 CA CYS A 337 7.214 -2.615 -3.776 1.00 0.00 C ATOM 695 C CYS A 337 8.501 -3.253 -3.258 1.00 0.00 C ATOM 696 O CYS A 337 8.799 -4.408 -3.570 1.00 0.00 O ATOM 697 CB CYS A 337 6.301 -2.234 -2.611 1.00 0.00 C ATOM 698 SG CYS A 337 5.725 -3.648 -1.612 1.00 0.00 S ATOM 0 H CYS A 337 5.740 -4.014 -4.298 1.00 0.00 H new ATOM 0 HA CYS A 337 7.483 -1.709 -4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 337 6.832 -1.538 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.433 -1.704 -3.004 1.00 0.00 H new ATOM 0 HG CYS A 337 5.840 -4.743 -2.303 1.00 0.00 H new ATOM 703 N SER A 338 9.245 -2.510 -2.446 1.00 0.00 N ATOM 704 CA SER A 338 10.528 -2.978 -1.929 1.00 0.00 C ATOM 705 C SER A 338 10.363 -4.263 -1.108 1.00 0.00 C ATOM 706 O SER A 338 11.178 -5.180 -1.206 1.00 0.00 O ATOM 707 CB SER A 338 11.153 -1.881 -1.073 1.00 0.00 C ATOM 708 OG SER A 338 11.145 -0.639 -1.761 1.00 0.00 O ATOM 0 H SER A 338 8.981 -1.577 -2.130 1.00 0.00 H new ATOM 0 HA SER A 338 11.182 -3.207 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 338 10.603 -1.787 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.177 -2.153 -0.816 1.00 0.00 H new ATOM 0 HG SER A 338 11.548 0.051 -1.194 1.00 0.00 H new ATOM 714 N SER A 339 9.295 -4.319 -0.318 1.00 0.00 N ATOM 715 CA SER A 339 8.978 -5.496 0.484 1.00 0.00 C ATOM 716 C SER A 339 8.935 -6.766 -0.377 1.00 0.00 C ATOM 717 O SER A 339 9.441 -7.813 0.020 1.00 0.00 O ATOM 718 CB SER A 339 7.638 -5.278 1.187 1.00 0.00 C ATOM 719 OG SER A 339 7.598 -3.993 1.793 1.00 0.00 O ATOM 0 H SER A 339 8.628 -3.554 -0.216 1.00 0.00 H new ATOM 0 HA SER A 339 9.763 -5.635 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.824 -5.373 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.488 -6.048 1.943 1.00 0.00 H new ATOM 0 HG SER A 339 6.734 -3.868 2.237 1.00 0.00 H new ATOM 725 N CYS A 340 8.359 -6.654 -1.572 1.00 0.00 N ATOM 726 CA CYS A 340 8.270 -7.786 -2.489 1.00 0.00 C ATOM 727 C CYS A 340 9.658 -8.229 -2.947 1.00 0.00 C ATOM 728 O CYS A 340 9.922 -9.423 -3.098 1.00 0.00 O ATOM 729 CB CYS A 340 7.423 -7.421 -3.701 1.00 0.00 C ATOM 730 SG CYS A 340 5.755 -6.817 -3.289 1.00 0.00 S ATOM 0 H CYS A 340 7.947 -5.791 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 340 7.799 -8.612 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.943 -6.655 -4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.332 -8.296 -4.344 1.00 0.00 H new ATOM 0 HG CYS A 340 5.324 -6.047 -4.244 1.00 0.00 H new ATOM 735 N LEU A 341 10.538 -7.253 -3.164 1.00 0.00 N ATOM 736 CA LEU A 341 11.897 -7.522 -3.620 1.00 0.00 C ATOM 737 C LEU A 341 12.732 -8.126 -2.492 1.00 0.00 C ATOM 738 O LEU A 341 13.527 -9.040 -2.711 1.00 0.00 O ATOM 739 CB LEU A 341 12.552 -6.228 -4.107 1.00 0.00 C ATOM 740 CG LEU A 341 11.800 -5.500 -5.225 1.00 0.00 C ATOM 741 CD1 LEU A 341 12.480 -4.178 -5.553 1.00 0.00 C ATOM 742 CD2 LEU A 341 11.714 -6.371 -6.477 1.00 0.00 C ATOM 0 H LEU A 341 10.330 -6.263 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 341 11.849 -8.235 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.656 -5.551 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.558 -6.458 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 341 10.788 -5.297 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.932 -3.675 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.493 -3.545 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 341 13.503 -4.366 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 341 11.176 -5.834 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 341 12.719 -6.607 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 341 11.185 -7.295 -6.242 1.00 0.00 H new