USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=14 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 151:sc= -0.143 USER MOD Set 1.2: A 302 CYS SG : rot -44:sc= 0.0487 USER MOD Set 1.3: A 319 HIS : +bothHN:sc= 0.859 K(o=-2.4,f=-11!) USER MOD Set 1.4: A 322 CYS SG : rot -158:sc= -3.19! USER MOD Set 2.1: A 311 CYS SG : rot 7:sc= 2.03 USER MOD Set 2.2: A 314 CYS SG : rot 74:sc= 0.76 USER MOD Set 2.3: A 337 CYS SG : rot -25:sc= 0.813 USER MOD Set 2.4: A 339 SER OG : rot 180:sc= 0.0509 USER MOD Set 2.5: A 340 CYS SG : rot 143:sc= 2.68 USER MOD Set 3.1: A 295 ASN : amide:sc= 1.33 K(o=2.8,f=1.4) USER MOD Set 3.2: A 310 CYS SG : rot 83:sc= 1.47 USER MOD Single : A 324 SER OG : rot 49:sc= 0.00205 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 45:sc= 0.108 USER MOD Single : A 338 SER OG : rot -152:sc= 0.046 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -7.309 -1.693 -0.683 1.00 0.00 N ATOM 86 CA ASN A 295 -6.082 -1.001 -1.016 1.00 0.00 C ATOM 87 C ASN A 295 -6.058 0.303 -0.249 1.00 0.00 C ATOM 88 O ASN A 295 -6.979 1.114 -0.386 1.00 0.00 O ATOM 89 CB ASN A 295 -6.010 -0.735 -2.530 1.00 0.00 C ATOM 90 CG ASN A 295 -6.042 -2.012 -3.347 1.00 0.00 C ATOM 91 OD1 ASN A 295 -7.114 -2.510 -3.704 1.00 0.00 O ATOM 92 ND2 ASN A 295 -4.873 -2.536 -3.683 1.00 0.00 N ATOM 0 HA ASN A 295 -5.221 -1.612 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -6.845 -0.099 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -5.096 -0.186 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -4.838 -3.379 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -4.008 -2.096 -3.369 1.00 0.00 H new ATOM 99 N GLU A 296 -5.027 0.501 0.548 1.00 0.00 N ATOM 100 CA GLU A 296 -4.991 1.624 1.469 1.00 0.00 C ATOM 101 C GLU A 296 -4.896 2.932 0.706 1.00 0.00 C ATOM 102 O GLU A 296 -4.060 3.088 -0.186 1.00 0.00 O ATOM 103 CB GLU A 296 -3.821 1.478 2.438 1.00 0.00 C ATOM 104 CG GLU A 296 -3.881 0.194 3.262 1.00 0.00 C ATOM 105 CD GLU A 296 -2.814 0.122 4.326 1.00 0.00 C ATOM 106 OE1 GLU A 296 -3.022 0.694 5.421 1.00 0.00 O ATOM 107 OE2 GLU A 296 -1.768 -0.522 4.093 1.00 0.00 O ATOM 0 H GLU A 296 -4.203 -0.099 0.578 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.916 1.632 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.887 1.498 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -3.806 2.335 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -4.861 0.117 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.780 -0.663 2.596 1.00 0.00 H new ATOM 114 N ASP A 297 -5.761 3.869 1.059 1.00 0.00 N ATOM 115 CA ASP A 297 -5.830 5.155 0.373 1.00 0.00 C ATOM 116 C ASP A 297 -4.867 6.149 1.004 1.00 0.00 C ATOM 117 O ASP A 297 -5.123 7.355 1.016 1.00 0.00 O ATOM 118 CB ASP A 297 -7.253 5.721 0.414 1.00 0.00 C ATOM 119 CG ASP A 297 -8.262 4.850 -0.309 1.00 0.00 C ATOM 120 OD1 ASP A 297 -8.249 4.826 -1.556 1.00 0.00 O ATOM 121 OD2 ASP A 297 -9.081 4.193 0.365 1.00 0.00 O ATOM 0 H ASP A 297 -6.430 3.764 1.821 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.547 4.993 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.561 5.837 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -7.255 6.715 -0.032 1.00 0.00 H new ATOM 126 N GLU A 298 -3.759 5.644 1.521 1.00 0.00 N ATOM 127 CA GLU A 298 -2.785 6.479 2.193 1.00 0.00 C ATOM 128 C GLU A 298 -1.381 5.923 1.984 1.00 0.00 C ATOM 129 O GLU A 298 -1.180 4.708 1.929 1.00 0.00 O ATOM 130 CB GLU A 298 -3.103 6.571 3.688 1.00 0.00 C ATOM 131 CG GLU A 298 -3.066 5.230 4.410 1.00 0.00 C ATOM 132 CD GLU A 298 -3.327 5.360 5.891 1.00 0.00 C ATOM 133 OE1 GLU A 298 -2.484 5.953 6.596 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.369 4.860 6.359 1.00 0.00 O ATOM 0 H GLU A 298 -3.514 4.655 1.486 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.831 7.481 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -2.390 7.247 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -4.092 7.013 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -3.809 4.565 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -2.092 4.766 4.256 1.00 0.00 H new ATOM 141 N CYS A 299 -0.421 6.821 1.843 1.00 0.00 N ATOM 142 CA CYS A 299 0.976 6.437 1.749 1.00 0.00 C ATOM 143 C CYS A 299 1.488 6.015 3.115 1.00 0.00 C ATOM 144 O CYS A 299 1.006 6.493 4.147 1.00 0.00 O ATOM 145 CB CYS A 299 1.813 7.595 1.203 1.00 0.00 C ATOM 146 SG CYS A 299 3.592 7.227 1.019 1.00 0.00 S ATOM 0 H CYS A 299 -0.586 7.826 1.791 1.00 0.00 H new ATOM 0 HA CYS A 299 1.064 5.596 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.414 7.888 0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.700 8.452 1.866 1.00 0.00 H new ATOM 0 HG CYS A 299 4.085 7.940 0.050 1.00 0.00 H new ATOM 151 N ALA A 300 2.497 5.157 3.129 1.00 0.00 N ATOM 152 CA ALA A 300 2.993 4.583 4.365 1.00 0.00 C ATOM 153 C ALA A 300 4.276 5.290 4.787 1.00 0.00 C ATOM 154 O ALA A 300 4.841 5.025 5.845 1.00 0.00 O ATOM 155 CB ALA A 300 3.228 3.089 4.196 1.00 0.00 C ATOM 0 H ALA A 300 2.989 4.843 2.292 1.00 0.00 H new ATOM 0 HA ALA A 300 2.247 4.722 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.600 2.671 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.291 2.601 