USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 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 303 ASN : amide:sc= 1.05 K(o=3.2,f=1) USER MOD Set 1.2: A 305 THR OG1 : rot 85:sc= 2.13 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot 180:sc= -0.0805 USER MOD Single : A 293 SER OG : rot -26:sc= 0.766 USER MOD Single : A 297 TYR OH : rot 30:sc= 0 USER MOD Single : A 301 HIS : no HE2:sc= -14.7! C(o=-15!,f=-8.5!) USER MOD Single : A 302 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 306 THR OG1 : rot -163:sc= 1.24 USER MOD Single : A 307 GLN : amide:sc= 1.09 K(o=1.1,f=-0.024) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.056 6.524 3.140 1.00 15.00 N ATOM 44 CA LEU A 282 -7.737 5.985 3.442 1.00 15.00 C ATOM 45 C LEU A 282 -7.513 6.001 4.957 1.00 15.00 C ATOM 46 O LEU A 282 -7.528 7.066 5.578 1.00 15.00 O ATOM 47 CB LEU A 282 -6.662 6.822 2.738 1.00 15.00 C ATOM 48 CG LEU A 282 -5.240 6.255 2.787 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.122 5.023 1.904 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.230 7.310 2.366 1.00 15.00 C ATOM 0 HA LEU A 282 -7.672 4.958 3.084 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -6.949 6.944 1.694 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -6.652 7.817 3.184 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.025 5.962 3.815 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.104 4.636 1.953 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.818 4.259 2.251 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.359 5.289 0.874 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.225 6.889 2.407 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.446 7.635 1.348 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.293 8.164 3.040 1.00 15.00 H new ATOM 62 N PRO A 283 -7.334 4.820 5.571 1.00 15.00 N ATOM 63 CA PRO A 283 -7.159 4.686 7.029 1.00 15.00 C ATOM 64 C PRO A 283 -5.865 5.341 7.545 1.00 15.00 C ATOM 65 O PRO A 283 -4.904 5.502 6.790 1.00 15.00 O ATOM 66 CB PRO A 283 -7.106 3.167 7.243 1.00 15.00 C ATOM 67 CG PRO A 283 -7.686 2.574 6.005 1.00 15.00 C ATOM 68 CD PRO A 283 -7.304 3.511 4.901 1.00 15.00 C ATOM 0 HA PRO A 283 -7.960 5.187 7.573 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.082 2.827 7.399 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.677 2.874 8.124 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.292 1.574 5.826 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.769 2.480 6.084 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.317 3.283 4.499 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.006 3.465 4.068 1.00 15.00 H new ATOM 76 N PRO A 284 -5.805 5.701 8.848 1.00 15.00 N ATOM 77 CA PRO A 284 -4.617 6.332 9.441 1.00 15.00 C ATOM 78 C PRO A 284 -3.425 5.379 9.507 1.00 15.00 C ATOM 79 O PRO A 284 -3.551 4.241 9.960 1.00 15.00 O ATOM 80 CB PRO A 284 -5.059 6.709 10.863 1.00 15.00 C ATOM 81 CG PRO A 284 -6.540 6.544 10.888 1.00 15.00 C ATOM 82 CD PRO A 284 -6.871 5.514 9.852 1.00 15.00 C ATOM 0 HA PRO A 284 -4.285 7.182 8.846 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.582 6.067 11.603 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.776 7.734 11.101 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.878 6.225 11.874 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.039 7.488 10.670 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -6.862 4.506 10.267 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.861 5.674 9.425 1.00 15.00 H new ATOM 90 N GLY A 285 -2.266 5.855 9.071 1.00 15.00 N ATOM 91 CA GLY A 285 -1.069 5.033 