USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 333 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 302 ASN : amide:sc= -1.12 K(o=-0.99,f=-3.7!) USER MOD Set 1.2: A 303 ASN : amide:sc= 0.132 K(o=-0.99,f=-4.1) USER MOD Single : A 290 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 291 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.303 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -7.28! C(o=-12!,f=-7.3!) USER MOD Single : A 305 THR OG1 : rot 62:sc= 0.853 USER MOD Single : A 306 THR OG1 : rot 43:sc= 0.147 USER MOD Single : A 307 GLN :FLIP amide:sc= -0.183 F(o=-1.4,f=-0.18) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.573 5.647 4.548 1.00 15.00 N ATOM 44 CA LEU A 282 -8.120 5.605 4.571 1.00 15.00 C ATOM 45 C LEU A 282 -7.601 6.157 5.893 1.00 15.00 C ATOM 46 O LEU A 282 -7.606 7.367 6.117 1.00 15.00 O ATOM 47 CB LEU A 282 -7.524 6.397 3.403 1.00 15.00 C ATOM 48 CG LEU A 282 -6.016 6.222 3.205 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.708 4.826 2.687 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.470 7.280 2.260 1.00 15.00 C ATOM 0 HA LEU A 282 -7.811 4.565 4.469 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -8.032 6.100 2.486 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.735 7.455 3.556 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.526 6.347 4.170 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.632 4.717 2.551 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.060 4.086 3.405 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.211 4.673 1.732 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.397 7.136 2.134 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.964 7.193 1.292 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.657 8.270 2.675 1.00 15.00 H new ATOM 62 N PRO A 283 -7.186 5.270 6.804 1.00 15.00 N ATOM 63 CA PRO A 283 -6.672 5.659 8.119 1.00 15.00 C ATOM 64 C PRO A 283 -5.240 6.186 8.051 1.00 15.00 C ATOM 65 O PRO A 283 -4.391 5.602 7.374 1.00 15.00 O ATOM 66 CB PRO A 283 -6.715 4.351 8.928 1.00 15.00 C ATOM 67 CG PRO A 283 -7.384 3.339 8.051 1.00 15.00 C ATOM 68 CD PRO A 283 -7.199 3.816 6.641 1.00 15.00 C ATOM 0 HA PRO A 283 -7.258 6.468 8.556 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.710 4.028 9.199 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.268 4.486 9.858 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -6.942 2.352 8.189 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.442 3.251 8.296 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.270 3.447 6.205 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.009 3.487 5.990 1.00 15.00 H new ATOM 76 N PRO A 284 -4.953 7.298 8.754 1.00 15.00 N ATOM 77 CA PRO A 284 -3.600 7.856 8.840 1.00 15.00 C ATOM 78 C PRO A 284 -2.596 6.818 9.327 1.00 15.00 C ATOM 79 O PRO A 284 -2.694 6.313 10.450 1.00 15.00 O ATOM 80 CB PRO A 284 -3.739 8.997 9.850 1.00 15.00 C ATOM 81 CG PRO A 284 -5.176 9.376 9.792 1.00 15.00 C ATOM 82 CD PRO A 284 -5.926 8.107 9.507 1.00 15.00 C ATOM 0 HA PRO A 284 -3.227 8.188 7.871 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -3.454 8.676 10.852 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -3.096 9.838 9.589 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.501 9.819 10.733 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -5.353 10.118 9.013 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -6.237 7.609 10.425 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -6.828 8.295 8.925 1.00 15.00 H new ATOM 90 N GLY A 285 -1.645 6.496 8.472 1.00 15.00 N ATOM 91 CA GLY A 285 -0.735 5.404 8.739 1.00 15.00 C ATOM 92 C GLY A 285 -0.735 4.423 7.590 1.00 15.00 C ATOM 93 O GLY A 285 0.144 3.566 7.480 1.00 15.00 O ATOM 0 H GLY A 285 -1.484 6.976 7.587 1.00 15.00 H new ATOM 0 HA2 GLY A 285 0.272 5.791 8.894 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.026 4.896 9.658 1.00 15.00 H new ATOM 97 N TRP A 286 -1.725 4.577 6.716 1.00 15.00 N ATOM 98 CA TRP A 286 -1.807 3.791 5.501 1.00 15.00 C ATOM 99 C TRP A 286 -1.065 4.505 4.395 1.00 15.00 C ATOM 100 O TRP A 286 -1.562 5.474 3.815 1.00 15.00 O ATOM 101 CB TRP A 286 -3.270 3.573 5.071 1.00 15.00 C ATOM 102 CG TRP A 286 -3.869 2.309 5.598 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.974 1.937 6.907 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.436 1.238 4.824 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.557 0.698 7.000 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.845 0.244 5.739 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.636 1.012 3.450 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.430 -0.952 5.332 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.209 -0.184 3.058 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.596 -1.152 3.991 1.00 15.00 C ATOM 0 H TRP A 286 -2.485 5.247 6.833 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.358 2.817 5.694 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.869 4.418 5.411 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.322 3.563 3.982 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.646 2.531 7.747 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.746 0.196 7.868 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.349 1.754 2.720 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.741 -1.695 6.051 