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.962 2.923 3.407 1.00 0.00 H new ATOM 161 N VAL A 301 4.719 6.198 3.922 1.00 0.00 N ATOM 162 CA VAL A 301 5.944 6.946 4.151 1.00 0.00 C ATOM 163 C VAL A 301 5.647 8.309 4.775 1.00 0.00 C ATOM 164 O VAL A 301 6.169 8.644 5.834 1.00 0.00 O ATOM 165 CB VAL A 301 6.745 7.137 2.841 1.00 0.00 C ATOM 166 CG1 VAL A 301 8.051 7.871 3.101 1.00 0.00 C ATOM 167 CG2 VAL A 301 7.012 5.794 2.182 1.00 0.00 C ATOM 0 H VAL A 301 4.242 6.432 3.051 1.00 0.00 H new ATOM 0 HA VAL A 301 6.549 6.363 4.845 1.00 0.00 H new ATOM 0 HB VAL A 301 6.145 7.745 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.594 7.991 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.839 8.852 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.658 7.296 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.576 5.946 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.587 5.164 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.064 5.308 1.950 1.00 0.00 H new ATOM 177 N CYS A 302 4.784 9.084 4.119 1.00 0.00 N ATOM 178 CA CYS A 302 4.548 10.466 4.528 1.00 0.00 C ATOM 179 C CYS A 302 3.121 10.691 5.026 1.00 0.00 C ATOM 180 O CYS A 302 2.714 11.832 5.241 1.00 0.00 O ATOM 181 CB CYS A 302 4.833 11.403 3.364 1.00 0.00 C ATOM 182 SG CYS A 302 3.912 10.979 1.848 1.00 0.00 S ATOM 0 H CYS A 302 4.242 8.781 3.310 1.00 0.00 H new ATOM 0 HA CYS A 302 5.223 10.677 5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.583 12.422 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.901 11.387 3.148 1.00 0.00 H new ATOM 0 HG CYS A 302 3.962 9.694 1.655 1.00 0.00 H new ATOM 187 N ARG A 303 2.361 9.603 5.197 1.00 0.00 N ATOM 188 CA ARG A 303 0.974 9.661 5.697 1.00 0.00 C ATOM 189 C ARG A 303 0.009 10.311 4.691 1.00 0.00 C ATOM 190 O ARG A 303 -1.198 10.355 4.930 1.00 0.00 O ATOM 191 CB ARG A 303 0.890 10.445 7.004 1.00 0.00 C ATOM 192 CG ARG A 303 1.749 9.899 8.128 1.00 0.00 C ATOM 193 CD ARG A 303 1.597 10.769 9.358 1.00 0.00 C ATOM 194 NE ARG A 303 2.465 10.359 10.463 1.00 0.00 N ATOM 195 CZ ARG A 303 2.183 10.585 11.746 1.00 0.00 C ATOM 196 NH1 ARG A 303 1.083 11.248 12.078 1.00 0.00 N ATOM 197 NH2 ARG A 303 3.009 10.170 12.692 1.00 0.00 N ATOM 0 H ARG A 303 2.685 8.657 4.994 1.00 0.00 H new ATOM 0 HA ARG A 303 0.676 8.624 5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.181 11.478 6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.148 10.463 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 303 1.456 8.875 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.794 9.870 7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.819 11.803 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 303 0.559 10.741 9.690 1.00 0.00 H new ATOM 0 HE ARG A 303 3.334 9.874 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 303 0.452 11.585 11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 303 0.868 11.420 13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 303 3.865 9.675 12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 303 2.790 10.345 13.673 1.00 0.00 H new ATOM 211 N ASP A 304 0.532 10.815 3.586 1.00 0.00 N ATOM 212 CA ASP A 304 -0.280 11.576 2.632 1.00 0.00 C ATOM 213 C ASP A 304 -0.910 10.672 1.586 1.00 0.00 C ATOM 214 O ASP A 304 -0.583 9.492 1.491 1.00 0.00 O ATOM 215 CB ASP A 304 0.565 12.648 1.936 1.00 0.00 C ATOM 216 CG ASP A 304 1.005 13.750 2.873 1.00 0.00 C ATOM 217 OD1 ASP A 304 0.153 14.276 3.619 1.00 0.00 O ATOM 218 OD2 ASP A 304 2.197 14.120 2.837 1.00 0.00 O ATOM 0 H ASP A 304 1.512 10.715 3.321 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.078 12.055 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.445 12.180 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.010 13.082 1.117 1.00 0.00 H new ATOM 223 N GLY A 305 -1.814 11.240 0.805 1.00 0.00 N ATOM 224 CA GLY A 305 -2.432 10.511 -0.278 1.00 0.00 C ATOM 225 C GLY A 305 -2.371 11.292 -1.567 1.00 0.00 C ATOM 226 O GLY A 305 -1.403 12.016 -1.815 1.00 0.00 O ATOM 0 H GLY A 305 -2.133 12.204 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -1.930 9.552 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.471 10.296 -0.029 1.00 0.00 H new ATOM 230 N GLY A 306 -3.399 11.168 -2.391 1.00 0.00 N ATOM 231 CA GLY A 306 -3.425 11.895 -3.642 1.00 0.00 C ATOM 232 C GLY A 306 -2.890 11.069 -4.795 1.00 0.00 C ATOM 233 O GLY A 306 -3.548 10.135 -5.248 1.00 0.00 O ATOM 0 H GLY A 306 -4.213 10.579 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.448 12.202 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.833 12.805 -3.544 1.00 0.00 H new ATOM 237 N GLU A 307 -1.681 11.387 -5.246 1.00 0.00 N ATOM 238 CA GLU A 307 -1.069 10.675 -6.360 1.00 0.00 C ATOM 239 C GLU A 307 -0.406 9.401 -5.863 1.00 0.00 C ATOM 240 O GLU A 307 0.821 9.312 -5.781 1.00 0.00 O ATOM 241 CB GLU A 307 -0.027 11.554 -7.051 1.00 0.00 C ATOM 242 CG GLU A 307 -0.530 12.940 -7.407 1.00 0.00 C ATOM 243 CD GLU A 307 0.502 13.745 -8.158 1.00 0.00 C ATOM 244 OE1 GLU A 307 1.629 13.912 -7.641 1.00 0.00 O ATOM 245 OE2 GLU A 307 0.199 14.205 -9.278 1.00 0.00 O ATOM 0 H GLU A 307 -1.106 12.134 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 307 -1.851 10.422 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.842 