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 311 CYS SG : rot 11:sc= 0.416! USER MOD Set 1.2: A 314 CYS SG : rot 79:sc= 1.39 USER MOD Set 1.3: A 337 CYS SG : rot -68:sc= 0.644 USER MOD Set 1.4: A 340 CYS SG : rot 151:sc= 2.39 USER MOD Set 2.1: A 299 CYS SG : rot 170:sc= -2.59! USER MOD Set 2.2: A 302 CYS SG : rot 180:sc= -0.0237 USER MOD Set 2.3: A 319 HIS : no HD1:sc= -1.24! C(o=-7!,f=-9.7!) USER MOD Set 2.4: A 322 CYS SG : rot 164:sc= -3.17! USER MOD Set 3.1: A 295 ASN :FLIP amide:sc= -0.0561 F(o=-1.3!,f=0.023) USER MOD Set 3.2: A 310 CYS SG : rot 33:sc= 0.0789 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 48:sc= 0.144 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot -133:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -6.242 -2.038 -0.542 1.00 0.00 N ATOM 86 CA ASN A 295 -5.235 -1.088 -0.987 1.00 0.00 C ATOM 87 C ASN A 295 -5.317 0.158 -0.119 1.00 0.00 C ATOM 88 O ASN A 295 -6.362 0.808 -0.058 1.00 0.00 O ATOM 89 CB ASN A 295 -5.434 -0.697 -2.457 1.00 0.00 C ATOM 90 CG ASN A 295 -5.027 -1.776 -3.449 1.00 0.00 C ATOM 91 OD1 ASN A 295 -4.068 -2.613 -3.087 1.00 0.00 O flip ATOM 92 ND2 ASN A 295 -5.573 -1.847 -4.548 1.00 0.00 N flip ATOM 0 HA ASN A 295 -4.256 -1.558 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -6.483 -0.449 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.859 0.206 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -6.309 -1.186 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -5.290 -2.567 -5.213 1.00 0.00 H new ATOM 99 N GLU A 296 -4.231 0.476 0.556 1.00 0.00 N ATOM 100 CA GLU A 296 -4.197 1.622 1.449 1.00 0.00 C ATOM 101 C GLU A 296 -4.328 2.910 0.646 1.00 0.00 C ATOM 102 O GLU A 296 -3.629 3.105 -0.352 1.00 0.00 O ATOM 103 CB GLU A 296 -2.885 1.627 2.236 1.00 0.00 C ATOM 104 CG GLU A 296 -2.930 2.487 3.483 1.00 0.00 C ATOM 105 CD GLU A 296 -3.887 1.946 4.516 1.00 0.00 C ATOM 106 OE1 GLU A 296 -5.106 2.197 4.407 1.00 0.00 O ATOM 107 OE2 GLU A 296 -3.422 1.247 5.446 1.00 0.00 O ATOM 0 H GLU A 296 -3.355 -0.044 0.504 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.031 1.555 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.637 0.604 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -2.084 1.982 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -1.931 2.551 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.226 3.501 3.212 1.00 0.00 H new ATOM 114 N ASP A 297 -5.236 3.779 1.056 1.00 0.00 N ATOM 115 CA ASP A 297 -5.436 5.047 0.360 1.00 0.00 C ATOM 116 C ASP A 297 -4.572 6.156 0.962 1.00 0.00 C ATOM 117 O ASP A 297 -4.922 7.336 0.900 1.00 0.00 O ATOM 118 CB ASP A 297 -6.919 5.445 0.370 1.00 0.00 C ATOM 119 CG ASP A 297 -7.452 5.723 1.760 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.548 4.772 2.563 1.00 0.00 O ATOM 121 OD2 ASP A 297 -7.798 6.887 2.046 1.00 0.00 O ATOM 0 H ASP A 297 -5.845 3.635 1.862 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.124 4.910 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.055 6.332 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -7.506 4.647 -0.084 1.00 0.00 H new ATOM 126 N GLU A 298 -3.428 5.776 1.506 1.00 0.00 N ATOM 127 CA GLU A 298 -2.475 6.736 2.044 1.00 0.00 C ATOM 128 C GLU A 298 -1.052 6.254 1.800 1.00 0.00 C ATOM 129 O GLU A 298 -0.788 5.049 1.777 1.00 0.00 O ATOM 130 CB GLU A 298 -2.695 6.962 3.547 1.00 0.00 C ATOM 131 CG GLU A 298 -2.590 5.696 4.377 1.00 0.00 C ATOM 132 CD GLU A 298 -2.497 5.974 5.868 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.444 6.562 6.429 1.00 0.00 O ATOM 134 OE2 GLU A 298 -1.473 5.609 6.474 1.00 0.00 O ATOM 0 H GLU A 298 -3.134 4.803 1.588 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.632 7.685 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -1.962 7.684 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -3.680 7.404 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -3.459 5.067 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -1.712 5.132 4.062 1.00 0.00 H new ATOM 141 N CYS A 299 -0.145 7.195 1.602 1.00 0.00 N ATOM 142 CA CYS A 299 1.264 6.878 1.451 1.00 0.00 C ATOM 143 C CYS A 299 1.866 6.517 2.801 1.00 0.00 C ATOM 144 O CYS A 299 2.028 7.377 3.664 1.00 0.00 O ATOM 145 CB CYS A 299 2.026 8.053 0.836 1.00 0.00 C ATOM 146 SG CYS A 299 3.822 7.781 0.679 1.00 0.00 S ATOM 0 H CYS A 299 -0.361 8.190 1.542 1.00 0.00 H new ATOM 0 HA CYS A 299 1.351 6.024 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.614 8.261 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.856 8.940 1.446 1.00 0.00 H new ATOM 0 HG CYS A 299 4.343 8.727 -0.045 1.00 0.00 H new ATOM 151 N ALA A 300 2.175 5.236 2.967 1.00 0.00 N ATOM 152 CA ALA A 300 2.777 4.717 4.205 1.00 0.00 C ATOM 153 C ALA A 300 4.119 5.374 4.562 1.00 0.00 C ATOM 154 O ALA A 300 4.754 5.004 5.539 1.00 0.00 O ATOM 155 CB ALA A 300 2.946 3.208 4.101 1.00 0.00 C ATOM 0 H ALA A 300 2.019 4.524 2.254 1.00 0.00 H new ATOM 0 HA ALA A 300 2.090 4.969 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 300 3.392 2.828 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.972 2.742 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 300 3.595 2.972 3.258 1.00 0.00 