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.361 -0.375 2.006 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.035 -2.076 3.644 1.00 15.00 H new ATOM 121 N GLU A 287 0.148 4.062 4.146 1.00 15.00 N ATOM 122 CA GLU A 287 0.955 4.637 3.103 1.00 15.00 C ATOM 123 C GLU A 287 0.723 3.883 1.809 1.00 15.00 C ATOM 124 O GLU A 287 0.858 2.659 1.757 1.00 15.00 O ATOM 125 CB GLU A 287 2.430 4.609 3.513 1.00 15.00 C ATOM 126 CG GLU A 287 2.970 5.971 3.921 1.00 15.00 C ATOM 127 CD GLU A 287 2.199 6.607 5.060 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.508 6.307 6.229 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.293 7.424 4.787 1.00 15.00 O ATOM 0 H GLU A 287 0.595 3.301 4.657 1.00 15.00 H new ATOM 0 HA GLU A 287 0.672 5.678 2.945 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.556 3.913 4.343 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.023 4.225 2.683 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.015 5.867 4.213 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.945 6.637 3.058 1.00 15.00 H new ATOM 136 N VAL A 288 0.365 4.607 0.765 1.00 15.00 N ATOM 137 CA VAL A 288 0.096 3.983 -0.510 1.00 15.00 C ATOM 138 C VAL A 288 1.377 3.910 -1.322 1.00 15.00 C ATOM 139 O VAL A 288 1.840 4.896 -1.891 1.00 15.00 O ATOM 140 CB VAL A 288 -1.021 4.721 -1.308 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.325 4.692 -0.540 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.649 6.163 -1.629 1.00 15.00 C ATOM 0 H VAL A 288 0.255 5.621 0.777 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.272 2.975 -0.317 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.137 4.191 -2.253 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -3.095 5.211 -1.111 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.629 3.658 -0.378 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -2.191 5.186 0.422 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.460 6.633 -2.185 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.481 6.710 -0.702 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.260 6.179 -2.230 1.00 15.00 H new ATOM 152 N ARG A 289 1.998 2.746 -1.338 1.00 15.00 N ATOM 153 CA ARG A 289 3.212 2.612 -2.096 1.00 15.00 C ATOM 154 C ARG A 289 2.830 2.142 -3.493 1.00 15.00 C ATOM 155 O ARG A 289 2.497 0.979 -3.716 1.00 15.00 O ATOM 156 CB ARG A 289 4.218 1.691 -1.373 1.00 15.00 C ATOM 157 CG ARG A 289 5.679 1.894 -1.787 1.00 15.00 C ATOM 158 CD ARG A 289 5.923 1.587 -3.261 1.00 15.00 C ATOM 159 NE ARG A 289 7.309 1.832 -3.670 1.00 15.00 N ATOM 160 CZ ARG A 289 8.266 0.899 -3.675 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.042 -0.299 -3.158 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.462 1.176 -4.169 1.00 15.00 N ATOM 0 H ARG A 289 1.689 1.906 -0.848 1.00 15.00 H new ATOM 0 HA ARG A 289 3.733 3.565 -2.188 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.132 1.854 -0.299 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.941 0.654 -1.561 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.970 2.924 -1.582 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.317 1.255 -1.177 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.670 0.545 -3.457 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.256 2.197 -3.870 1.00 15.00 H new ATOM 0 HE ARG A 289 7.559 2.774 -3.970 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.132 -0.517 -2.751 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.779 -1.004 -3.167 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.655 2.103 -4.547 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.191 0.462 -4.172 1.00 15.00 H new ATOM 176 N SER A 290 2.783 3.101 -4.401 1.00 15.00 N ATOM 177 CA SER A 290 2.349 2.868 -5.761 1.00 15.00 C ATOM 178 C SER A 290 3.556 2.690 -6.669 1.00 15.00 C ATOM 179 O SER A 290 4.576 3.357 -6.500 1.00 15.00 O ATOM 180 CB SER A 290 1.496 4.052 -6.224 1.00 15.00 C ATOM 181 OG SER A 290 2.130 5.282 -5.910 1.00 15.00 O ATOM 0 H SER A 290 3.047 4.068 -4.211 1.00 15.00 H new ATOM 0 HA SER A 290 1.751 1.958 -5.806 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.329 3.988 -7.299 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.517 4.010 -5.746 1.00 15.00 H new ATOM 0 HG SER A 290 1.570 6.026 -6.215 1.00 15.00 H new ATOM 187 N THR A 291 3.446 1.790 -7.629 1.00 15.00 N ATOM 188 CA THR A 291 4.533 1.563 -8.558 1.00 15.00 C ATOM 189 C THR A 291 4.036 1.625 -9.999 1.00 15.00 C ATOM 190 O THR A 291 2.891 1.248 -10.289 1.00 15.00 O ATOM 191 CB THR A 291 5.236 0.222 -8.275 1.00 15.00 C ATOM 192 OG1 THR A 291 4.266 -0.828 -8.174 1.00 15.00 O ATOM 193 CG2 THR A 291 6.042 0.304 -6.982 1.00 15.00 C ATOM 0 H THR A 291 2.622 1.210 -7.784 1.00 15.00 H new ATOM 0 HA THR A 291 5.265 2.358 -8.417 1.00 15.00 H new ATOM 0 HB THR A 291 5.916 0.007 -9.100 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.721 -1.678 -7.996 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.532 -0.652 -6.797 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.795 1.087 -7.072 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.375 0.536 -6.152 1.00 15.00 H new ATOM 201 N VAL A 292 4.913 2.090 -10.893 1.00 15.00 N ATOM 202 CA VAL A 292 4.559 2.396 -12.281 1.00 15.00 C ATOM 203 C VAL A 292 4.062 1.175 -13.052 1.00 15.00 C ATOM 204 O VAL A 292 3.486 1.311 -14.130 1.00 15.00 O ATOM 205 CB VAL A 