11.650 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 307 0.309 11.056 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -1.432 12.853 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -0.808 13.469 -6.495 1.00 0.00 H new ATOM 252 N LEU A 308 -1.218 8.419 -5.514 1.00 0.00 N ATOM 253 CA LEU A 308 -0.718 7.197 -4.924 1.00 0.00 C ATOM 254 C LEU A 308 -0.645 6.063 -5.926 1.00 0.00 C ATOM 255 O LEU A 308 -1.472 5.954 -6.830 1.00 0.00 O ATOM 256 CB LEU A 308 -1.599 6.777 -3.750 1.00 0.00 C ATOM 257 CG LEU A 308 -1.494 7.661 -2.508 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.476 7.198 -1.456 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.074 7.639 -1.979 1.00 0.00 C ATOM 0 H LEU A 308 -2.231 8.448 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 308 0.294 7.404 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.637 6.766 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.342 5.755 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 308 -1.744 8.688 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.393 7.835 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.489 7.258 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.255 6.167 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.006 8.271 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.201 6.617 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.605 8.013 -2.745 1.00 0.00 H new ATOM 271 N ILE A 309 0.362 5.232 -5.751 1.00 0.00 N ATOM 272 CA ILE A 309 0.475 3.992 -6.485 1.00 0.00 C ATOM 273 C ILE A 309 0.540 2.844 -5.486 1.00 0.00 C ATOM 274 O ILE A 309 1.407 2.817 -4.612 1.00 0.00 O ATOM 275 CB ILE A 309 1.710 3.978 -7.425 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.847 2.610 -8.105 1.00 0.00 C ATOM 277 CG2 ILE A 309 2.984 4.351 -6.672 1.00 0.00 C ATOM 278 CD1 ILE A 309 2.978 2.538 -9.111 1.00 0.00 C ATOM 0 H ILE A 309 1.125 5.399 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.399 3.883 -7.127 1.00 0.00 H new ATOM 0 HB ILE A 309 1.559 4.731 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.004 1.849 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 309 0.910 2.369 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.831 4.332 -7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.879 5.352 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.153 3.636 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.012 1.541 -9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 309 2.813 3.275 -9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 309 3.924 2.747 -8.611 1.00 0.00 H new ATOM 290 N CYS A 310 -0.407 1.927 -5.577 1.00 0.00 N ATOM 291 CA CYS A 310 -0.487 0.829 -4.638 1.00 0.00 C ATOM 292 C CYS A 310 0.352 -0.340 -5.131 1.00 0.00 C ATOM 293 O CYS A 310 0.580 -0.492 -6.333 1.00 0.00 O ATOM 294 CB CYS A 310 -1.948 0.403 -4.460 1.00 0.00 C ATOM 295 SG CYS A 310 -2.227 -0.841 -3.187 1.00 0.00 S ATOM 0 H CYS A 310 -1.132 1.924 -6.295 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.097 1.153 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.542 1.285 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.317 0.018 -5.411 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.305 -0.263 -2.025 1.00 0.00 H new ATOM 301 N CYS A 311 0.811 -1.161 -4.204 1.00 0.00 N ATOM 302 CA CYS A 311 1.666 -2.279 -4.549 1.00 0.00 C ATOM 303 C CYS A 311 0.822 -3.532 -4.738 1.00 0.00 C ATOM 304 O CYS A 311 -0.182 -3.730 -4.060 1.00 0.00 O ATOM 305 CB CYS A 311 2.711 -2.497 -3.462 1.00 0.00 C ATOM 306 SG CYS A 311 3.838 -3.896 -3.778 1.00 0.00 S ATOM 0 H CYS A 311 0.606 -1.074 -3.209 1.00 0.00 H new ATOM 0 HA CYS A 311 2.183 -2.059 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.301 -1.587 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.202 -2.662 -2.512 1.00 0.00 H new ATOM 0 HG CYS A 311 3.621 -4.367 -4.970 1.00 0.00 H new ATOM 311 N ASP A 312 1.224 -4.377 -5.681 1.00 0.00 N ATOM 312 CA ASP A 312 0.474 -5.590 -5.985 1.00 0.00 C ATOM 313 C ASP A 312 0.719 -6.645 -4.920 1.00 0.00 C ATOM 314 O ASP A 312 -0.081 -7.560 -4.735 1.00 0.00 O ATOM 315 CB ASP A 312 0.846 -6.133 -7.362 1.00 0.00 C ATOM 316 CG ASP A 312 0.033 -7.357 -7.735 1.00 0.00 C ATOM 317 OD1 ASP A 312 -1.201 -7.227 -7.901 1.00 0.00 O ATOM 318 OD2 ASP A 312 0.624 -8.450 -7.874 1.00 0.00 O ATOM 0 H ASP A 312 2.063 -4.245 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.586 -5.338 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 312 0.693 -5.356 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 312 1.906 -6.385 -7.377 1.00 0.00 H new ATOM 323 N GLY A 313 1.818 -6.495 -4.197 1.00 0.00 N ATOM 324 CA GLY A 313 2.117 -7.410 -3.113 1.00 0.00 C ATOM 325 C GLY A 313 1.610 -6.894 -1.778 1.00 0.00 C ATOM 326 O GLY A 313 1.096 -7.654 -0.957 1.00 0.00 O ATOM 0 H GLY A 313 2.508 -5.758 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.666 -8.380 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 313 3.194 -7.565 -3.056 1.00 0.00 H new ATOM 330 N CYS A 314 1.737 -5.590 -1.577 1.00 0.00 N ATOM 331 CA CYS A 314 1.310 -4.959 -0.336 1.00 0.00 C ATOM 332 C CYS A 314 0.211 -3.946 -0.619 1.00 0.00 C ATOM 333 O CYS A 314 