9.100 1.00 15.00 C ATOM 92 C GLY A 285 -0.841 4.309 7.792 1.00 15.00 C ATOM 93 O GLY A 285 0.137 3.571 7.640 1.00 15.00 O ATOM 0 H GLY A 285 -2.132 6.795 8.698 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.205 5.660 9.322 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.150 4.305 9.907 1.00 15.00 H new ATOM 97 N TRP A 286 -1.736 4.535 6.842 1.00 15.00 N ATOM 98 CA TRP A 286 -1.648 3.886 5.546 1.00 15.00 C ATOM 99 C TRP A 286 -0.832 4.709 4.582 1.00 15.00 C ATOM 100 O TRP A 286 -1.284 5.744 4.088 1.00 15.00 O ATOM 101 CB TRP A 286 -3.042 3.645 4.950 1.00 15.00 C ATOM 102 CG TRP A 286 -3.692 2.404 5.458 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.852 2.049 6.766 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.256 1.340 4.676 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.463 0.828 6.851 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.719 0.368 5.589 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.416 1.099 3.297 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.318 -0.818 5.181 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.004 -0.087 2.908 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.445 -1.032 3.840 1.00 15.00 C ATOM 0 H TRP A 286 -2.532 5.164 6.946 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.157 2.925 5.701 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.679 4.500 5.176 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.961 3.586 3.865 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.541 2.645 7.611 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.691 0.339 7.717 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.088 1.822 2.565 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.670 -1.543 5.899 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.127 -0.291 1.855 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.895 -1.950 3.491 1.00 15.00 H new ATOM 121 N GLU A 287 0.379 4.260 4.328 1.00 15.00 N ATOM 122 CA GLU A 287 1.173 4.836 3.280 1.00 15.00 C ATOM 123 C GLU A 287 0.881 4.077 2.002 1.00 15.00 C ATOM 124 O GLU A 287 1.067 2.863 1.922 1.00 15.00 O ATOM 125 CB GLU A 287 2.658 4.805 3.638 1.00 15.00 C ATOM 126 CG GLU A 287 3.172 6.118 4.210 1.00 15.00 C ATOM 127 CD GLU A 287 2.407 6.583 5.431 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.513 5.926 6.490 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.723 7.625 5.342 1.00 15.00 O1- ATOM 0 H GLU A 287 0.829 3.498 4.836 1.00 15.00 H new ATOM 0 HA GLU A 287 0.916 5.886 3.143 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.832 4.009 4.362 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.233 4.556 2.746 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.224 6.005 4.471 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.116 6.888 3.440 1.00 15.00 H new ATOM 136 N VAL A 288 0.389 4.787 1.017 1.00 15.00 N ATOM 137 CA VAL A 288 -0.041 4.174 -0.217 1.00 15.00 C ATOM 138 C VAL A 288 1.120 4.112 -1.197 1.00 15.00 C ATOM 139 O VAL A 288 1.551 5.130 -1.743 1.00 15.00 O ATOM 140 CB VAL A 288 -1.251 4.943 -0.809 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.072 6.447 -0.672 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.487 4.574 -2.263 1.00 15.00 C ATOM 0 H VAL A 288 0.275 5.800 1.046 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.367 3.153 -0.018 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.129 4.647 -0.235 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -1.937 6.957 -1.096 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -0.978 6.708 0.382 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.172 