292 5.748 3.025 -13.037 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.142 4.349 -12.401 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.934 2.074 -13.073 1.00 15.00 C ATOM 0 H VAL A 292 5.893 2.265 -10.673 1.00 15.00 H new ATOM 0 HA VAL A 292 3.740 3.113 -12.225 1.00 15.00 H new ATOM 0 HB VAL A 292 5.436 3.214 -14.064 1.00 15.00 H new ATOM 0 HG11 VAL A 292 6.982 4.779 -12.947 1.00 15.00 H new ATOM 0 HG12 VAL A 292 5.296 5.036 -12.437 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.430 4.183 -11.363 1.00 15.00 H new ATOM 0 HG21 VAL A 292 7.759 2.541 -13.611 1.00 15.00 H new ATOM 0 HG22 VAL A 292 7.248 1.846 -12.055 1.00 15.00 H new ATOM 0 HG23 VAL A 292 6.646 1.152 -13.579 1.00 15.00 H new ATOM 217 N SER A 293 4.295 -0.010 -12.502 1.00 15.00 N ATOM 218 CA SER A 293 3.770 -1.244 -13.075 1.00 15.00 C ATOM 219 C SER A 293 2.236 -1.237 -13.081 1.00 15.00 C ATOM 220 O SER A 293 1.605 -2.056 -13.745 1.00 15.00 O ATOM 221 CB SER A 293 4.292 -2.447 -12.291 1.00 15.00 C ATOM 222 OG SER A 293 5.707 -2.412 -12.200 1.00 15.00 O ATOM 0 H SER A 293 4.847 -0.143 -11.655 1.00 15.00 H new ATOM 0 HA SER A 293 4.111 -1.317 -14.108 1.00 15.00 H new ATOM 0 HB2 SER A 293 3.859 -2.451 -11.291 1.00 15.00 H new ATOM 0 HB3 SER A 293 3.977 -3.369 -12.779 1.00 15.00 H new ATOM 0 HG SER A 293 6.022 -3.189 -11.693 1.00 15.00 H new ATOM 228 N GLY A 294 1.650 -0.311 -12.327 1.00 15.00 N ATOM 229 CA GLY A 294 0.208 -0.224 -12.226 1.00 15.00 C ATOM 230 C GLY A 294 -0.328 -1.063 -11.093 1.00 15.00 C ATOM 231 O GLY A 294 -1.435 -1.594 -11.165 1.00 15.00 O ATOM 0 H GLY A 294 2.156 0.386 -11.780 1.00 15.00 H new ATOM 0 HA2 GLY A 294 -0.083 0.816 -12.077 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.242 -0.550 -13.164 1.00 15.00 H new ATOM 235 N ARG A 295 0.457 -1.165 -10.032 1.00 15.00 N ATOM 236 CA ARG A 295 0.068 -1.946 -8.872 1.00 15.00 C ATOM 237 C ARG A 295 0.258 -1.140 -7.593 1.00 15.00 C ATOM 238 O ARG A 295 1.375 -0.741 -7.251 1.00 15.00 O ATOM 239 CB ARG A 295 0.852 -3.271 -8.819 1.00 15.00 C ATOM 240 CG ARG A 295 2.356 -3.113 -8.982 1.00 15.00 C ATOM 241 CD ARG A 295 3.056 -4.449 -9.205 1.00 15.00 C ATOM 242 NE ARG A 295 3.086 -5.289 -8.004 1.00 15.00 N ATOM 243 CZ ARG A 295 4.063 -6.166 -7.741 1.00 15.00 C ATOM 244 NH1 ARG A 295 5.098 -6.274 -8.566 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 4.012 -6.930 -6.651 1.00 15.00 N ATOM 0 H ARG A 295 1.369 -0.715 -9.952 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.991 -2.189 -8.960 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.651 -3.761 -7.867 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.480 -3.932 -9.602 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.561 -2.453 -9.825 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.767 -2.633 -8.094 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.550 -4.988 -10.006 1.00 15.00 H new ATOM 0 HD3 ARG A 295 4.077 -4.266 -9.539 1.00 15.00 H new ATOM 0 HE ARG A 295 2.322 -5.201 -7.333 1.00 15.00 H new ATOM 0 HH11 ARG A 295 5.149 -5.689 -9.400 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.842 -6.942 -8.366 1.00 15.00 H new ATOM 0 HH21 ARG A 295 3.224 -6.850 -6.008 1.00 15.00 H new ATOM 0 HH22 ARG A 295 4.761 -7.595 -6.459 1.00 15.00 H new ATOM 259 N ILE A 296 -0.849 -0.862 -6.921 1.00 15.00 N ATOM 260 CA ILE A 296 -0.811 -0.221 -5.618 1.00 15.00 C ATOM 261 C ILE A 296 -0.736 -1.320 -4.569 1.00 15.00 C ATOM 262 O ILE A 296 -1.345 -2.375 -4.732 1.00 15.00 O ATOM 263 CB ILE A 296 -2.050 0.701 -5.397 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.835 1.671 -4.217 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.318 -0.122 -5.182 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.227 1.114 -2.861 1.00 15.00 C ATOM 0 H ILE A 296 -1.788 -1.072 -7.260 1.00 15.00 H new ATOM 0 HA ILE A 296 0.062 0.428 -5.544 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.172 1.295 -6.303 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -0.784 1.958 -4.187 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.409 2.579 -4.401 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.165 0.547 -5.031 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.500 -0.745 -6.057 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.196 -0.756 -4.304 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.042 1.864 -2.092 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.286 0.854 -2.867 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.636 0.223 -2.649 1.00 15.00 H new ATOM 278 N TYR A 297 0.028 -1.101 -3.520 1.00 15.00 N ATOM 279 CA TYR A 297 0.281 -2.164 -2.569 1.00 15.00 C ATOM 280 C TYR A 297 0.501 -1.515 -1.235 1.00 15.00 C ATOM 281 O TYR A 297 1.231 -0.515 -1.115 1.00 15.00 O ATOM 282 CB TYR A 297 1.441 -3.110 -2.991 1.00 15.00 C ATOM 283 CG TYR A 297 2.833 -2.730 -2.521 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.526 -1.697 -3.125 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.460 -3.416 -1.477 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.790 -1.347 -2.703 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.724 -3.065 -1.053 1.00 15.00 C ATOM 288 CZ TYR A 297 5.381 -2.030 -1.666 1.00 15.00 C ATOM 289 OH TYR A 297 6.639 -1.673 -1.242 1.00 15.00 O ATOM 0 H TYR A 297 0.479 -0.212 -3.305 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.579 -2.833 -2.523 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.217 -4.110 -2.620 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.453 -3.169 -4.079 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.069 -1.156 -3.940 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.946 -4.234 -0.995 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.316 -0.537 -3.186 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.194 -3.602 -0.243 1.00 15.00 H new ATOM 0 HH TYR A 297 6.911 -2.253 -0.501 1.00 15.00 H new ATOM 299 N PHE A 298 -0.164 -2.034 -0.250 1.00 15.00 N ATOM 300 CA PHE A 298 -0.254 -1.346 0.978 1.00 15.00 C ATOM 301 C PHE A 298 0.826 -1.660 1.948 1.00 15.00 C ATOM 302 O PHE A 298 1.123 -2.820 2.227 1.00 15.00 O ATOM 303 CB PHE A 298 -1.596 -1.547 1.594 1.00 15.00 C ATOM 304 CG PHE A 298 -2.371 -0.346 1.310 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.962 0.847 1.865 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.454 -0.375 0.463 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.626 1.995 1.595 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.129 0.782 0.191 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.709 1.956 0.762 1.00 15.00 C ATOM 0 H PHE A 298 -0.648 -2.931 -0.282 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.116 -0.293 0.731 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.084 -2.429 1.180 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.509 -1.706 2.669 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.104 0.866 2.521 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.769 -1.306 0.016 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.305 2.929 2.032 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.985 0.772 -0.467 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.245 2.869 0.549 1.00 15.00 H new ATOM 319 N VAL A 299 1.353 -0.576 2.481 1.00 15.00 N ATOM 320 CA VAL A 299 2.409 -0.592 3.433 1.00 15.00 C ATOM 321 C VAL A 299 2.034 0.349 4.580 1.00 15.00 C ATOM 322 O VAL A 299 2.295 1.555 4.546 1.00 15.00 O ATOM 323 CB VAL A 299 3.727 -0.150 2.755 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.198 -1.211 1.771 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.537 1.168 2.019 1.00 15.00 C ATOM 0 H VAL A 299 1.036 0.365 2.245 1.00 15.00 H new ATOM 0 HA VAL A 299 2.558 -1.597 3.828 1.00 15.00 H new ATOM 0 HB VAL A 299 4.478 -0.019 3.534 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.127 -0.886 1.302 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.368 -2.148 2.301 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.437 -1.360 1.005 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.476 1.461 1.549 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.770 1.050 1.254 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.229 1.938 2.726 1.00 15.00 H new ATOM 335 N ASP A 300 1.368 -0.190 5.578 1.00 15.00 N ATOM 336 CA ASP A 300 0.994 0.607 6.729 1.00 15.00 C ATOM 337 C ASP A 300 2.113 0.526 7.745 1.00 15.00 C ATOM 338 O ASP A 300 2.519 -0.568 8.155 1.00 15.00 O ATOM 339 CB ASP A 300 -0.353 0.155 7.315 1.00 15.00 C ATOM 340 CG ASP A 300 -0.292 -0.140 8.799 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.125 0.798 9.607 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.387 -1.321 9.160 1.00 15.00 O ATOM 0 H ASP A 300 1.076 -1.167 5.618 1.00 15.00 H new ATOM 0 HA ASP A 300 0.854 1.646 6.430 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.098 0.931 7.136 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.689 -0.738 6.788 1.00 15.00 H new ATOM 347 N HIS A 301 2.612 1.695 8.124 1.00 15.00 N ATOM 348 CA HIS A 301 3.857 1.799 8.868 1.00 15.00 C ATOM 349 C HIS A 301 3.682 1.488 10.350 1.00 15.00 C ATOM 350 O HIS A 301 4.643 1.105 11.015 1.00 15.00 O ATOM 351 CB HIS A 301 4.473 3.196 8.733 1.00 15.00 C ATOM 352 CG HIS A 301 4.910 3.594 7.351 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.362 2.864 6.303 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.008 4.906 6.957 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.742 3.734 5.316 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.508 4.965 5.740 1.00 15.00 N flip ATOM 0 H HIS A 301 2.168 2.591 7.925 1.00 15.00 H new ATOM 0 HA HIS A 301 4.523 1.055 8.432 1.00 15.00 H new ATOM 0 HB2 HIS A 301 3.746 3.927 9.087 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.336 3.256 9.397 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.411 1.846 6.257 1.00 15.00 H new ATOM 0 HD2 HIS A 301 4.719 5.759 7.554 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.160 3.462 4.358 1.00 15.00 H new ATOM 365 N ASN A 302 2.476 1.661 10.876 1.00 15.00 N ATOM 366 CA ASN A 302 2.281 1.560 12.320 1.00 15.00 C ATOM 367 C ASN A 302 1.753 0.197 12.744 1.00 15.00 C ATOM 368 O ASN A 302 2.052 -0.272 13.842 1.00 15.00 O ATOM 369 CB ASN A 302 1.367 2.675 12.851 1.00 15.00 C ATOM 370 CG ASN A 302 0.089 2.840 12.052 1.00 15.00 C ATOM 371 OD1 ASN A 302 0.036 3.628 11.110 1.00 15.00 O ATOM 372 ND2 ASN A 302 -0.951 2.111 12.421 1.00 15.00 N ATOM 0 H ASN A 302 1.633 1.868 10.340 1.00 15.00 H new ATOM 0 HA ASN A 302 3.268 1.683 12.765 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.112 2.462 13.889 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.915 3.617 12.844 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.835 