0.407 -3.047 -1.434 1.00 0.00 O ATOM 334 CB CYS A 314 2.492 -4.277 0.349 1.00 0.00 C ATOM 335 SG CYS A 314 3.851 -5.411 0.787 1.00 0.00 S ATOM 0 H CYS A 314 2.134 -4.946 -2.261 1.00 0.00 H new ATOM 0 HA CYS A 314 0.920 -5.728 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.880 -3.499 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.139 -3.783 1.254 1.00 0.00 H new ATOM 0 HG CYS A 314 4.492 -5.757 -0.290 1.00 0.00 H new ATOM 340 N PRO A 315 -0.957 -4.069 0.043 1.00 0.00 N ATOM 341 CA PRO A 315 -2.100 -3.151 -0.156 1.00 0.00 C ATOM 342 C PRO A 315 -1.766 -1.694 0.178 1.00 0.00 C ATOM 343 O PRO A 315 -2.550 -0.783 -0.103 1.00 0.00 O ATOM 344 CB PRO A 315 -3.162 -3.686 0.810 1.00 0.00 C ATOM 345 CG PRO A 315 -2.769 -5.098 1.073 1.00 0.00 C ATOM 346 CD PRO A 315 -1.269 -5.121 1.021 1.00 0.00 C ATOM 0 HA PRO A 315 -2.416 -3.131 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.185 -3.105 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -4.158 -3.629 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -3.132 -5.430 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -3.197 -5.768 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -0.828 -4.910 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.891 -6.093 0.703 1.00 0.00 H new ATOM 354 N ARG A 316 -0.604 -1.499 0.785 1.00 0.00 N ATOM 355 CA ARG A 316 -0.103 -0.167 1.113 1.00 0.00 C ATOM 356 C ARG A 316 0.092 0.677 -0.145 1.00 0.00 C ATOM 357 O ARG A 316 0.375 0.148 -1.228 1.00 0.00 O ATOM 358 CB ARG A 316 1.224 -0.276 1.867 1.00 0.00 C ATOM 359 CG ARG A 316 1.158 -1.184 3.083 1.00 0.00 C ATOM 360 CD ARG A 316 2.497 -1.291 3.779 1.00 0.00 C ATOM 361 NE ARG A 316 2.497 -2.368 4.765 1.00 0.00 N ATOM 362 CZ ARG A 316 3.157 -2.335 5.917 1.00 0.00 C ATOM 363 NH1 ARG A 316 3.862 -1.258 6.257 1.00 0.00 N ATOM 364 NH2 ARG A 316 3.100 -3.379 6.732 1.00 0.00 N ATOM 0 H ARG A 316 0.019 -2.257 1.065 1.00 0.00 H new ATOM 0 HA ARG A 316 -0.844 0.323 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 316 1.990 -0.649 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 316 1.536 0.719 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 316 0.415 -0.801 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 316 0.827 -2.177 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.279 -1.470 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 316 2.731 -0.346 4.269 1.00 0.00 H new ATOM 0 HE ARG A 316 1.952 -3.204 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 316 3.897 -0.453 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 316 4.367 -1.238 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 316 2.552 -4.199 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 316 3.604 -3.362 7.619 1.00 0.00 H new ATOM 378 N ALA A 317 -0.058 1.986 0.005 1.00 0.00 N ATOM 379 CA ALA A 317 0.121 2.912 -1.095 1.00 0.00 C ATOM 380 C ALA A 317 1.381 3.744 -0.903 1.00 0.00 C ATOM 381 O ALA A 317 1.840 3.938 0.226 1.00 0.00 O ATOM 382 CB ALA A 317 -1.099 3.808 -1.237 1.00 0.00 C ATOM 0 H ALA A 317 -0.306 2.430 0.889 1.00 0.00 H new ATOM 0 HA ALA A 317 0.235 2.336 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.949 4.498 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.980 3.195 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.244 4.374 -0.317 1.00 0.00 H new ATOM 388 N PHE A 318 1.939 4.219 -1.999 1.00 0.00 N ATOM 389 CA PHE A 318 3.180 4.984 -1.962 1.00 0.00 C ATOM 390 C PHE A 318 3.155 6.116 -2.981 1.00 0.00 C ATOM 391 O PHE A 318 2.369 6.084 -3.929 1.00 0.00 O ATOM 392 CB PHE A 318 4.373 4.065 -2.248 1.00 0.00 C ATOM 393 CG PHE A 318 4.538 2.945 -1.266 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.135 3.172 -0.036 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.095 1.664 -1.559 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.286 2.144 0.881 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.243 0.635 -0.653 1.00 0.00 C ATOM 398 CZ PHE A 318 4.838 0.876 0.565 1.00 0.00 C ATOM 0 H PHE A 318 1.553 4.090 -2.934 1.00 0.00 H new ATOM 0 HA PHE A 318 3.281 5.415 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.261 3.643 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.284 4.663 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.487 4.163 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 318 3.626 1.469 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.751 2.333 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 318 3.893 -0.357 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 318 4.955 0.071 1.276 1.00 0.00 H new ATOM 408 N HIS A 319 4.010 7.114 -2.773 1.00 0.00 N ATOM 409 CA HIS A 319 4.188 8.193 -3.738 1.00 0.00 C ATOM 410 C HIS A 319 5.472 7.967 -4.517 1.00 0.00 C ATOM 411 O HIS A 319 6.423 7.392 -3.971 1.00 0.00 O ATOM 412 CB HIS A 319 4.268 9.561 -3.057 1.00 0.00 C ATOM 413 CG HIS A 319 2.994 10.027 -2.428 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.840 10.042 -1.068 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.874 10.520 -3.008 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.637 10.543 -0.847 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.018 10.846 -1.986 1.00 0.00 N ATOM 0 H HIS A 319 4.593 