H new ATOM 161 N VAL A 301 4.552 6.336 3.759 1.00 0.00 N ATOM 162 CA VAL A 301 5.771 7.075 4.045 1.00 0.00 C ATOM 163 C VAL A 301 5.468 8.349 4.831 1.00 0.00 C ATOM 164 O VAL A 301 5.966 8.537 5.945 1.00 0.00 O ATOM 165 CB VAL A 301 6.540 7.438 2.761 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.787 8.252 3.079 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.910 6.183 1.988 1.00 0.00 C ATOM 0 H VAL A 301 4.076 6.622 2.904 1.00 0.00 H new ATOM 0 HA VAL A 301 6.399 6.419 4.648 1.00 0.00 H new ATOM 0 HB VAL A 301 5.886 8.050 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.310 8.494 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.500 9.174 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.445 7.672 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.453 6.459 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.540 5.546 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 301 6.003 5.643 1.716 1.00 0.00 H new ATOM 177 N CYS A 302 4.646 9.220 4.260 1.00 0.00 N ATOM 178 CA CYS A 302 4.380 10.524 4.865 1.00 0.00 C ATOM 179 C CYS A 302 2.917 10.681 5.284 1.00 0.00 C ATOM 180 O CYS A 302 2.497 11.762 5.691 1.00 0.00 O ATOM 181 CB CYS A 302 4.774 11.638 3.893 1.00 0.00 C ATOM 182 SG CYS A 302 4.011 11.481 2.246 1.00 0.00 S ATOM 0 H CYS A 302 4.153 9.051 3.383 1.00 0.00 H new ATOM 0 HA CYS A 302 4.983 10.596 5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.493 12.599 4.323 1.00 0.00 H new ATOM 0 HB3 CYS A 302 5.858 11.644 3.782 1.00 0.00 H new ATOM 0 HG CYS A 302 4.399 12.467 1.492 1.00 0.00 H new ATOM 187 N ARG A 303 2.154 9.592 5.186 1.00 0.00 N ATOM 188 CA ARG A 303 0.728 9.590 5.535 1.00 0.00 C ATOM 189 C ARG A 303 -0.049 10.630 4.741 1.00 0.00 C ATOM 190 O ARG A 303 -0.964 11.272 5.253 1.00 0.00 O ATOM 191 CB ARG A 303 0.529 9.831 7.037 1.00 0.00 C ATOM 192 CG ARG A 303 0.010 8.615 7.777 1.00 0.00 C ATOM 193 CD ARG A 303 0.996 7.463 7.708 1.00 0.00 C ATOM 194 NE ARG A 303 0.444 6.243 8.287 1.00 0.00 N ATOM 195 CZ ARG A 303 0.884 5.695 9.411 1.00 0.00 C ATOM 196 NH1 ARG A 303 1.863 6.274 10.101 1.00 0.00 N ATOM 197 NH2 ARG A 303 0.345 4.571 9.863 1.00 0.00 N ATOM 0 H ARG A 303 2.502 8.689 4.864 1.00 0.00 H new ATOM 0 HA ARG A 303 0.340 8.604 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 303 1.478 10.138 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -0.169 10.657 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -0.177 8.874 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -0.944 8.306 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.270 7.281 6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 303 1.910 7.735 8.236 1.00 0.00 H new ATOM 0 HE ARG A 303 -0.325 5.785 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 303 2.278 7.143 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 303 2.198 5.849 10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -0.412 4.124 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 303 0.687 4.153 10.728 1.00 0.00 H new ATOM 211 N ASP A 304 0.310 10.788 3.481 1.00 0.00 N ATOM 212 CA ASP A 304 -0.331 11.776 2.618 1.00 0.00 C ATOM 213 C ASP A 304 -0.973 11.070 1.430 1.00 0.00 C ATOM 214 O ASP A 304 -0.553 9.969 1.066 1.00 0.00 O ATOM 215 CB ASP A 304 0.712 12.795 2.154 1.00 0.00 C ATOM 216 CG ASP A 304 0.095 14.044 1.564 1.00 0.00 C ATOM 217 OD1 ASP A 304 -0.667 14.727 2.280 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.390 14.367 0.396 1.00 0.00 O ATOM 0 H ASP A 304 1.044 10.245 3.026 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.111 12.305 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.343 13.072 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.360 12.331 1.411 1.00 0.00 H new ATOM 223 N GLY A 305 -1.997 11.681 0.839 1.00 0.00 N ATOM 224 CA GLY A 305 -2.677 11.070 -0.286 1.00 0.00 C ATOM 225 C GLY A 305 -2.375 11.778 -1.585 1.00 0.00 C ATOM 226 O GLY A 305 -1.407 12.529 -1.683 1.00 0.00 O ATOM 0 H GLY A 305 -2.367 12.589 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.378 10.025 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.752 11.082 -0.109 1.00 0.00 H new ATOM 230 N GLY A 306 -3.202 11.549 -2.594 1.00 0.00 N ATOM 231 CA GLY A 306 -2.987 12.163 -3.896 1.00 0.00 C ATOM 232 C GLY A 306 -2.810 11.124 -4.979 1.00 0.00 C ATOM 233 O GLY A 306 -3.527 10.123 -4.989 1.00 0.00 O ATOM 0 H GLY A 306 -4.023 10.947 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -3.834 12.804 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.105 12.802 -3.856 1.00 0.00 H new ATOM 237 N GLU A 307 -1.856 11.346 -5.880 1.00 0.00 N ATOM 238 CA GLU A 307 -1.565 10.380 -6.934 1.00 0.00 C ATOM 239 C GLU A 307 -0.740 9.227 -6.361 1.00 0.00 C ATOM 240 O GLU A 307 0.481 9.157 -6.517 1.00 0.00 O ATOM 241 CB GLU A 307 -0.855 11.057 -8.119 1.00 0.00 C ATOM 242 CG GLU A 307 0.411 11.818 -7.752 1.00 0.00 C ATOM 243 CD GLU A 307 0.976 12.607 -8.910 1.00 0.00 C ATOM 244 OE1 GLU A 307 1.671 12.017 -9.766 1.00 0.00 O ATOM 245 OE2 GLU A 307 0.728 13.832 -8.976 1.00 0.00 O ATOM 0 H GLU A 307 -1.274 12.183 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.501 9.973 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 