6.756 -1.203 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.342 5.131 -2.646 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.602 4.820 -2.849 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.687 3.505 -2.339 1.00 15.00 H new ATOM 152 N ARG A 289 1.661 2.913 -1.396 1.00 15.00 N ATOM 153 CA ARG A 289 2.808 2.763 -2.254 1.00 15.00 C ATOM 154 C ARG A 289 2.310 2.252 -3.604 1.00 15.00 C ATOM 155 O ARG A 289 2.081 1.067 -3.792 1.00 15.00 O ATOM 156 CB ARG A 289 3.835 1.823 -1.585 1.00 15.00 C ATOM 157 CG ARG A 289 5.295 2.303 -1.594 1.00 15.00 C ATOM 158 CD ARG A 289 5.850 2.533 -2.994 1.00 15.00 C ATOM 159 NE ARG A 289 5.350 3.777 -3.577 1.00 15.00 N ATOM 160 CZ ARG A 289 4.940 3.888 -4.830 1.00 15.00 C ATOM 161 NH1 ARG A 289 5.279 2.974 -5.716 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 4.253 4.951 -5.218 1.00 15.00 N ATOM 0 H ARG A 289 1.321 2.048 -0.976 1.00 15.00 H new ATOM 0 HA ARG A 289 3.324 3.709 -2.417 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.532 1.664 -0.550 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.789 0.854 -2.083 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.368 3.230 -1.026 1.00 15.00 H new ATOM 0 HG3 ARG A 289 5.915 1.566 -1.083 1.00 15.00 H new ATOM 0 HD2 ARG A 289 6.939 2.562 -2.953 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.577 1.695 -3.636 1.00 15.00 H new ATOM 0 HE ARG A 289 5.315 4.606 -2.984 1.00 15.00 H new ATOM 0 HH11 ARG A 289 5.857 2.182 -5.436 1.00 15.00 H new ATOM 0 HH12 ARG A 289 4.963 3.059 -6.682 1.00 15.00 H new ATOM 0 HH21 ARG A 289 4.037 5.690 -4.550 1.00 15.00 H new ATOM 0 HH22 ARG A 289 3.940 5.031 -6.185 1.00 15.00 H new ATOM 176 N SER A 290 2.046 3.178 -4.515 1.00 15.00 N ATOM 177 CA SER A 290 1.420 2.839 -5.786 1.00 15.00 C ATOM 178 C SER A 290 2.438 2.884 -6.921 1.00 15.00 C ATOM 179 O SER A 290 2.914 3.957 -7.295 1.00 15.00 O ATOM 180 CB SER A 290 0.287 3.824 -6.053 1.00 15.00 C ATOM 181 OG SER A 290 -0.415 3.515 -7.245 1.00 15.00 O ATOM 0 H SER A 290 2.255 4.169 -4.398 1.00 15.00 H new ATOM 0 HA SER A 290 1.024 1.825 -5.734 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.406 3.816 -5.212 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.693 4.833 -6.122 1.00 15.00 H new ATOM 0 HG SER A 290 -1.133 4.168 -7.380 1.00 15.00 H new ATOM 187 N THR A 291 2.790 1.729 -7.461 1.00 15.00 N ATOM 188 CA THR A 291 3.849 1.663 -8.452 1.00 15.00 C ATOM 189 C THR A 291 3.305 1.829 -9.871 1.00 15.00 C ATOM 190 O THR A 291 2.213 1.337 -10.200 1.00 15.00 O ATOM 191 CB THR A 291 4.648 0.349 -8.330 1.00 15.00 C ATOM 192 OG1 THR A 291 3.761 -0.774 -8.414 1.00 15.00 O ATOM 193 CG2 THR A 291 5.402 0.307 -7.003 1.00 15.00 C ATOM 0 H THR A 291 2.362 0.832 -7.232 1.00 15.00 H new ATOM 0 HA THR A 291 4.525 2.495 -8.253 1.00 15.00 H new ATOM 0 HB THR A 291 5.367 0.303 -9.148 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.276 -1.604 -8.337 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.961 -0.626 -6.932 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.093 1.149 -6.950 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.691 0.368 -6.179 1.00 15.00 H new ATOM 201 N VAL A 292 4.091 2.526 -10.701 1.00 15.00 N ATOM 202 CA VAL A 292 3.714 2.850 -12.082 1.00 15.00 C ATOM 203 C VAL A 292 3.474 1.599 -12.919 1.00 15.00 C ATOM 204 O VAL A 292 2.911 1.672 -14.010 1.00 15.00 O ATOM 205 CB VAL A 292 4.782 3.725 -12.777 1.00 15.00 C ATOM 206 CG1 VAL A 292 4.947 5.051 -12.048 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.113 2.991 -12.875 1.00 15.00 C ATOM 0 H VAL A 292 5.009 2.882 -10.433 1.00 15.00 H new ATOM 0 HA VAL A 292 2.782 3.411 -12.014 1.00 15.00 H new ATOM 0 HB VAL A 292 4.440 3.932 -13.791 1.00 15.00 H new ATOM 0 HG11 VAL A 292 5.703 5.652 -12.553 1.00 15.00 H new ATOM 0 HG12 VAL A 292 3.998 5.587 -12.048 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.258 4.865 -11.020 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.845 3.630 -13.368 1.00 15.00 H new ATOM 0 HG22 VAL A 292 6.465 2.741 -11.874 1.00 15.00 H new ATOM 0 HG23 VAL A 292 5.982 2.076 -13.453 1.00 15.00 H new ATOM 217 N SER A 293 3.920 0.456 -12.408 1.00 15.00 N ATOM 218 CA SER A 293 3.664 -0.829 -13.042 1.00 15.00 C ATOM 219 C SER A 293 2.155 -1.087 -13.144 1.00 15.00 C ATOM 220 O SER A 293 1.715 -1.978 -13.870 1.00 15.00 O ATOM 221 CB SER A 293 4.356 -1.956 -12.269 1.00 15.00 C ATOM 222 OG SER A 293 4.231 -3.194 -12.948 1.00 15.00 O ATOM 0 H SER A 293 4.465 0.396 -11.548 1.00 15.00 H new ATOM 0 HA SER A 293 4.075 -0.805 -14.051 1.00 15.00 H new ATOM 0 HB2 SER A 293 5.411 -1.716 -12.137 1.00 15.00 H new ATOM 0 HB3 SER A 293 3.920 -2.039 -11.273 1.00 15.00 H new ATOM 0 HG SER A 293 3.426 -3.181 -13.506 1.00 15.00 H new ATOM 228 N GLY A 294 1.373 -0.305 -12.402 1.00 15.00 N ATOM 229 CA GLY A 294 -0.068 -0.444 -12.436 1.00 15.00 C ATOM 230 C GLY A 294 -0.583 -1.413 -11.399 1.00 15.00 C ATOM 231 O GLY A 294 -1.418 -2.269 -11.693 1.00 15.00 O ATOM 0 H GLY A 294 1.717 0.424 -11.777 1.00 15.00 H new ATOM 0 HA2 GLY A 294 -0.527 0.532 -12.276 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.373 -0.781 -13.426 1.00 15.00 H new ATOM 235 N ARG A 295 -0.067 -1.294 -10.183 1.00 15.00 N ATOM 236 CA ARG A 295 -0.557 -2.101 -9.069 1.00 15.00 C ATOM 237 C ARG A 295 -0.433 -1.333 -7.761 1.00 15.00 C ATOM 238 O ARG A 295 0.588 -0.698 -7.496 1.00 15.00 O ATOM 239 CB ARG A 295 0.184 -3.451 -8.978 1.00 15.00 C ATOM 240 CG ARG A 295 1.697 -3.352 -9.112 1.00 15.00 C ATOM 241 CD ARG A 295 2.191 -4.138 -10.316 1.00 15.00 C ATOM 242 NE ARG A 295 2.762 -5.436 -9.960 1.00 15.00 N ATOM 243 CZ ARG A 295 3.518 -6.172 -10.784 1.00 15.00 C ATOM 244 NH1 ARG A 295 3.859 -5.711 -11.982 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 3.946 -7.365 -10.399 1.00 15.00 N ATOM 0 H ARG A 295 0.687 -0.651 -9.942 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.610 -2.315 -9.252 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.053 -3.917 -8.022 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.194 -4.112 -9.758 1.00 15.00 H new ATOM 0 HG2 ARG A 295 1.989 -2.307 -9.211 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.171 -3.731 -8.207 1.00 15.00 H new ATOM 0 HD2 ARG A 295 1.362 -4.290 -11.008 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.942 -3.550 -10.843 1.00 15.00 H new ATOM 0 HE ARG A 295 2.573 -5.803 -9.027 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.545 -4.788 -12.282 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.435 -6.280 -12.602 1.00 15.00 H new ATOM 0 HH21 ARG A 295 3.699 -7.722 -9.476 1.00 15.00 H new ATOM 0 HH22 ARG A 295 4.522 -7.927 -11.026 1.00 15.00 H new ATOM 259 N ILE A 296 -1.480 -1.400 -6.948 1.00 15.00 N ATOM 260 CA ILE A 296 -1.454 -0.794 -5.629 1.00 15.00 C ATOM 261 C ILE A 296 -0.932 -1.815 -4.636 1.00 15.00 C ATOM 262 O ILE A 296 -1.255 -2.997 -4.732 1.00 15.00 O ATOM 263 CB ILE A 296 -2.860 -0.301 -5.171 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.767 0.436 -3.838 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.851 -1.445 -5.038 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.134 1.791 -3.954 1.00 15.00 C ATOM 0 H ILE A 296 -2.356 -1.868 -7.181 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.804 0.080 -5.674 1.00 15.00 H new ATOM 0 HB ILE A 296 -3.220 0.378 -5.944 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -3.768 0.544 -3.420 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.192 -0.168 -3.136 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.817 -1.054 -4.717 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.963 -1.943 -6.001 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.485 -2.159 -4.301 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.098 2.261 -2.971 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -1.121 1.687 -4.344 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -2.722 2.410 -4.632 1.00 15.00 H new ATOM 278 N TYR A 297 -0.108 -1.375 -3.705 1.00 15.00 N ATOM 279 CA TYR A 297 0.415 -2.279 -2.712 1.00 15.00 C ATOM 280 C TYR A 297 0.662 -1.475 -1.462 1.00 15.00 C ATOM 281 O TYR A 297 1.294 -0.397 -1.476 1.00 15.00 O ATOM 282 CB TYR A 297 1.652 -3.082 -3.196 1.00 15.00 C ATOM 283 CG TYR A 297 3.025 -2.485 -2.957 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.475 -1.380 -3.660 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.889 -3.071 -2.033 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.740 -0.866 -3.445 1.00 15.00 C ATOM 287 CE2 TYR A 297 5.154 -2.562 -1.812 1.00 15.00 C ATOM 288 CZ TYR A 297 5.574 -1.458 -2.521 1.00 15.00 C ATOM 289 OH TYR A 297 6.829 -0.937 -2.305 1.00 15.00 O ATOM 0 H TYR A 297 0.208 -0.409 -3.619 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.313 -3.063 -2.504 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.625 -4.060 -2.715 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.543 -3.250 -4.267 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.828 -0.913 -4.387 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.563 -3.939 -1.480 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.074 -0.002 -4.000 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.809 -3.026 -1.089 1.00 15.00 H new ATOM 0 HH TYR A 297 6.815 0.029 -2.470 1.00 15.00 H new ATOM 299 N PHE A 298 0.076 -1.939 -0.399 1.00 15.00 N ATOM 300 CA PHE A 298 0.032 -1.166 0.782 1.00 15.00 C ATOM 301 C PHE A 298 1.156 -1.403 1.710 1.00 15.00 C ATOM 302 O PHE A 298 1.517 -2.532 2.011 1.00 15.00 O ATOM 303 CB PHE A 298 -1.271 -1.353 1.477 1.00 15.00 C ATOM 304 CG PHE A 298 -2.088 -0.192 1.170 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.737 1.029 1.704 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.166 -0.288 0.324 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.459 2.139 1.412 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.894 0.826 0.028 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.539 2.030 0.578 1.00 15.00 C ATOM 0 H PHE A 298 -0.376 -2.851 -0.336 1.00 15.00 H new ATOM 0 HA PHE A 298 0.135 -0.130 0.460 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.759 -2.268 1.141 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.124 -1.447 2.553 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.882 1.102 2.359 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.436 -1.242 -0.105 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.186 3.096 1.832 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.744 0.760 -0.635 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.122 2.910 0.349 1.00 15.00 H new ATOM 319 N VAL A 299 1.639 -0.298 2.206 1.00 15.00 N ATOM 320 CA VAL A 299 2.734 -0.277 3.110 1.00 15.00 C ATOM 321 C VAL A 299 2.344 0.587 4.308 1.00 15.00 C ATOM 322 O VAL A 299 2.520 1.806 4.334 1.00 15.00 O ATOM 323 CB