7.197 -1.940 1.00 0.00 H new ATOM 0 HA HIS A 319 3.322 8.187 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.042 9.524 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.584 10.300 -3.794 1.00 0.00 H new ATOM 0 HD1 HIS A 319 3.515 9.731 -0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.691 10.634 -4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.210 10.688 0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.084 11.245 -2.081 1.00 0.00 H new ATOM 425 N LEU A 320 5.515 8.439 -5.751 1.00 0.00 N ATOM 426 CA LEU A 320 6.642 8.167 -6.643 1.00 0.00 C ATOM 427 C LEU A 320 7.974 8.550 -6.003 1.00 0.00 C ATOM 428 O LEU A 320 8.844 7.695 -5.817 1.00 0.00 O ATOM 429 CB LEU A 320 6.472 8.922 -7.959 1.00 0.00 C ATOM 430 CG LEU A 320 5.230 8.549 -8.766 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.159 9.381 -10.037 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.227 7.064 -9.093 1.00 0.00 C ATOM 0 H LEU A 320 4.782 9.015 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 320 6.653 7.094 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.440 9.990 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 320 7.353 8.747 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 320 4.348 8.763 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 320 4.269 9.105 -10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 320 5.111 10.439 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 320 6.046 9.196 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 320 4.334 6.820 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 320 6.113 6.818 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 320 5.232 6.488 -8.168 1.00 0.00 H new ATOM 444 N ALA A 321 8.119 9.818 -5.629 1.00 0.00 N ATOM 445 CA ALA A 321 9.380 10.310 -5.069 1.00 0.00 C ATOM 446 C ALA A 321 9.600 9.841 -3.640 1.00 0.00 C ATOM 447 O ALA A 321 10.681 10.026 -3.082 1.00 0.00 O ATOM 448 CB ALA A 321 9.418 11.828 -5.140 1.00 0.00 C ATOM 0 H ALA A 321 7.385 10.522 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 321 10.190 9.895 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.358 12.188 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.338 12.146 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.586 12.240 -4.569 1.00 0.00 H new ATOM 454 N CYS A 322 8.583 9.236 -3.043 1.00 0.00 N ATOM 455 CA CYS A 322 8.702 8.734 -1.688 1.00 0.00 C ATOM 456 C CYS A 322 9.335 7.348 -1.679 1.00 0.00 C ATOM 457 O CYS A 322 9.856 6.903 -0.653 1.00 0.00 O ATOM 458 CB CYS A 322 7.339 8.714 -0.999 1.00 0.00 C ATOM 459 SG CYS A 322 6.608 10.367 -0.771 1.00 0.00 S ATOM 0 H CYS A 322 7.672 9.083 -3.476 1.00 0.00 H new ATOM 0 HA CYS A 322 9.354 9.407 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.654 8.102 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.441 8.234 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 322 5.731 10.325 0.188 1.00 0.00 H new ATOM 464 N LEU A 323 9.275 6.660 -2.817 1.00 0.00 N ATOM 465 CA LEU A 323 9.984 5.390 -2.972 1.00 0.00 C ATOM 466 C LEU A 323 11.491 5.587 -2.865 1.00 0.00 C ATOM 467 O LEU A 323 12.001 6.692 -3.062 1.00 0.00 O ATOM 468 CB LEU A 323 9.664 4.732 -4.313 1.00 0.00 C ATOM 469 CG LEU A 323 8.513 3.722 -4.312 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.768 2.617 -3.299 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.193 4.410 -4.028 1.00 0.00 C ATOM 0 H LEU A 323 8.748 6.956 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 323 9.645 4.739 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.431 5.517 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.562 4.228 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 323 8.457 3.272 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 323 7.938 1.910 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 323 9.692 2.097 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 323 8.857 3.050 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.390 3.673 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.237 4.893 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 323 7.001 5.160 -4.795 1.00 0.00 H new ATOM 483 N SER A 324 12.189 4.519 -2.528 1.00 0.00 N ATOM 484 CA SER A 324 13.639 4.518 -2.520 1.00 0.00 C ATOM 485 C SER A 324 14.165 3.241 -3.172 1.00 0.00 C ATOM 486 O SER A 324 14.001 2.147 -2.624 1.00 0.00 O ATOM 487 CB SER A 324 14.143 4.646 -1.081 1.00 0.00 C ATOM 488 OG SER A 324 13.332 3.892 -0.190 1.00 0.00 O ATOM 0 H SER A 324 11.769 3.631 -2.253 1.00 0.00 H new ATOM 0 HA SER A 324 14.008 5.368 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 324 15.175 4.300 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 324 14.140 5.694 -0.783 1.00 0.00 H new ATOM 0 HG SER A 324 13.205 2.989 -0.548 1.00 0.00 H new ATOM 494 N PRO A 325 14.788 3.339 -4.362 1.00 0.00 N ATOM 495 CA PRO A 325 15.008 4.608 -5.072 1.00 0.00 C ATOM 496 C PRO A 325 13.706 5.233 -5.576 1.00 0.00 C ATOM 497 O PRO A 325 12.768 4.522 -5.950 1.00 0.00 O ATOM 498 CB PRO A 325 15.895 4.205 -6.253 1.00 0.00 C ATOM 499 CG PRO A 325 15.612 2.761 -6.466 1.00 0.00 C ATOM 500 CD PRO A 325 15.335 2.195 -5.112 1.00 0.00 C ATOM 0 HA PRO A 325 15.451 5.363 