307 -0.604 10.296 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -1.551 11.746 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 307 0.195 12.497 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 307 1.163 11.113 -7.397 1.00 0.00 H new ATOM 252 N LEU A 308 -1.430 8.333 -5.674 1.00 0.00 N ATOM 253 CA LEU A 308 -0.788 7.238 -4.965 1.00 0.00 C ATOM 254 C LEU A 308 -0.647 6.015 -5.853 1.00 0.00 C ATOM 255 O LEU A 308 -1.412 5.823 -6.805 1.00 0.00 O ATOM 256 CB LEU A 308 -1.591 6.872 -3.716 1.00 0.00 C ATOM 257 CG LEU A 308 -1.668 7.962 -2.653 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.606 7.536 -1.547 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.287 8.261 -2.091 1.00 0.00 C ATOM 0 H LEU A 308 -2.447 8.345 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 308 0.208 7.571 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.605 6.610 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.151 5.981 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 308 -2.053 8.872 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.656 8.319 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.600 7.365 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.238 6.616 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.363 9.041 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.126 7.358 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.368 8.598 -2.895 1.00 0.00 H new ATOM 271 N ILE A 309 0.339 5.198 -5.544 1.00 0.00 N ATOM 272 CA ILE A 309 0.525 3.939 -6.231 1.00 0.00 C ATOM 273 C ILE A 309 0.551 2.803 -5.209 1.00 0.00 C ATOM 274 O ILE A 309 1.378 2.793 -4.298 1.00 0.00 O ATOM 275 CB ILE A 309 1.812 3.947 -7.092 1.00 0.00 C ATOM 276 CG1 ILE A 309 2.009 2.591 -7.778 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.036 4.318 -6.262 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.185 2.562 -8.723 1.00 0.00 C ATOM 0 H ILE A 309 1.028 5.387 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.311 3.785 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 309 1.694 4.710 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.146 1.823 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.104 2.336 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.921 4.314 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.899 5.312 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.163 3.593 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.266 1.573 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.041 3.306 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.099 2.786 -8.173 1.00 0.00 H new ATOM 290 N CYS A 310 -0.392 1.880 -5.323 1.00 0.00 N ATOM 291 CA CYS A 310 -0.487 0.769 -4.386 1.00 0.00 C ATOM 292 C CYS A 310 0.164 -0.477 -4.972 1.00 0.00 C ATOM 293 O CYS A 310 -0.015 -0.786 -6.155 1.00 0.00 O ATOM 294 CB CYS A 310 -1.955 0.504 -4.040 1.00 0.00 C ATOM 295 SG CYS A 310 -3.054 0.400 -5.479 1.00 0.00 S ATOM 0 H CYS A 310 -1.103 1.878 -6.055 1.00 0.00 H new ATOM 0 HA CYS A 310 0.045 1.030 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.021 -0.428 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.310 1.298 -3.383 1.00 0.00 H new ATOM 0 HG CYS A 310 -2.409 -0.121 -6.481 1.00 0.00 H new ATOM 301 N CYS A 311 0.952 -1.155 -4.152 1.00 0.00 N ATOM 302 CA CYS A 311 1.691 -2.332 -4.585 1.00 0.00 C ATOM 303 C CYS A 311 0.775 -3.520 -4.903 1.00 0.00 C ATOM 304 O CYS A 311 -0.310 -3.669 -4.336 1.00 0.00 O ATOM 305 CB CYS A 311 2.702 -2.711 -3.510 1.00 0.00 C ATOM 306 SG CYS A 311 3.698 -4.184 -3.900 1.00 0.00 S ATOM 0 H CYS A 311 1.097 -0.907 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 311 2.206 -2.081 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 311 3.372 -1.867 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 311 2.171 -2.884 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 311 3.517 -4.513 -5.144 1.00 0.00 H new ATOM 311 N ASP A 312 1.259 -4.356 -5.820 1.00 0.00 N ATOM 312 CA ASP A 312 0.563 -5.563 -6.259 1.00 0.00 C ATOM 313 C ASP A 312 0.618 -6.658 -5.189 1.00 0.00 C ATOM 314 O ASP A 312 -0.257 -7.521 -5.124 1.00 0.00 O ATOM 315 CB ASP A 312 1.187 -6.051 -7.581 1.00 0.00 C ATOM 316 CG ASP A 312 1.122 -7.558 -7.779 1.00 0.00 C ATOM 317 OD1 ASP A 312 0.055 -8.076 -8.164 1.00 0.00 O ATOM 318 OD2 ASP A 312 2.158 -8.227 -7.576 1.00 0.00 O ATOM 0 H ASP A 312 2.156 -4.212 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.489 -5.328 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 312 0.678 -5.564 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 312 2.230 -5.735 -7.617 1.00 0.00 H new ATOM 323 N GLY A 313 1.624 -6.584 -4.339 1.00 0.00 N ATOM 324 CA GLY A 313 1.808 -7.602 -3.315 1.00 0.00 C ATOM 325 C GLY A 313 1.496 -7.084 -1.921 1.00 0.00 C ATOM 326 O GLY A 313 0.993 -7.816 -1.068 1.00 0.00 O ATOM 0 H GLY A 313 2.321 -5.839 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.166 -8.455 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.837 -7.961 -3.344 1.00 0.00 H new ATOM 330 N CYS A 314 1.784 -5.814 -1.700 1.00 0.00 N ATOM 331 CA CYS A 314 1.546 -5.187 -0.411 1.00 0.00 C ATOM 332 C CYS A 