2.192 11.918 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.869 1.467 13.208 1.00 15.00 H new ATOM 379 N ASN A 303 0.936 -0.424 11.914 1.00 15.00 N ATOM 380 CA ASN A 303 0.462 -1.770 12.219 1.00 15.00 C ATOM 381 C ASN A 303 1.246 -2.832 11.447 1.00 15.00 C ATOM 382 O ASN A 303 1.165 -4.016 11.771 1.00 15.00 O ATOM 383 CB ASN A 303 -1.035 -1.912 11.938 1.00 15.00 C ATOM 384 CG ASN A 303 -1.882 -0.915 12.705 1.00 15.00 C ATOM 385 OD1 ASN A 303 -1.528 -0.480 13.803 1.00 15.00 O ATOM 386 ND2 ASN A 303 -3.013 -0.545 12.129 1.00 15.00 N ATOM 0 H ASN A 303 0.589 -0.032 11.039 1.00 15.00 H new ATOM 0 HA ASN A 303 0.629 -1.930 13.284 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.212 -1.784 10.870 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.352 -2.923 12.195 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -3.627 0.123 12.594 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -3.271 -0.928 11.219 1.00 15.00 H new ATOM 393 N ARG A 304 1.992 -2.405 10.420 1.00 15.00 N ATOM 394 CA ARG A 304 2.730 -3.321 9.544 1.00 15.00 C ATOM 395 C ARG A 304 1.769 -4.161 8.704 1.00 15.00 C ATOM 396 O ARG A 304 1.844 -5.394 8.686 1.00 15.00 O ATOM 397 CB ARG A 304 3.686 -4.227 10.338 1.00 15.00 C ATOM 398 CG ARG A 304 5.086 -3.652 10.508 1.00 15.00 C ATOM 399 CD ARG A 304 5.090 -2.359 11.309 1.00 15.00 C ATOM 400 NE ARG A 304 4.848 -2.585 12.733 1.00 15.00 N ATOM 401 CZ ARG A 304 4.875 -1.620 13.651 1.00 15.00 C ATOM 402 NH1 ARG A 304 5.071 -0.358 13.289 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 4.694 -1.911 14.931 1.00 15.00 N ATOM 0 H ARG A 304 2.100 -1.421 10.175 1.00 15.00 H new ATOM 0 HA ARG A 304 3.336 -2.710 8.875 1.00 15.00 H new ATOM 0 HB2 ARG A 304 3.259 -4.414 11.323 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.759 -5.191 9.834 1.00 15.00 H new ATOM 0 HG2 ARG A 304 5.719 -4.386 11.006 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.522 -3.469 9.526 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.050 -1.859 11.181 1.00 15.00 H new ATOM 0 HD3 ARG A 304 4.326 -1.688 10.915 1.00 15.00 H new ATOM 0 HE ARG A 304 4.647 -3.536 13.041 1.00 15.00 H new ATOM 0 HH11 ARG A 304 5.202 -0.124 12.305 1.00 15.00 H new ATOM 0 HH12 ARG A 304 5.091 0.378 13.995 1.00 15.00 H new ATOM 0 HH21 ARG A 304 4.533 -2.877 15.217 1.00 15.00 H new ATOM 0 HH22 ARG A 304 4.715 -1.169 15.631 1.00 15.00 H new ATOM 417 N THR A 305 0.874 -3.482 8.001 1.00 15.00 N ATOM 418 CA THR A 305 -0.133 -4.157 7.183 1.00 15.00 C ATOM 419 C THR A 305 0.217 -4.061 5.700 1.00 15.00 C ATOM 420 O THR A 305 0.624 -3.001 5.220 1.00 15.00 O ATOM 421 CB THR A 305 -1.534 -3.557 7.419 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.780 -3.433 8.826 1.00 15.00 O ATOM 423 CG2 THR A 305 -2.618 -4.421 6.790 1.00 15.00 C ATOM 0 H THR A 305 0.822 -2.464 7.978 1.00 15.00 H new ATOM 0 HA THR A 305 -0.144 -5.206 7.480 1.00 15.00 H new ATOM 0 HB THR A 305 -1.562 -2.574 6.950 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.126 -2.818 9.219 1.00 15.00 H new ATOM 0 HG21 THR A 305 -3.594 -3.971 6.974 1.00 15.00 H new ATOM 0 HG22 THR A 305 -2.448 -4.493 5.716 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.589 -5.418 7.230 1.00 15.00 H new ATOM 431 N THR A 306 0.062 -5.172 4.983 1.00 15.00 N ATOM 432 CA THR A 306 0.391 -5.230 3.564 1.00 15.00 C ATOM 433 C THR A 306 -0.762 -5.828 2.750 1.00 15.00 C ATOM 434 O THR A 306 -1.130 -6.985 2.952 1.00 15.00 O ATOM 435 CB THR A 306 1.672 -6.061 3.343 1.00 15.00 C ATOM 436 OG1 THR A 306 1.584 -7.303 4.065 1.00 15.00 O ATOM 437 CG2 THR A 306 2.901 -5.290 3.805 1.00 15.00 C ATOM 0 H THR A 306 -0.292 -6.049 5.366 1.00 15.00 H new ATOM 0 HA THR A 306 0.560 -4.209 3.221 1.00 15.00 H new ATOM 0 HB THR A 306 1.767 -6.266 2.277 1.00 15.00 H new ATOM 0 HG1 THR A 306 0.688 -7.683 3.954 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.793 -5.894 3.640 1.00 15.00 H new ATOM 0 HG22 THR A 306 2.982 -4.362 3.239 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.809 -5.061 4.867 1.00 15.00 H new ATOM 445 N GLN A 307 -1.340 -5.039 1.839 1.00 15.00 N ATOM 446 CA GLN A 307 -2.523 -5.490 1.070 1.00 15.00 C ATOM 447 C GLN A 307 -2.558 -4.890 -0.339 1.00 15.00 C ATOM 448 O GLN A 307 -2.375 -3.696 -0.499 1.00 15.00 O ATOM 449 CB GLN A 307 -3.825 -5.080 1.778 1.00 15.00 C ATOM 450 CG GLN A 307 -3.932 -5.509 3.231 1.00 15.00 C ATOM 451 CD GLN A 307 -5.322 -5.292 3.806 1.00 15.00 C ATOM 452 OE1 GLN A 307 -6.038 -4.301 3.294 1.00 15.00 O flip ATOM 453 NE2 GLN A 307 -5.750 -6.013 4.706 1.00 15.00 N flip ATOM 0 H GLN A 307 -1.020 -4.097 1.612 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.443 -6.575 1.003 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.921 -3.995 1.728 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.667 -5.501 1.228 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -3.669 -6.564 3.314 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -3.207 -4.952 3.824 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.170 -6.766 5.075 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -6.685 -5.858 5.083 1.00 15.00 H new ATOM 462 N PHE A 308 -2.845 -5.703 -1.356 1.00 15.00 N ATOM 463 CA PHE A 308 -3.057 -5.173 -2.709 1.00 15.00 C ATOM 464 C PHE A 308 -4.404 -4.477 -2.845 1.00 15.00 C ATOM 465 O PHE A 308 -4.591 -3.647 -3.734 1.00 15.00 O ATOM 466 CB PHE