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.659 4.790 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.949 4.373 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.758 2.624 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.461 2.261 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.624 1.371 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 325 16.241 1.807 -4.647 1.00 0.00 H new ATOM 508 N PRO A 326 13.641 6.579 -5.595 1.00 0.00 N ATOM 509 CA PRO A 326 12.433 7.319 -5.975 1.00 0.00 C ATOM 510 C PRO A 326 12.028 7.093 -7.427 1.00 0.00 C ATOM 511 O PRO A 326 12.864 7.122 -8.338 1.00 0.00 O ATOM 512 CB PRO A 326 12.821 8.786 -5.753 1.00 0.00 C ATOM 513 CG PRO A 326 14.309 8.804 -5.784 1.00 0.00 C ATOM 514 CD PRO A 326 14.747 7.479 -5.225 1.00 0.00 C ATOM 0 HA PRO A 326 11.571 6.996 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.403 9.426 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.442 9.154 -4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.677 8.940 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.702 9.628 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.694 7.153 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.887 7.523 -4.145 1.00 0.00 H new ATOM 522 N LEU A 327 10.738 6.883 -7.629 1.00 0.00 N ATOM 523 CA LEU A 327 10.193 6.678 -8.961 1.00 0.00 C ATOM 524 C LEU A 327 10.009 8.018 -9.657 1.00 0.00 C ATOM 525 O LEU A 327 9.729 9.030 -9.013 1.00 0.00 O ATOM 526 CB LEU A 327 8.849 5.949 -8.888 1.00 0.00 C ATOM 527 CG LEU A 327 8.888 4.547 -8.280 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.492 3.945 -8.261 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.842 3.654 -9.059 1.00 0.00 C ATOM 0 H LEU A 327 10.044 6.850 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 327 10.893 6.066 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 327 8.157 6.558 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.440 5.877 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 327 9.250 4.622 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.532 2.946 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.832 4.575 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 327 7.109 3.882 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.857 2.660 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.509 3.581 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.845 4.080 -9.030 1.00 0.00 H new ATOM 541 N ARG A 328 10.197 8.024 -10.967 1.00 0.00 N ATOM 542 CA ARG A 328 10.055 9.239 -11.751 1.00 0.00 C ATOM 543 C ARG A 328 8.746 9.224 -12.520 1.00 0.00 C ATOM 544 O ARG A 328 8.097 10.258 -12.682 1.00 0.00 O ATOM 545 CB ARG A 328 11.226 9.381 -12.726 1.00 0.00 C ATOM 546 CG ARG A 328 11.178 10.664 -13.536 1.00 0.00 C ATOM 547 CD ARG A 328 12.198 10.660 -14.656 1.00 0.00 C ATOM 548 NE ARG A 328 13.575 10.623 -14.173 1.00 0.00 N ATOM 549 CZ ARG A 328 14.634 10.732 -14.968 1.00 0.00 C ATOM 550 NH1 ARG A 328 14.475 10.848 -16.282 1.00 0.00 N ATOM 551 NH2 ARG A 328 15.856 10.715 -14.458 1.00 0.00 N ATOM 0 H ARG A 328 10.449 7.198 -11.510 1.00 0.00 H new ATOM 0 HA ARG A 328 10.054 10.089 -11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 328 12.161 9.346 -12.168 1.00 0.00 H new ATOM 0 HB3 ARG A 328 11.229 8.529 -13.406 1.00 0.00 H new ATOM 0 HG2 ARG A 328 10.180 10.793 -13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 328 11.361 11.515 -12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 328 12.021 9.797 -15.298 1.00 0.00 H new ATOM 0 HD3 ARG A 328 12.058 11.549 -15.271 1.00 0.00 H new ATOM 0 HE ARG A 328 13.733 10.507 -13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 328 13.537 10.854 -16.684 1.00 0.00 H new ATOM 0 HH12 ARG A 328 15.290 10.931 -16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 328 15.987 10.618 -13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 328 16.666 10.799 -15.072 1.00 0.00 H new ATOM 565 N GLU A 329 8.359 8.044 -12.987 1.00 0.00 N ATOM 566 CA GLU A 329 7.181 7.886 -13.827 1.00 0.00 C ATOM 567 C GLU A 329 6.365 6.688 -13.345 1.00 0.00 C ATOM 568 O GLU A 329 6.929 5.710 -12.850 1.00 0.00 O ATOM 569 CB GLU A 329 7.610 7.694 -15.287 1.00 0.00 C ATOM 570 CG GLU A 329 8.394 8.873 -15.846 1.00 0.00 C ATOM 571 CD GLU A 329 8.930 8.629 -17.240 1.00 0.00 C ATOM 572 OE1 GLU A 329 8.124 8.572 -18.185 1.00 0.00 O ATOM 573 OE2 GLU A 329 10.166 8.510 -17.393 1.00 0.00 O ATOM 0 H GLU A 329 8.852 7.172 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 329 6.561 8.780 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 329 8.219 6.793 -15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.723 7.533 -15.900 1.00 0.00 H new ATOM 0 HG2 GLU A 329 7.752 9.753 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.226 9.096 -15.178 1.00 0.00 H new ATOM 580 N ILE A 330 5.046 6.777 -13.483 1.00 0.00 N ATOM 581 CA ILE A 330 4.148 5.738 -12.980 1.00 0.00 C ATOM 582 C ILE A 330 4.095 4.543 -13.932 1.00 0.00 C ATOM 583 O ILE A 330 3.662 4.672 -15.077 1.00 0.00 O ATOM 584 CB ILE A 330 2.714 6.281 -12.780 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.724 7.512 -11.869 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.807 5.199 -12.206 