314 0.495 -4.094 -0.553 1.00 0.00 C ATOM 333 O CYS A 314 0.576 -3.267 -1.461 1.00 0.00 O ATOM 334 CB CYS A 314 2.844 -4.604 0.157 1.00 0.00 C ATOM 335 SG CYS A 314 4.149 -5.840 0.455 1.00 0.00 S ATOM 0 H CYS A 314 2.186 -5.192 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 314 1.181 -5.945 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 314 3.223 -3.850 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.621 -4.094 1.094 1.00 0.00 H new ATOM 0 HG CYS A 314 4.733 -6.134 -0.669 1.00 0.00 H new ATOM 340 N PRO A 315 -0.503 -4.076 0.345 1.00 0.00 N ATOM 341 CA PRO A 315 -1.601 -3.099 0.303 1.00 0.00 C ATOM 342 C PRO A 315 -1.123 -1.660 0.501 1.00 0.00 C ATOM 343 O PRO A 315 -1.860 -0.715 0.246 1.00 0.00 O ATOM 344 CB PRO A 315 -2.509 -3.521 1.467 1.00 0.00 C ATOM 345 CG PRO A 315 -1.639 -4.328 2.363 1.00 0.00 C ATOM 346 CD PRO A 315 -0.655 -5.019 1.466 1.00 0.00 C ATOM 0 HA PRO A 315 -2.097 -3.101 -0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.913 -2.652 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.359 -4.104 1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.129 -3.693 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.226 -5.051 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 315 0.293 -5.200 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -1.027 -5.987 1.130 1.00 0.00 H new ATOM 354 N ARG A 316 0.112 -1.514 0.955 1.00 0.00 N ATOM 355 CA ARG A 316 0.689 -0.197 1.208 1.00 0.00 C ATOM 356 C ARG A 316 0.792 0.621 -0.075 1.00 0.00 C ATOM 357 O ARG A 316 1.233 0.121 -1.117 1.00 0.00 O ATOM 358 CB ARG A 316 2.075 -0.318 1.849 1.00 0.00 C ATOM 359 CG ARG A 316 2.083 -1.034 3.184 1.00 0.00 C ATOM 360 CD ARG A 316 3.440 -0.926 3.862 1.00 0.00 C ATOM 361 NE ARG A 316 4.524 -1.392 2.998 1.00 0.00 N ATOM 362 CZ ARG A 316 5.405 -2.328 3.352 1.00 0.00 C ATOM 363 NH1 ARG A 316 5.328 -2.908 4.543 1.00 0.00 N ATOM 364 NH2 ARG A 316 6.374 -2.666 2.507 1.00 0.00 N ATOM 0 H ARG A 316 0.739 -2.293 1.157 1.00 0.00 H new ATOM 0 HA ARG A 316 0.021 0.318 1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.735 -0.847 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 316 2.489 0.681 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 316 1.316 -0.609 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 316 1.830 -2.084 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.622 0.111 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 316 3.433 -1.511 4.782 1.00 0.00 H new ATOM 0 HE ARG A 316 4.611 -0.977 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 316 4.591 -2.639 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 316 6.006 -3.623 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 316 6.439 -2.210 1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 316 7.053 -3.381 2.769 1.00 0.00 H new ATOM 378 N ALA A 317 0.369 1.875 0.009 1.00 0.00 N ATOM 379 CA ALA A 317 0.509 2.804 -1.098 1.00 0.00 C ATOM 380 C ALA A 317 1.636 3.785 -0.808 1.00 0.00 C ATOM 381 O ALA A 317 1.995 4.006 0.345 1.00 0.00 O ATOM 382 CB ALA A 317 -0.791 3.546 -1.351 1.00 0.00 C ATOM 0 H ALA A 317 -0.075 2.271 0.837 1.00 0.00 H new ATOM 0 HA ALA A 317 0.752 2.239 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.660 4.236 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.577 2.831 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -1.070 4.105 -0.458 1.00 0.00 H new ATOM 388 N PHE A 318 2.183 4.364 -1.871 1.00 0.00 N ATOM 389 CA PHE A 318 3.324 5.263 -1.752 1.00 0.00 C ATOM 390 C PHE A 318 3.243 6.378 -2.786 1.00 0.00 C ATOM 391 O PHE A 318 2.490 6.286 -3.758 1.00 0.00 O ATOM 392 CB PHE A 318 4.634 4.490 -1.946 1.00 0.00 C ATOM 393 CG PHE A 318 4.839 3.364 -0.973 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.242 3.619 0.323 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.622 2.052 -1.357 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.432 2.585 1.225 1.00 0.00 C ATOM 397 CE2 PHE A 318 4.809 1.015 -0.467 1.00 0.00 C ATOM 398 CZ PHE A 318 5.210 1.283 0.823 1.00 0.00 C ATOM 0 H PHE A 318 1.854 4.226 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 318 3.303 5.700 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.658 4.088 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.469 5.186 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.411 4.638 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.302 1.838 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 318 5.751 2.796 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.641 -0.005 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.351 0.472 1.522 1.00 0.00 H new ATOM 408 N HIS A 319 4.011 7.439 -2.559 1.00 0.00 N ATOM 409 CA HIS A 319 4.175 8.502 -3.537 1.00 0.00 C ATOM 410 C HIS A 319 5.397 8.226 -4.395 1.00 0.00 C ATOM 411 O HIS A 319 6.352 7.595 -3.926 1.00 0.00 O ATOM 412 CB HIS A 319 4.332 9.873 -2.870 1.00 0.00 C ATOM 413 CG HIS A 319 3.064 10.460 -2.342 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.848 10.606 -1.001 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.997 10.950 -3.012 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.667 11.179 -0.886 1.00 0.00 C ATOM 