A 308 -2.969 -6.261 -3.780 1.00 15.00 C ATOM 467 CG PHE A 308 -1.598 -6.477 -4.345 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.891 -5.418 -4.890 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.036 -7.738 -4.375 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.356 -5.614 -5.450 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.208 -7.937 -4.926 1.00 15.00 C ATOM 472 CZ PHE A 308 0.905 -6.875 -5.465 1.00 15.00 C ATOM 0 H PHE A 308 -2.936 -6.716 -1.275 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.255 -4.451 -2.864 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.323 -7.200 -3.354 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.646 -6.005 -4.595 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.320 -4.427 -4.877 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.578 -8.576 -3.962 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.897 -4.781 -5.874 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.640 -8.927 -4.937 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.881 -7.034 -5.899 1.00 15.00 H new ATOM 482 N THR A 309 -5.352 -4.840 -1.997 1.00 15.00 N ATOM 483 CA THR A 309 -6.678 -4.260 -2.079 1.00 15.00 C ATOM 484 C THR A 309 -6.664 -2.818 -1.568 1.00 15.00 C ATOM 485 O THR A 309 -6.199 -2.539 -0.459 1.00 15.00 O ATOM 486 CB THR A 309 -7.725 -5.114 -1.321 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.034 -4.564 -1.508 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.414 -5.210 0.167 1.00 15.00 C ATOM 0 H THR A 309 -5.229 -5.526 -1.252 1.00 15.00 H new ATOM 0 HA THR A 309 -6.974 -4.249 -3.128 1.00 15.00 H new ATOM 0 HB THR A 309 -7.686 -6.122 -1.734 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.690 -5.110 -1.027 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.173 -5.818 0.659 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.436 -5.670 0.305 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.410 -4.211 0.603 1.00 15.00 H new ATOM 496 N ASP A 310 -7.149 -1.906 -2.398 1.00 15.00 N ATOM 497 CA ASP A 310 -7.114 -0.485 -2.077 1.00 15.00 C ATOM 498 C ASP A 310 -8.523 0.077 -1.938 1.00 15.00 C ATOM 499 O ASP A 310 -9.309 0.065 -2.888 1.00 15.00 O ATOM 500 CB ASP A 310 -6.312 0.279 -3.143 1.00 15.00 C ATOM 501 CG ASP A 310 -6.336 1.790 -2.967 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.541 2.266 -1.835 1.00 15.00 O ATOM 503 OD2 ASP A 310 -6.126 2.508 -3.971 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.572 -2.124 -3.300 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.615 -0.357 -1.116 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.277 -0.063 -3.120 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.708 0.031 -4.128 1.00 15.00 H new ATOM 508 N PRO A 311 -8.853 0.569 -0.732 1.00 15.00 N ATOM 509 CA PRO A 311 -10.173 1.124 -0.417 1.00 15.00 C ATOM 510 C PRO A 311 -10.426 2.486 -1.068 1.00 15.00 C ATOM 511 O PRO A 311 -11.559 2.961 -1.097 1.00 15.00 O ATOM 512 CB PRO A 311 -10.139 1.258 1.109 1.00 15.00 C ATOM 513 CG PRO A 311 -8.700 1.456 1.428 1.00 15.00 C ATOM 514 CD PRO A 311 -7.948 0.613 0.436 1.00 15.00 C ATOM 0 HA PRO A 311 -10.975 0.490 -0.794 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.741 2.101 1.448 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.535 0.367 1.596 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.420 2.506 1.342 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.479 1.150 2.450 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.985 1.055 0.182 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.748 -0.385 0.827 1.00 15.00 H new ATOM 522 N ARG A 312 -9.366 3.122 -1.558 1.00 15.00 N ATOM 523 CA ARG A 312 -9.459 4.475 -2.115 1.00 15.00 C ATOM 524 C ARG A 312 -10.297 4.535 -3.393 1.00 15.00 C ATOM 525 O ARG A 312 -10.668 5.621 -3.840 1.00 15.00 O ATOM 526 CB ARG A 312 -8.064 5.035 -2.381 1.00 15.00 C ATOM 527 CG ARG A 312 -7.289 5.378 -1.117 1.00 15.00 C ATOM 528 CD ARG A 312 -7.696 6.732 -0.546 1.00 15.00 C ATOM 529 NE ARG A 312 -9.066 6.747 -0.019 1.00 15.00 N ATOM 530 CZ ARG A 312 -9.651 7.836 0.486 1.00 15.00 C ATOM 531 NH1 ARG A 312 -8.995 8.988 0.507 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -10.888 7.772 0.966 1.00 15.00 N ATOM 0 H ARG A 312 -8.427 2.723 -1.582 1.00 15.00 H new ATOM 0 HA ARG A 312 -9.967 5.087 -1.369 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -7.495 4.307 -2.959 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -8.153 5.931 -2.996 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -7.456 4.604 -0.368 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.221 5.384 -1.337 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -7.004 7.007 0.250 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -7.604 7.490 -1.324 1.00 15.00 H new ATOM 0 HE ARG A 312 -9.600 5.878 -0.040 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -8.046 9.041 0.138 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -9.440 9.821 0.892 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -11.396 6.888 0.950 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -11.330 8.607 1.351 1.00 15.00 H new ATOM 546 N LEU A 313 -10.566 3.385 -3.997 1.00 15.00 N ATOM 547 CA LEU A 313 -11.379 3.342 -5.207 1.00 15.00 C ATOM 548 C LEU A 313 -12.859 3.466 -4.862 1.00 15.00 C ATOM 549 O LEU A 313 -13.456 4.525 -5.155 1.00 15.00 