VAL A 299 3.996 0.253 2.387 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.434 -0.713 1.288 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.724 1.615 1.770 1.00 15.00 C ATOM 0 H VAL A 299 1.269 0.626 1.983 1.00 15.00 H new ATOM 0 HA VAL A 299 2.971 -1.279 3.468 1.00 15.00 H new ATOM 0 HB VAL A 299 4.791 0.341 3.127 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.322 -0.322 0.792 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.662 -1.684 1.727 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.631 -0.823 0.559 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.622 1.972 1.266 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.912 1.532 1.048 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.443 2.319 2.553 1.00 15.00 H new ATOM 335 N ASP A 300 1.758 -0.055 5.291 1.00 15.00 N ATOM 336 CA ASP A 300 1.291 0.648 6.467 1.00 15.00 C ATOM 337 C ASP A 300 2.381 0.622 7.522 1.00 15.00 C ATOM 338 O ASP A 300 2.853 -0.445 7.918 1.00 15.00 O ATOM 339 CB ASP A 300 -0.039 0.040 6.959 1.00 15.00 C ATOM 340 CG ASP A 300 -0.064 -0.262 8.445 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.055 0.685 9.254 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.089 -1.454 8.808 1.00 15.00 O ATOM 0 H ASP A 300 1.592 -1.061 5.302 1.00 15.00 H new ATOM 0 HA ASP A 300 1.083 1.692 6.232 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.851 0.729 6.724 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.232 -0.880 6.408 1.00 15.00 H new ATOM 347 N HIS A 301 2.818 1.804 7.940 1.00 15.00 N ATOM 348 CA HIS A 301 3.928 1.900 8.875 1.00 15.00 C ATOM 349 C HIS A 301 3.412 1.862 10.313 1.00 15.00 C ATOM 350 O HIS A 301 4.194 1.798 11.262 1.00 15.00 O ATOM 351 CB HIS A 301 4.748 3.187 8.686 1.00 15.00 C ATOM 352 CG HIS A 301 5.123 3.566 7.278 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.224 4.875 6.878 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.537 2.830 6.218 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.686 4.925 5.648 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.895 3.695 5.220 1.00 15.00 N ATOM 0 H HIS A 301 2.425 2.699 7.649 1.00 15.00 H new ATOM 0 HA HIS A 301 4.577 1.047 8.675 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.184 4.013 9.119 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.666 3.090 9.265 1.00 15.00 H new ATOM 0 HD1 HIS A 301 4.978 5.685 7.448 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.577 1.752 6.170 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.865 5.826 5.081 1.00 15.00 H new ATOM 365 N ASN A 302 2.094 1.901 10.460 1.00 15.00 N ATOM 366 CA ASN A 302 1.461 1.970 11.772 1.00 15.00 C ATOM 367 C ASN A 302 1.342 0.576 12.382 1.00 15.00 C ATOM 368 O ASN A 302 1.943 0.284 13.417 1.00 15.00 O ATOM 369 CB ASN A 302 0.078 2.623 11.643 1.00 15.00 C ATOM 370 CG ASN A 302 -0.649 2.772 12.967 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.033 2.953 14.018 1.00 15.00 O ATOM 372 ND2 ASN A 302 -1.971 2.714 12.917 1.00 15.00 N ATOM 0 H ASN A 302 1.437 1.886 9.680 1.00 15.00 H new ATOM 0 HA ASN A 302 2.079 2.577 12.434 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.191 3.607 11.187 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.535 2.027 10.967 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -2.519 2.821 13.771 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -2.441 2.562 12.025 1.00 15.00 H new ATOM 379 N ASN A 303 0.581 -0.288 11.727 1.00 15.00 N ATOM 380 CA ASN A 303 0.401 -1.656 12.203 1.00 15.00 C ATOM 381 C ASN A 303 1.427 -2.592 11.569 1.00 15.00 C ATOM 382 O ASN A 303 1.638 -3.708 12.049 1.00 15.00 O ATOM 383 CB ASN A 303 -1.029 -2.140 11.922 1.00 15.00 C ATOM 384 CG ASN A 303 -1.292 -3.553 12.422 1.00 15.00 C ATOM 385 OD1 ASN A 303 -1.582 -3.762 13.602 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.227 -4.528 11.526 1.00 15.00 N ATOM 0 H ASN A 303 0.079 -0.069 10.867 1.00 15.00 H new ATOM 0 HA ASN A 303 0.559 -1.666 13.281 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.736 -1.457 12.393 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.215 -2.101 10.849 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.420 -5.490 11.804 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.984 -4.316 10.558 1.00 15.00 H new ATOM 393 N ARG A 304 2.076 -2.114 10.505 1.00 15.00 N ATOM 394 CA ARG A 304 3.000 -2.918 9.710 1.00 15.00 C ATOM 395 C ARG A 304 2.229 -3.996 8.955 1.00 15.00 C ATOM 396 O ARG A 304 2.110 -5.141 9.403 1.00 15.00 O ATOM 397 CB ARG A 304 4.125 -3.526 10.565 1.00 15.00 C ATOM 398 CG ARG A 304 5.032 -4.478 9.802 1.00 15.00 C ATOM 399 CD ARG A 304 6.146 -5.016 10.680 1.00 15.00 C ATOM 400 NE ARG A 304 6.885 -6.090 10.021 1.00 15.00 N ATOM 401 CZ ARG A 304 7.896 -6.756 10.579 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.332 -6.424 11.790 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 8.476 -7.749 9.915 1.00 15.00 N ATOM 0 H ARG A 304 1.974 -1.155 10.172 1.00 15.00 H new ATOM 0 HA ARG A 304 3.485 -2.261 8.988 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.729 -2.719 10.981 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.681 -4.058 11.406 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.443 -5.308 9.412 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.462 -3.962 8.944 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.831 -4.207 10.935 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.726 -5.385 11.616 1.00 15.00 H new ATOM 0 HE ARG A 304 6.610 -6.347 9.073 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.893 -5.656 12.297 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.106 -6.937 12.212 1.00 15.00 H new ATOM 0 HH21 ARG A 304 8.148 -7.999 8.982 1.00 15.00 H new ATOM 0 HH22 ARG A 304 9.250 -8.262 10.338 1.00 15.00 H new ATOM 417 N THR A 305 1.647 -3.594 7.836 1.00 15.00 N ATOM 418 CA THR A 305 0.821 -4.482 7.043 1.00 15.00 C ATOM 419 C THR A 305 0.980 -4.176 5.558 1.00 15.00 C ATOM 420 O THR A 305 1.028 -3.009 5.159 1.00 15.00 O ATOM 421 CB THR A 305 -0.668 -4.328 7.425 1.00 15.00 C ATOM 422 OG1 THR A 305 -0.789 -3.983 8.813 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.434 -5.614 7.154 1.00 15.00 C ATOM 0 H THR A 305 1.734 -2.651 7.457 1.00 15.00 H new ATOM 0 HA THR A 305 1.145 -5.503 7.244 1.00 15.00 H new ATOM 0 HB THR A 305 -1.093 -3.532 6.813 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.704 -3.012 8.917 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.480 -5.480 7.431 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.368 -5.860 6.094 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.004 -6.425 7.742 1.00 15.00 H new ATOM 431 N THR A 306 1.077 -5.219 4.747 1.00 15.00 N ATOM 432 CA THR A 306 1.113 -5.060 3.305 1.00 15.00 C ATOM 433 C THR A 306 -0.160 -5.638 2.693 1.00 15.00 C ATOM 434 O THR A 306 -0.451 -6.821 2.859 1.00 15.00 O ATOM 435 CB THR A 306 2.343 -5.750 2.689 1.00 15.00 C ATOM 436 OG1 THR A 306 3.513 -5.458 3.464 1.00 15.00 O ATOM 437 CG2 THR A 306 2.556 -5.277 1.260 1.00 15.00 C ATOM 0 H THR A 306 1.132 -6.186 5.066 1.00 15.00 H new ATOM 0 HA THR A 306 1.181 -3.994 3.086 1.00 15.00 H new ATOM 0 HB THR A 306 2.168 -6.826 2.688 1.00 15.00 H new ATOM 0 