417 NE2 HIS A 319 1.111 11.404 -2.071 1.00 0.00 N ATOM 0 H HIS A 319 4.534 7.583 -1.695 1.00 0.00 H new ATOM 0 HA HIS A 319 3.275 8.523 -4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 319 5.044 9.783 -2.049 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.764 10.566 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.868 10.978 -4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.207 11.435 0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 319 0.202 11.831 -2.246 1.00 0.00 H new ATOM 425 N LEU A 320 5.376 8.713 -5.621 1.00 0.00 N ATOM 426 CA LEU A 320 6.425 8.422 -6.594 1.00 0.00 C ATOM 427 C LEU A 320 7.816 8.747 -6.053 1.00 0.00 C ATOM 428 O LEU A 320 8.681 7.867 -5.988 1.00 0.00 O ATOM 429 CB LEU A 320 6.166 9.197 -7.885 1.00 0.00 C ATOM 430 CG LEU A 320 4.849 8.858 -8.587 1.00 0.00 C ATOM 431 CD1 LEU A 320 4.700 9.684 -9.856 1.00 0.00 C ATOM 432 CD2 LEU A 320 4.785 7.370 -8.896 1.00 0.00 C ATOM 0 H LEU A 320 4.636 9.320 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 320 6.399 7.352 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 320 6.177 10.263 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.988 9.009 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 320 4.021 9.104 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 320 3.759 9.433 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 320 4.706 10.744 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 320 5.529 9.468 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 320 3.843 7.142 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 320 5.616 7.097 -9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 320 4.850 6.802 -7.968 1.00 0.00 H new ATOM 444 N ALA A 321 8.019 9.988 -5.627 1.00 0.00 N ATOM 445 CA ALA A 321 9.328 10.429 -5.161 1.00 0.00 C ATOM 446 C ALA A 321 9.638 9.884 -3.764 1.00 0.00 C ATOM 447 O ALA A 321 10.788 9.884 -3.333 1.00 0.00 O ATOM 448 CB ALA A 321 9.405 11.949 -5.167 1.00 0.00 C ATOM 0 H ALA A 321 7.295 10.706 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 321 10.078 10.033 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.388 12.265 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 321 9.245 12.317 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.637 12.355 -4.508 1.00 0.00 H new ATOM 454 N CYS A 322 8.611 9.418 -3.066 1.00 0.00 N ATOM 455 CA CYS A 322 8.797 8.847 -1.743 1.00 0.00 C ATOM 456 C CYS A 322 9.386 7.444 -1.833 1.00 0.00 C ATOM 457 O CYS A 322 9.944 6.934 -0.856 1.00 0.00 O ATOM 458 CB CYS A 322 7.477 8.827 -0.972 1.00 0.00 C ATOM 459 SG CYS A 322 6.805 10.488 -0.633 1.00 0.00 S ATOM 0 H CYS A 322 7.645 9.425 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 322 9.502 9.477 -1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.743 8.256 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.626 8.304 -0.027 1.00 0.00 H new ATOM 0 HG CYS A 322 5.554 10.389 -0.294 1.00 0.00 H new ATOM 464 N LEU A 323 9.247 6.814 -2.991 1.00 0.00 N ATOM 465 CA LEU A 323 9.880 5.525 -3.248 1.00 0.00 C ATOM 466 C LEU A 323 11.399 5.624 -3.165 1.00 0.00 C ATOM 467 O LEU A 323 11.977 6.693 -3.367 1.00 0.00 O ATOM 468 CB LEU A 323 9.496 4.987 -4.620 1.00 0.00 C ATOM 469 CG LEU A 323 8.465 3.859 -4.630 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.933 2.695 -3.773 1.00 0.00 C ATOM 471 CD2 LEU A 323 7.113 4.368 -4.168 1.00 0.00 C ATOM 0 H LEU A 323 8.699 7.175 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 323 9.523 4.841 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 323 9.109 5.812 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 323 10.400 4.632 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 323 8.358 3.499 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.184 1.903 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 323 9.876 2.313 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 323 9.075 3.033 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 323 6.392 3.550 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 323 7.199 4.759 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 323 6.775 5.161 -4.835 1.00 0.00 H new ATOM 483 N SER A 324 12.035 4.508 -2.852 1.00 0.00 N ATOM 484 CA SER A 324 13.481 4.404 -2.902 1.00 0.00 C ATOM 485 C SER A 324 13.861 3.094 -3.597 1.00 0.00 C ATOM 486 O SER A 324 13.694 2.020 -3.024 1.00 0.00 O ATOM 487 CB SER A 324 14.060 4.456 -1.483 1.00 0.00 C ATOM 488 OG SER A 324 15.476 4.363 -1.496 1.00 0.00 O ATOM 0 H SER A 324 11.565 3.652 -2.557 1.00 0.00 H new ATOM 0 HA SER A 324 13.895 5.240 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 324 13.760 5.386 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.646 3.641 -0.890 1.00 0.00 H new ATOM 0 HG SER A 324 15.815 4.401 -0.577 1.00 0.00 H new ATOM 494 N PRO A 325 14.363 3.152 -4.848 1.00 0.00 N ATOM 495 CA PRO A 325 14.618 4.407 -5.565 1.00 0.00 C ATOM 496 C PRO A 325 13.335 5.093 -6.036 1.00 0.00 C ATOM 497 O PRO A 325 12.353 4.429 -6.373 1.00 0.00 O ATOM 498 CB PRO A 325 15.456 3.952 -6.757 1.00 0.00 C ATOM 499 CG PRO A 325 15.045 2.542 -6.999 1.00 0.00 C ATOM 500 CD PRO A 325 14.715 1.967 -5.648 1.00 0.00 C ATOM 0 