1.00 0.00 C ATOM 587 CD1 ILE A 330 1.357 8.144 -11.678 1.00 0.00 C ATOM 0 H ILE A 330 4.573 7.557 -13.939 1.00 0.00 H new ATOM 0 HA ILE A 330 4.548 5.417 -12.018 1.00 0.00 H new ATOM 0 HB ILE A 330 2.323 6.578 -13.753 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.122 7.228 -10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 330 3.403 8.256 -12.286 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.802 5.600 -12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.772 4.352 -12.892 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.198 4.870 -11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 330 1.445 9.009 -11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.964 8.460 -12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.679 7.417 -11.231 1.00 0.00 H new ATOM 599 N PRO A 331 4.533 3.362 -13.462 1.00 0.00 N ATOM 600 CA PRO A 331 4.485 2.124 -14.241 1.00 0.00 C ATOM 601 C PRO A 331 3.062 1.592 -14.378 1.00 0.00 C ATOM 602 O PRO A 331 2.332 1.470 -13.391 1.00 0.00 O ATOM 603 CB PRO A 331 5.346 1.139 -13.433 1.00 0.00 C ATOM 604 CG PRO A 331 6.016 1.959 -12.374 1.00 0.00 C ATOM 605 CD PRO A 331 5.119 3.137 -12.133 1.00 0.00 C ATOM 0 HA PRO A 331 4.843 2.275 -15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.732 0.354 -12.991 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.081 0.647 -14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.153 1.380 -11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.005 2.282 -12.698 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.357 2.921 -11.384 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.675 4.006 -11.781 1.00 0.00 H new ATOM 613 N SER A 332 2.673 1.276 -15.603 1.00 0.00 N ATOM 614 CA SER A 332 1.334 0.776 -15.876 1.00 0.00 C ATOM 615 C SER A 332 1.293 -0.749 -15.764 1.00 0.00 C ATOM 616 O SER A 332 1.574 -1.463 -16.732 1.00 0.00 O ATOM 617 CB SER A 332 0.878 1.227 -17.267 1.00 0.00 C ATOM 618 OG SER A 332 -0.436 0.778 -17.563 1.00 0.00 O ATOM 0 H SER A 332 3.268 1.357 -16.427 1.00 0.00 H new ATOM 0 HA SER A 332 0.651 1.188 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 332 0.912 2.315 -17.326 1.00 0.00 H new ATOM 0 HB3 SER A 332 1.570 0.846 -18.018 1.00 0.00 H new ATOM 0 HG SER A 332 -0.693 1.086 -18.457 1.00 0.00 H new ATOM 624 N GLY A 333 0.955 -1.245 -14.586 1.00 0.00 N ATOM 625 CA GLY A 333 0.838 -2.677 -14.390 1.00 0.00 C ATOM 626 C GLY A 333 1.027 -3.081 -12.944 1.00 0.00 C ATOM 627 O GLY A 333 0.899 -2.249 -12.044 1.00 0.00 O ATOM 0 H GLY A 333 0.759 -0.682 -13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -0.143 -3.008 -14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 333 1.579 -3.187 -15.006 1.00 0.00 H new ATOM 631 N THR A 334 1.327 -4.353 -12.723 1.00 0.00 N ATOM 632 CA THR A 334 1.560 -4.859 -11.383 1.00 0.00 C ATOM 633 C THR A 334 2.927 -4.421 -10.870 1.00 0.00 C ATOM 634 O THR A 334 3.964 -4.883 -11.346 1.00 0.00 O ATOM 635 CB THR A 334 1.456 -6.390 -11.349 1.00 0.00 C ATOM 636 OG1 THR A 334 2.150 -6.953 -12.464 1.00 0.00 O ATOM 637 CG2 THR A 334 -0.001 -6.834 -11.353 1.00 0.00 C ATOM 0 H THR A 334 1.414 -5.054 -13.459 1.00 0.00 H new ATOM 0 HA THR A 334 0.790 -4.443 -10.733 1.00 0.00 H new ATOM 0 HB THR A 334 1.917 -6.747 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 334 3.021 -6.515 -12.563 1.00 0.00 H new ATOM 0 HG21 THR A 334 -0.050 -7.923 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 334 -0.507 -6.428 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 334 -0.490 -6.469 -12.256 1.00 0.00 H new ATOM 645 N TRP A 335 2.908 -3.514 -9.906 1.00 0.00 N ATOM 646 CA TRP A 335 4.124 -2.931 -9.374 1.00 0.00 C ATOM 647 C TRP A 335 4.476 -3.578 -8.027 1.00 0.00 C ATOM 648 O TRP A 335 3.588 -3.943 -7.253 1.00 0.00 O ATOM 649 CB TRP A 335 3.942 -1.418 -9.215 1.00 0.00 C ATOM 650 CG TRP A 335 5.098 -0.727 -8.562 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.331 -0.501 -9.105 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.117 -0.156 -7.253 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.123 0.161 -8.196 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.398 0.386 -7.051 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.174 -0.058 -6.228 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.759 1.021 -5.873 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.534 0.573 -5.049 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.816 1.104 -4.880 1.00 0.00 C ATOM 0 H TRP A 335 2.053 -3.164 -9.474 1.00 0.00 H new ATOM 0 HA TRP A 335 4.945 -3.116 -10.067 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.778 -0.978 -10.199 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.043 -1.231 -8.628 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.637 -0.797 -10.097 1.00 0.00 H new ATOM 0 HE1 TRP A 335 8.092 0.440 -8.348 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.182 -0.467 -6.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.748 1.436 -5.