O ATOM 550 CB LEU A 313 -11.130 2.056 -6.004 1.00 15.00 C ATOM 551 CG LEU A 313 -9.816 2.008 -6.796 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.620 1.828 -5.874 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.863 0.901 -7.835 1.00 15.00 C ATOM 0 H LEU A 313 -10.237 2.476 -3.673 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.088 4.188 -5.830 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -11.147 1.213 -5.313 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -11.957 1.915 -6.699 1.00 15.00 H new ATOM 0 HG LEU A 313 -9.698 2.963 -7.309 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.705 1.798 -6.466 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.572 2.662 -5.174 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.725 0.895 -5.320 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.924 0.881 -8.388 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.013 -0.058 -7.339 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.686 1.085 -8.525 1.00 15.00 H new ATOM 566 N ASP B 221 1.135 -9.453 -10.539 1.00 15.00 N ATOM 567 CA ASP B 221 1.584 -8.965 -9.212 1.00 15.00 C ATOM 568 C ASP B 221 1.745 -10.118 -8.232 1.00 15.00 C ATOM 569 O ASP B 221 0.850 -10.949 -8.075 1.00 15.00 O ATOM 570 CB ASP B 221 0.596 -7.937 -8.638 1.00 15.00 C ATOM 571 CG ASP B 221 -0.844 -8.417 -8.668 1.00 15.00 C ATOM 572 OD1 ASP B 221 -1.530 -8.175 -9.682 1.00 15.00 O ATOM 573 OD2 ASP B 221 -1.295 -9.038 -7.688 1.00 15.00 O1- ATOM 0 HA ASP B 221 2.552 -8.484 -9.354 1.00 15.00 H new ATOM 0 HB2 ASP B 221 0.875 -7.708 -7.610 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.676 -7.009 -9.204 1.00 15.00 H new ATOM 578 N THR B 222 2.900 -10.166 -7.588 1.00 15.00 N ATOM 579 CA THR B 222 3.157 -11.124 -6.530 1.00 15.00 C ATOM 580 C THR B 222 2.666 -10.565 -5.201 1.00 15.00 C ATOM 581 O THR B 222 2.657 -9.348 -5.023 1.00 15.00 O ATOM 582 CB THR B 222 4.661 -11.436 -6.445 1.00 15.00 C ATOM 583 OG1 THR B 222 5.413 -10.219 -6.588 1.00 15.00 O ATOM 584 CG2 THR B 222 5.073 -12.427 -7.524 1.00 15.00 C ATOM 0 H THR B 222 3.683 -9.543 -7.785 1.00 15.00 H new ATOM 0 HA THR B 222 2.622 -12.047 -6.752 1.00 15.00 H new ATOM 0 HB THR B 222 4.868 -11.884 -5.473 1.00 15.00 H new ATOM 0 HG1 THR B 222 6.371 -10.418 -6.532 1.00 15.00 H new ATOM 0 HG21 THR B 222 6.141 -12.631 -7.442 1.00 15.00 H new ATOM 0 HG22 THR B 222 4.516 -13.355 -7.398 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.858 -12.006 -8.506 1.00 15.00 H new ATOM 592 N PRO B 223 2.275 -11.440 -4.251 1.00 15.00 N ATOM 593 CA PRO B 223 1.657 -11.026 -2.980 1.00 15.00 C ATOM 594 C PRO B 223 2.434 -9.912 -2.281 1.00 15.00 C ATOM 595 O PRO B 223 3.665 -9.875 -2.335 1.00 15.00 O ATOM 596 CB PRO B 223 1.696 -12.307 -2.146 1.00 15.00 C ATOM 597 CG PRO B 223 1.636 -13.403 -3.146 1.00 15.00 C ATOM 598 CD PRO B 223 2.389 -12.908 -4.352 1.00 15.00 C ATOM 0 HA PRO B 223 0.657 -10.618 -3.127 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.606 -12.364 -1.548 1.00 15.00 H new ATOM 0 HB3 PRO B 223 0.856 -12.355 -1.453 1.00 15.00 H new ATOM 0 HG2 PRO B 223 2.086 -14.315 -2.753 1.00 15.00 H new ATOM 0 HG3 PRO B 223 0.604 -13.641 -3.402 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.430 -13.232 -4.336 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.953 -13.282 -5.279 1.00 15.00 H new ATOM 606 N PRO B 224 1.711 -9.010 -1.586 1.00 15.00 N ATOM 607 CA PRO B 224 2.271 -7.762 -1.063 1.00 15.00 C ATOM 608 C PRO B 224 3.535 -7.976 -0.240 1.00 15.00 C ATOM 609 O PRO B 224 3.530 -8.680 0.774 1.00 15.00 O ATOM 610 CB PRO B 224 1.150 -7.172 -0.196 1.00 15.00 C ATOM 611 CG PRO B 224 0.155 -8.269 -0.025 1.00 15.00 C ATOM 612 CD PRO B 224 0.294 -9.156 -1.225 1.00 15.00 C ATOM 0 HA PRO B 224 2.578 -7.102 -1.874 1.00 15.00 H new ATOM 0 HB2 PRO B 224 1.535 -6.838 0.768 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.698 -6.304 -0.677 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.344 -8.825 0.893 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.856 -7.869 0.047 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.042 -10.191 -0.993 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.363 -8.842 -2.036 1.00 15.00 H new ATOM 620 N PRO B 225 4.636 -7.367 -0.694 1.00 15.00 N ATOM 621 CA PRO B 225 5.939 -7.465 -0.038 1.00 15.00 C ATOM 622 C PRO B 225 6.008 -6.658 1.253 1.00 15.00 C ATOM 623 O PRO B 225 5.030 -6.021 1.644 1.00 15.00 O ATOM 624 CB PRO B 225 6.889 -6.892 -1.087 1.00 15.00 C ATOM 625 CG PRO B 225 6.066 -5.940 -1.871 1.00 15.00 C ATOM 626 CD PRO B 225 4.689 -6.534 -1.910 1.00 15.00 C ATOM 0 HA PRO B 225 6.174 -8.485 0.265 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.736 -6.390 -0.620 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.296 -7.678 -1.723 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.055 -4.955 -1.404 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.466 -5.812 -2.877 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.919 -5.762 -1.901 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.534 -7.129 -2.810 1.00 15.00 H new ATOM 634 N ALA B 226 7.168 -6.696 1.909 1.00 15.00 N ATOM 635 CA ALA B 226 7.388 -5.947 3.143 1.00 15.00 C ATOM 636 C ALA B 226 7.115 -4.463 2.929 1.00 15.00 C ATOM 637 O ALA B 226 7.177 -3.969 1.800 1.00 15.00 O ATOM 638 CB ALA B 226 8.807 -6.156 3.643 1.00 15.00 