HA PRO A 325 15.106 5.149 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.268 4.574 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.522 4.021 -6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.182 2.496 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 325 15.846 1.979 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 325 13.887 1.260 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.563 1.432 -5.221 1.00 0.00 H new ATOM 508 N PRO A 326 13.337 6.439 -6.061 1.00 0.00 N ATOM 509 CA PRO A 326 12.149 7.238 -6.399 1.00 0.00 C ATOM 510 C PRO A 326 11.714 7.075 -7.849 1.00 0.00 C ATOM 511 O PRO A 326 12.542 7.063 -8.761 1.00 0.00 O ATOM 512 CB PRO A 326 12.593 8.678 -6.129 1.00 0.00 C ATOM 513 CG PRO A 326 14.078 8.646 -6.250 1.00 0.00 C ATOM 514 CD PRO A 326 14.505 7.289 -5.763 1.00 0.00 C ATOM 0 HA PRO A 326 11.282 6.928 -5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.152 9.369 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.284 9.008 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.389 8.805 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.535 9.436 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.399 6.939 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.735 7.298 -4.698 1.00 0.00 H new ATOM 522 N LEU A 327 10.413 6.951 -8.050 1.00 0.00 N ATOM 523 CA LEU A 327 9.849 6.815 -9.380 1.00 0.00 C ATOM 524 C LEU A 327 9.579 8.188 -9.986 1.00 0.00 C ATOM 525 O LEU A 327 9.105 9.099 -9.305 1.00 0.00 O ATOM 526 CB LEU A 327 8.548 6.013 -9.313 1.00 0.00 C ATOM 527 CG LEU A 327 8.677 4.602 -8.743 1.00 0.00 C ATOM 528 CD1 LEU A 327 7.305 3.965 -8.586 1.00 0.00 C ATOM 529 CD2 LEU A 327 9.566 3.746 -9.627 1.00 0.00 C ATOM 0 H LEU A 327 9.722 6.942 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 327 10.565 6.288 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.830 6.567 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.131 5.944 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 327 9.140 4.670 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 327 7.415 2.960 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 327 6.700 4.567 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 327 6.816 3.911 -9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.645 2.745 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 327 9.134 3.684 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 327 10.558 4.193 -9.687 1.00 0.00 H new ATOM 541 N ARG A 328 9.891 8.326 -11.263 1.00 0.00 N ATOM 542 CA ARG A 328 9.674 9.578 -11.981 1.00 0.00 C ATOM 543 C ARG A 328 8.205 9.721 -12.372 1.00 0.00 C ATOM 544 O ARG A 328 7.655 10.819 -12.373 1.00 0.00 O ATOM 545 CB ARG A 328 10.564 9.645 -13.224 1.00 0.00 C ATOM 546 CG ARG A 328 10.254 8.575 -14.259 1.00 0.00 C ATOM 547 CD ARG A 328 11.235 8.614 -15.416 1.00 0.00 C ATOM 548 NE ARG A 328 12.588 8.255 -15.004 1.00 0.00 N ATOM 549 CZ ARG A 328 13.673 8.519 -15.726 1.00 0.00 C ATOM 550 NH1 ARG A 328 13.554 9.172 -16.883 1.00 0.00 N ATOM 551 NH2 ARG A 328 14.868 8.147 -15.292 1.00 0.00 N ATOM 0 H ARG A 328 10.298 7.583 -11.831 1.00 0.00 H new ATOM 0 HA ARG A 328 9.940 10.403 -11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 328 10.454 10.626 -13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 328 11.606 9.551 -12.919 1.00 0.00 H new ATOM 0 HG2 ARG A 328 10.286 7.593 -13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 328 9.241 8.715 -14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 328 10.901 7.930 -16.196 1.00 0.00 H new ATOM 0 HD3 ARG A 328 11.242 9.614 -15.850 1.00 0.00 H new ATOM 0 HE ARG A 328 12.708 7.775 -14.112 1.00 0.00 H new ATOM 0 HH11 ARG A 328 12.634 9.466 -17.210 1.00 0.00 H new ATOM 0 HH12 ARG A 328 14.383 9.377 -17.441 1.00 0.00 H new ATOM 0 HH21 ARG A 328 14.958 7.657 -14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 328 15.699 8.351 -15.848 1.00 0.00 H new ATOM 565 N GLU A 329 7.582 8.607 -12.726 1.00 0.00 N ATOM 566 CA GLU A 329 6.172 8.593 -13.075 1.00 0.00 C ATOM 567 C GLU A 329 5.516 7.329 -12.534 1.00 0.00 C ATOM 568 O GLU A 329 6.205 6.433 -12.040 1.00 0.00 O ATOM 569 CB GLU A 329 5.991 8.676 -14.595 1.00 0.00 C ATOM 570 CG GLU A 329 6.583 7.503 -15.354 1.00 0.00 C ATOM 571 CD GLU A 329 6.367 7.620 -16.850 1.00 0.00 C ATOM 572 OE1 GLU A 329 5.222 7.422 -17.305 1.00 0.00 O ATOM 573 OE2 GLU A 329 7.338 7.928 -17.568 1.00 0.00 O ATOM 0 H GLU A 329 8.036 7.695 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 329 5.693 9.463 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 329 4.927 8.741 -14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.450 9.597 -14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 329 7.651 7.441 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 329 6.134 6.577 -14.995 1.00 0.00 H new ATOM 580 N ILE A 330 4.193 7.265 -12.619 1.00 0.00 N ATOM 581 CA ILE A 330 3.461 6.068 -12.218 1.00 0.00 C ATOM 582 C ILE A 330 3.627 4.973 -13.269 1.00 0.00 C ATOM 583 O ILE A 330 3.112 5.092 -14.384 1.00 0.00 O ATOM 584 CB ILE A 330 1.957 6.355 -12.013 1.00 0.00 C ATOM 585 CG1 ILE A 330 1.758 7.475 -10.990 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.227 