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.814 0.656 -4.248 1.00 0.00 H new ATOM 0 HH2 TRP A 335 6.069 1.589 -3.949 1.00 0.00 H new ATOM 669 N ARG A 336 5.770 -3.715 -7.760 1.00 0.00 N ATOM 670 CA ARG A 336 6.235 -4.322 -6.524 1.00 0.00 C ATOM 671 C ARG A 336 7.152 -3.345 -5.802 1.00 0.00 C ATOM 672 O ARG A 336 8.119 -2.855 -6.380 1.00 0.00 O ATOM 673 CB ARG A 336 7.005 -5.617 -6.805 1.00 0.00 C ATOM 674 CG ARG A 336 6.200 -6.685 -7.526 1.00 0.00 C ATOM 675 CD ARG A 336 7.039 -7.926 -7.786 1.00 0.00 C ATOM 676 NE ARG A 336 6.275 -8.989 -8.436 1.00 0.00 N ATOM 677 CZ ARG A 336 6.781 -10.182 -8.755 1.00 0.00 C ATOM 678 NH1 ARG A 336 8.050 -10.474 -8.474 1.00 0.00 N ATOM 679 NH2 ARG A 336 6.021 -11.091 -9.355 1.00 0.00 N ATOM 0 H ARG A 336 6.516 -3.412 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 336 5.369 -4.559 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.886 -5.379 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 336 7.362 -6.025 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 336 5.328 -6.951 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 336 5.830 -6.289 -8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 336 7.891 -7.660 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 336 7.439 -8.295 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 336 5.296 -8.808 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 336 8.642 -9.784 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 336 8.430 -11.388 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 336 5.048 -10.878 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 336 6.411 -12.002 -9.598 1.00 0.00 H new ATOM 693 N CYS A 337 6.836 -3.043 -4.561 1.00 0.00 N ATOM 694 CA CYS A 337 7.662 -2.137 -3.768 1.00 0.00 C ATOM 695 C CYS A 337 8.968 -2.811 -3.352 1.00 0.00 C ATOM 696 O CYS A 337 9.138 -4.016 -3.558 1.00 0.00 O ATOM 697 CB CYS A 337 6.897 -1.649 -2.539 1.00 0.00 C ATOM 698 SG CYS A 337 6.361 -2.983 -1.421 1.00 0.00 S ATOM 0 H CYS A 337 6.017 -3.407 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 337 7.908 -1.275 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.528 -0.955 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.021 -1.090 -2.868 1.00 0.00 H new ATOM 0 HG CYS A 337 6.258 -4.094 -2.089 1.00 0.00 H new ATOM 703 N SER A 338 9.867 -2.047 -2.750 1.00 0.00 N ATOM 704 CA SER A 338 11.185 -2.557 -2.379 1.00 0.00 C ATOM 705 C SER A 338 11.056 -3.745 -1.433 1.00 0.00 C ATOM 706 O SER A 338 11.759 -4.747 -1.570 1.00 0.00 O ATOM 707 CB SER A 338 11.992 -1.439 -1.723 1.00 0.00 C ATOM 708 OG SER A 338 11.847 -0.227 -2.439 1.00 0.00 O ATOM 0 H SER A 338 9.710 -1.069 -2.506 1.00 0.00 H new ATOM 0 HA SER A 338 11.701 -2.897 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.660 -1.301 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 338 13.045 -1.719 -1.683 1.00 0.00 H new ATOM 0 HG SER A 338 12.646 0.326 -2.312 1.00 0.00 H new ATOM 714 N SER A 339 10.128 -3.634 -0.493 1.00 0.00 N ATOM 715 CA SER A 339 9.843 -4.703 0.456 1.00 0.00 C ATOM 716 C SER A 339 9.542 -6.022 -0.267 1.00 0.00 C ATOM 717 O SER A 339 10.004 -7.085 0.137 1.00 0.00 O ATOM 718 CB SER A 339 8.656 -4.293 1.322 1.00 0.00 C ATOM 719 OG SER A 339 8.758 -2.926 1.684 1.00 0.00 O ATOM 0 H SER A 339 9.552 -2.802 -0.366 1.00 0.00 H new ATOM 0 HA SER A 339 10.721 -4.863 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.726 -4.464 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 339 8.621 -4.912 2.219 1.00 0.00 H new ATOM 0 HG SER A 339 7.989 -2.676 2.238 1.00 0.00 H new ATOM 725 N CYS A 340 8.767 -5.940 -1.349 1.00 0.00 N ATOM 726 CA CYS A 340 8.440 -7.115 -2.152 1.00 0.00 C ATOM 727 C CYS A 340 9.635 -7.576 -2.988 1.00 0.00 C ATOM 728 O CYS A 340 9.867 -8.778 -3.140 1.00 0.00 O ATOM 729 CB CYS A 340 7.253 -6.824 -3.072 1.00 0.00 C ATOM 730 SG CYS A 340 5.729 -6.366 -2.188 1.00 0.00 S ATOM 0 H CYS A 340 8.355 -5.071 -1.688 1.00 0.00 H new ATOM 0 HA CYS A 340 8.175 -7.916 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.523 -6.017 -3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 340 7.056 -7.704 -3.684 1.00 0.00 H new ATOM 0 HG CYS A 340 5.101 -5.444 -2.855 1.00 0.00 H new ATOM 735 N LEU A 341 10.394 -6.621 -3.515 1.00 0.00 N ATOM 736 CA LEU A 341 11.537 -6.924 -4.378 1.00 0.00 C ATOM 737 C LEU A 341 12.583 -7.754 -3.644 1.00 0.00 C ATOM 738 O LEU A 341 13.149 -8.687 -4.205 1.00 0.00 O ATOM 739 CB LEU A 341 12.177 -5.634 -4.901 1.00 0.00 C ATOM 740 CG LEU A 341 11.274 -4.770 -5.785 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.997 -3.495 -6.187 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.833 -5.542 -7.018 1.00 0.00 C ATOM 0 H LEU A 341 10.239 -5.625 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 341 11.164 -7.506 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.502 -5.037 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 341 13.071 -5.895 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 341 10.385 -4.502 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.344 -2.889 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.265 -2.932 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.901 -3.748 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.192 -4.910 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.709 -5.839 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.281 -6.431 -6.713 1.00 0.00 H new