C ATOM 0 H ALA B 226 7.973 -7.242 1.603 1.00 15.00 H new ATOM 0 HA ALA B 226 6.694 -6.318 3.897 1.00 15.00 H new ATOM 0 HB1 ALA B 226 8.955 -5.591 4.563 1.00 15.00 H new ATOM 0 HB2 ALA B 226 8.972 -7.216 3.837 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.513 -5.811 2.888 1.00 15.00 H new ATOM 644 N TYR B 227 6.839 -3.747 4.005 1.00 15.00 N ATOM 645 CA TYR B 227 6.362 -2.385 3.874 1.00 15.00 C ATOM 646 C TYR B 227 7.500 -1.370 3.848 1.00 15.00 C ATOM 647 O TYR B 227 8.441 -1.422 4.643 1.00 15.00 O ATOM 648 CB TYR B 227 5.364 -2.045 4.983 1.00 15.00 C ATOM 649 CG TYR B 227 5.996 -1.517 6.253 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.573 -2.366 7.189 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.028 -0.157 6.502 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.161 -1.863 8.338 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.608 0.352 7.640 1.00 15.00 C ATOM 654 CZ TYR B 227 7.175 -0.501 8.557 1.00 15.00 C ATOM 655 OH TYR B 227 7.756 0.009 9.696 1.00 15.00 O ATOM 0 H TYR B 227 6.935 -4.081 4.964 1.00 15.00 H new ATOM 0 HA TYR B 227 5.852 -2.322 2.913 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.660 -1.303 4.606 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.788 -2.939 5.223 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.563 -3.432 7.019 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.587 0.521 5.786 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.606 -2.533 9.058 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.618 1.418 7.813 1.00 15.00 H new ATOM 0 HH TYR B 227 7.680 0.986 9.693 1.00 15.00 H new ATOM 665 N LEU B 228 7.376 -0.449 2.915 1.00 15.00 N ATOM 666 CA LEU B 228 8.294 0.664 2.745 1.00 15.00 C ATOM 667 C LEU B 228 7.477 1.947 2.652 1.00 15.00 C ATOM 668 O LEU B 228 6.295 1.891 2.359 1.00 15.00 O ATOM 669 CB LEU B 228 9.163 0.500 1.483 1.00 15.00 C ATOM 670 CG LEU B 228 10.275 -0.558 1.546 1.00 15.00 C ATOM 671 CD1 LEU B 228 11.049 -0.453 2.848 1.00 15.00 C ATOM 672 CD2 LEU B 228 9.715 -1.959 1.356 1.00 15.00 C ATOM 0 H LEU B 228 6.615 -0.452 2.235 1.00 15.00 H new ATOM 0 HA LEU B 228 8.970 0.698 3.599 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.507 0.256 0.647 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.621 1.463 1.258 1.00 15.00 H new ATOM 0 HG LEU B 228 10.966 -0.364 0.726 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.831 -1.212 2.869 1.00 15.00 H new ATOM 0 HD12 LEU B 228 11.502 0.536 2.924 1.00 15.00 H new ATOM 0 HD13 LEU B 228 10.371 -0.607 3.688 1.00 15.00 H new ATOM 0 HD21 LEU B 228 10.526 -2.685 1.406 1.00 15.00 H new ATOM 0 HD22 LEU B 228 8.990 -2.171 2.142 1.00 15.00 H new ATOM 0 HD23 LEU B 228 9.227 -2.027 0.384 1.00 15.00 H new ATOM 684 N PRO B 229 8.068 3.121 2.876 1.00 15.00 N ATOM 685 CA PRO B 229 7.319 4.364 2.768 1.00 15.00 C ATOM 686 C PRO B 229 7.353 4.880 1.332 1.00 15.00 C ATOM 687 O PRO B 229 8.306 4.635 0.593 1.00 15.00 O ATOM 688 CB PRO B 229 8.091 5.325 3.690 1.00 15.00 C ATOM 689 CG PRO B 229 9.181 4.515 4.317 1.00 15.00 C ATOM 690 CD PRO B 229 9.399 3.333 3.421 1.00 15.00 C ATOM 0 HA PRO B 229 6.269 4.255 3.039 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.503 6.161 3.124 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.434 5.748 4.450 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.094 5.102 4.414 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.899 4.195 5.320 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.131 3.541 2.641 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.758 2.464 3.972 1.00 15.00 H new ATOM 698 N PRO B 230 6.309 5.624 0.929 1.00 15.00 N ATOM 699 CA PRO B 230 5.828 5.600 -0.443 1.00 15.00 C ATOM 700 C PRO B 230 6.462 6.607 -1.386 1.00 15.00 C ATOM 701 O PRO B 230 6.672 7.774 -1.048 1.00 15.00 O ATOM 702 CB PRO B 230 4.356 5.939 -0.243 1.00 15.00 C ATOM 703 CG PRO B 230 4.349 6.922 0.878 1.00 15.00 C ATOM 704 CD PRO B 230 5.545 6.598 1.742 1.00 15.00 C ATOM 0 HA PRO B 230 6.058 4.648 -0.922 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.920 6.365 -1.147 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.774 5.051 0.004 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.409 7.942 0.499 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.425 6.849 1.452 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.135 7.488 1.960 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.244 6.173 2.699 1.00 15.00 H new ATOM 712 N GLU B 231 6.744 6.130 -2.587 1.00 15.00 N ATOM 713 CA GLU B 231 7.065 6.997 -3.696 1.00 15.00 C ATOM 714 C GLU B 231 5.841 7.036 -4.624 1.00 15.00 C ATOM 715 O GLU B 231 5.418 5.995 -5.124 1.00 15.00 O ATOM 716 CB GLU B 231 8.322 6.505 -4.433 1.00 15.00 C ATOM 717 CG GLU B 231 8.207 5.126 -5.081 1.00 15.00 C ATOM 718 CD GLU B 231 9.544 4.632 -5.584 1.00 15.00 C ATOM 719 OE1 GLU B 231 10.239 5.392 -6.292 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 9.929 3.497 -5.242 1.00 15.00 O ATOM 0 H GLU B 231 6.756 5.136 -2.815 1.00 15.00 H new ATOM 0 HA GLU B 231 7.292 8.003 -3.342 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.576 7.230 -5.206 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.152 6.487 -3.727 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.805 4.416 -4.358 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.500 5.171 -5.910 1.00 15.00 H new