5.094 -11.574 1.00 0.00 C ATOM 587 CD1 ILE A 330 0.308 7.841 -10.757 1.00 0.00 C ATOM 0 H ILE A 330 3.605 8.025 -12.961 1.00 0.00 H new ATOM 0 HA ILE A 330 3.877 5.737 -11.267 1.00 0.00 H new ATOM 0 HB ILE A 330 1.537 6.681 -12.965 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.203 7.172 -10.042 1.00 0.00 H new ATOM 0 HG13 ILE A 330 2.297 8.361 -11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.169 5.316 -11.435 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.339 4.324 -12.338 1.00 0.00 H new ATOM 0 HG23 ILE A 330 1.650 4.737 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.249 8.642 -10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.138 8.176 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -0.233 6.969 -10.390 1.00 0.00 H new ATOM 599 N PRO A 331 4.361 3.900 -12.933 1.00 0.00 N ATOM 600 CA PRO A 331 4.619 2.801 -13.866 1.00 0.00 C ATOM 601 C PRO A 331 3.367 1.977 -14.146 1.00 0.00 C ATOM 602 O PRO A 331 2.502 1.813 -13.286 1.00 0.00 O ATOM 603 CB PRO A 331 5.667 1.951 -13.137 1.00 0.00 C ATOM 604 CG PRO A 331 5.468 2.252 -11.695 1.00 0.00 C ATOM 605 CD PRO A 331 4.986 3.674 -11.617 1.00 0.00 C ATOM 0 HA PRO A 331 4.948 3.162 -14.840 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.527 0.890 -13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.677 2.207 -13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.740 1.571 -11.254 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.398 2.127 -11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.272 3.811 -10.805 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.808 4.367 -11.439 1.00 0.00 H new ATOM 613 N SER A 332 3.282 1.459 -15.360 1.00 0.00 N ATOM 614 CA SER A 332 2.130 0.685 -15.775 1.00 0.00 C ATOM 615 C SER A 332 2.442 -0.805 -15.703 1.00 0.00 C ATOM 616 O SER A 332 3.413 -1.274 -16.300 1.00 0.00 O ATOM 617 CB SER A 332 1.713 1.078 -17.197 1.00 0.00 C ATOM 618 OG SER A 332 0.472 0.487 -17.552 1.00 0.00 O ATOM 0 H SER A 332 4.001 1.563 -16.076 1.00 0.00 H new ATOM 0 HA SER A 332 1.302 0.898 -15.099 1.00 0.00 H new ATOM 0 HB2 SER A 332 1.635 2.163 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 332 2.482 0.766 -17.903 1.00 0.00 H new ATOM 0 HG SER A 332 0.230 0.756 -18.463 1.00 0.00 H new ATOM 624 N GLY A 333 1.629 -1.533 -14.955 1.00 0.00 N ATOM 625 CA GLY A 333 1.815 -2.963 -14.819 1.00 0.00 C ATOM 626 C GLY A 333 1.693 -3.421 -13.390 1.00 0.00 C ATOM 627 O GLY A 333 0.986 -2.805 -12.590 1.00 0.00 O ATOM 0 H GLY A 333 0.837 -1.156 -14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 333 1.077 -3.483 -15.429 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.797 -3.238 -15.204 1.00 0.00 H new ATOM 631 N THR A 334 2.391 -4.492 -13.058 1.00 0.00 N ATOM 632 CA THR A 334 2.368 -5.018 -11.708 1.00 0.00 C ATOM 633 C THR A 334 3.551 -4.481 -10.903 1.00 0.00 C ATOM 634 O THR A 334 4.672 -4.981 -11.005 1.00 0.00 O ATOM 635 CB THR A 334 2.379 -6.558 -11.707 1.00 0.00 C ATOM 636 OG1 THR A 334 3.378 -7.050 -12.606 1.00 0.00 O ATOM 637 CG2 THR A 334 1.021 -7.113 -12.098 1.00 0.00 C ATOM 0 H THR A 334 2.981 -5.014 -13.706 1.00 0.00 H new ATOM 0 HA THR A 334 1.442 -4.686 -11.238 1.00 0.00 H new ATOM 0 HB THR A 334 2.611 -6.890 -10.695 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.224 -6.583 -12.443 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.057 -8.202 -12.089 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.269 -6.769 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 334 0.761 -6.767 -13.098 1.00 0.00 H new ATOM 645 N TRP A 335 3.290 -3.444 -10.128 1.00 0.00 N ATOM 646 CA TRP A 335 4.338 -2.790 -9.366 1.00 0.00 C ATOM 647 C TRP A 335 4.485 -3.452 -8.000 1.00 0.00 C ATOM 648 O TRP A 335 3.496 -3.660 -7.293 1.00 0.00 O ATOM 649 CB TRP A 335 4.038 -1.299 -9.198 1.00 0.00 C ATOM 650 CG TRP A 335 5.105 -0.573 -8.437 1.00 0.00 C ATOM 651 CD1 TRP A 335 6.324 -0.181 -8.911 1.00 0.00 C ATOM 652 CD2 TRP A 335 5.057 -0.165 -7.064 1.00 0.00 C ATOM 653 NE1 TRP A 335 7.033 0.447 -7.922 1.00 0.00 N ATOM 654 CE2 TRP A 335 6.276 0.474 -6.776 1.00 0.00 C ATOM 655 CE3 TRP A 335 4.097 -0.270 -6.059 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.560 0.993 -5.522 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.382 0.247 -4.812 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.603 0.877 -4.555 1.00 0.00 C ATOM 0 H TRP A 335 2.362 -3.037 -10.010 1.00 0.00 H new ATOM 0 HA TRP A 335 5.275 -2.892 -9.914 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.926 -0.843 -10.182 1.00 0.00 H new ATOM 0 HB3 TRP A 335 3.086 -1.181 -8.681 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.677 -0.343 -9.919 1.00 0.00 H new ATOM 0 HE1 TRP A 335 7.972 0.833 -8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 335 3.148 -0.747 -6.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.506 1.473 -5.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.650 0.164 -4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.793 1.280 -3.571 1.00 0.00 H new ATOM 669 N ARG A 336 5.714 -3.778 -7.634 1.00 0.00 N ATOM 670 CA ARG A 336 5.981 -4.451 -6.378 1.00 0.00 C ATOM 671 C ARG A 336 7.010 -3.662 -5.573 1.00 0.00 C ATOM 672 O ARG A 336 8.091 -3.349 -6.062 1.00 0.00 O ATOM 673 CB ARG A 336 6.448 -5.891 -6.627 1.00 0.00 C ATOM 674 CG ARG A 336 5.327 -6.786 -7.133 1.00 0.00 C ATOM 675 CD ARG A 336 5.782 -8.221 -7.338 1.00 0.00 C ATOM 676 NE ARG A 336 4.645 -9.115 -7.571 1.00 0.00 N ATOM 677 CZ ARG A 336 4.750 -10.425 -7.785 1.00 0.00 C ATOM 678 NH1 ARG A 336 5.945 -10.997 -7.865 1.00 0.00 N ATOM 679 NH2 ARG A 336 3.654 -11.155 -7.931 1.00 0.00 N ATOM 0 H ARG A 336 6.545 -3.585 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 336 5.060 -4.500 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 336 7.261 -5.886 -7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 336 6.850 -6.305 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 336 4.501 -6.767 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 336 4.946 -6.390 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 336 6.465 -8.270 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 336 6.337 -8.557 -6.462 1.00 0.00 H new ATOM 0 HE ARG A 336 3.710 -8.707 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 336 6.788 -10.433 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 336 6.020 -12.001 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 336 2.736 -10.713 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 336 3.728 -12.159 -8.095 1.00 0.00 H new ATOM 693 N CYS A 337 6.647 -3.329 -4.344 1.00 0.00 N ATOM 694 CA CYS A 337 7.488 -2.503 -3.490 1.00 0.00 C ATOM 695 C CYS A 337 8.703 -3.277 -2.981 1.00 0.00 C ATOM 696 O CYS A 337 8.867 -4.458 -3.297 1.00 0.00 O ATOM 697 CB CYS A 337 6.672 -1.957 -2.319 1.00 0.00 C ATOM 698 SG CYS A 337 5.903 -3.246 -1.287 1.00 0.00 S ATOM 0 H CYS A 337 5.770 -3.620 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 337 7.856 -1.669 -4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.320 -1.343 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.891 -1.303 -2.707 1.00 0.00 H new ATOM 0 HG CYS A 337 4.973 -3.848 -1.967 1.00 0.00 H new ATOM 703 N SER A 338 9.521 -2.625 -2.166 1.00 0.00 N ATOM 704 CA SER A 338 10.789 -3.195 -1.726 1.00 0.00 C ATOM 705 C SER A 338 10.586 -4.509 -0.972 1.00 0.00 C ATOM 706 O SER A 338 11.317 -5.470 -1.194 1.00 0.00 O ATOM 707 CB SER A 338 11.516 -2.186 -0.840 1.00 0.00 C ATOM 708 OG SER A 338 11.566 -0.913 -1.471 1.00 0.00 O ATOM 0 H SER A 338 9.328 -1.695 -1.794 1.00 0.00 H new ATOM 0 HA SER A 338 11.391 -3.414 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.006 -2.103 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 338 12.527 -2.536 -0.634 1.00 0.00 H new ATOM 0 HG SER A 338 12.034 -0.278 -0.889 1.00 0.00 H new ATOM 714 N SER A 339 9.579 -4.553 -0.109 1.00 0.00 N ATOM 715 CA SER A 339 9.268 -5.764 0.639 1.00 0.00 C ATOM 716 C SER A 339 8.966 -6.943 -0.293 1.00 0.00 C ATOM 717 O SER A 339 9.341 -8.081 -0.004 1.00 0.00 O ATOM 718 CB SER A 339 8.100 -5.505 1.587 1.00 0.00 C ATOM 719 OG SER A 339 8.406 -4.435 2.464 1.00 0.00 O ATOM 0 H SER A 339 8.964 -3.764 0.090 1.00 0.00 H new ATOM 0 HA SER A 339 10.146 -6.036 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.203 -5.269 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.883 -6.405 2.162 1.00 0.00 H new ATOM 0 HG SER A 339 8.173 -4.687 3.382 1.00 0.00 H new ATOM 725 N CYS A 340 8.300 -6.667 -1.407 1.00 0.00 N ATOM 726 CA CYS A 340 8.032 -7.695 -2.401 1.00 0.00 C ATOM 727 C CYS A 340 9.307 -8.065 -3.158 1.00 0.00 C ATOM 728 O CYS A 340 9.584 -9.241 -3.382 1.00 0.00 O ATOM 729 CB CYS A 340 6.966 -7.219 -3.393 1.00 0.00 C ATOM 730 SG CYS A 340 5.362 -6.837 -2.621 1.00 0.00 S ATOM 0 H CYS A 340 7.937 -5.743 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 340 7.665 -8.578 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.332 -6.330 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.820 -7.988 -4.151 1.00 0.00 H new ATOM 0 HG CYS A 340 4.759 -5.912 -3.308 1.00 0.00 H new ATOM 735 N LEU A 341 10.089 -7.057 -3.524 1.00 0.00 N ATOM 736 CA LEU A 341 11.342 -7.278 -4.247 1.00 0.00 C ATOM 737 C LEU A 341 12.328 -8.057 -3.379 1.00 0.00 C ATOM 738 O LEU A 341 13.118 -8.856 -3.878 1.00 0.00 O ATOM 739 CB LEU A 341 11.956 -5.941 -4.663 1.00 0.00 C ATOM 740 CG LEU A 341 11.090 -5.088 -5.588 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.764 -3.755 -5.876 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.805 -5.832 -6.884 1.00 0.00 C ATOM 0 H LEU A 341 9.880 -6.077 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 341 11.126 -7.862 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.176 -5.365 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 341 12.907 -6.135 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 341 10.143 -4.891 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.131 -3.162 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 341 11.918 -3.216 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.726 -3.930 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.187 -5.211 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.745 -6.059 -7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 341 10.279 -6.761 -6.662 1.00 0.00 H new