HG1 THR A 306 4.314 -5.665 2.938 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.430 -5.774 0.839 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.677 -5.519 0.662 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.714 -4.199 1.253 1.00 15.00 H new ATOM 445 N GLN A 307 -0.923 -4.802 2.001 1.00 15.00 N ATOM 446 CA GLN A 307 -2.239 -5.207 1.491 1.00 15.00 C ATOM 447 C GLN A 307 -2.401 -4.851 0.013 1.00 15.00 C ATOM 448 O GLN A 307 -2.030 -3.765 -0.408 1.00 15.00 O ATOM 449 CB GLN A 307 -3.346 -4.521 2.304 1.00 15.00 C ATOM 450 CG GLN A 307 -3.361 -4.905 3.775 1.00 15.00 C ATOM 451 CD GLN A 307 -3.839 -6.326 4.010 1.00 15.00 C ATOM 452 OE1 GLN A 307 -5.027 -6.566 4.205 1.00 15.00 O ATOM 453 NE2 GLN A 307 -2.919 -7.276 3.987 1.00 15.00 N ATOM 0 H GLN A 307 -0.660 -3.842 1.777 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.317 -6.289 1.593 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.226 -3.441 2.222 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.312 -4.769 1.864 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.357 -4.792 4.185 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.007 -4.215 4.319 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -1.942 -7.036 3.822 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.187 -8.249 4.135 1.00 15.00 H new ATOM 462 N PHE A 308 -2.974 -5.760 -0.768 1.00 15.00 N ATOM 463 CA PHE A 308 -3.239 -5.484 -2.182 1.00 15.00 C ATOM 464 C PHE A 308 -4.631 -4.898 -2.394 1.00 15.00 C ATOM 465 O PHE A 308 -4.940 -4.385 -3.466 1.00 15.00 O ATOM 466 CB PHE A 308 -3.055 -6.733 -3.045 1.00 15.00 C ATOM 467 CG PHE A 308 -1.643 -6.918 -3.507 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.981 -5.881 -4.142 1.00 15.00 C ATOM 469 CD2 PHE A 308 -0.979 -8.112 -3.316 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.320 -6.027 -4.576 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.318 -8.263 -3.745 1.00 15.00 C ATOM 472 CZ PHE A 308 0.971 -7.222 -4.376 1.00 15.00 C ATOM 0 H PHE A 308 -3.263 -6.686 -0.454 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.507 -4.740 -2.496 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.364 -7.610 -2.477 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.711 -6.669 -3.913 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.492 -4.943 -4.300 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.481 -8.933 -2.826 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.824 -5.209 -5.069 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.830 -9.201 -3.588 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.990 -7.346 -4.711 1.00 15.00 H new ATOM 482 N THR A 309 -5.476 -5.008 -1.384 1.00 15.00 N ATOM 483 CA THR A 309 -6.816 -4.456 -1.457 1.00 15.00 C ATOM 484 C THR A 309 -6.807 -2.985 -1.038 1.00 15.00 C ATOM 485 O THR A 309 -6.540 -2.664 0.121 1.00 15.00 O ATOM 486 CB THR A 309 -7.776 -5.255 -0.557 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.633 -6.657 -0.830 1.00 15.00 O ATOM 488 CG2 THR A 309 -9.221 -4.836 -0.787 1.00 15.00 C ATOM 0 H THR A 309 -5.257 -5.475 -0.504 1.00 15.00 H new ATOM 0 HA THR A 309 -7.163 -4.527 -2.488 1.00 15.00 H new ATOM 0 HB THR A 309 -7.522 -5.050 0.483 1.00 15.00 H new ATOM 0 HG1 THR A 309 -8.243 -7.166 -0.256 1.00 15.00 H new ATOM 0 HG21 THR A 309 -9.876 -5.417 -0.138 1.00 15.00 H new ATOM 0 HG22 THR A 309 -9.333 -3.776 -0.560 1.00 15.00 H new ATOM 0 HG23 THR A 309 -9.490 -5.015 -1.828 1.00 15.00 H new ATOM 496 N ASP A 310 -7.080 -2.097 -1.991 1.00 15.00 N ATOM 497 CA ASP A 310 -7.048 -0.663 -1.729 1.00 15.00 C ATOM 498 C ASP A 310 -8.428 -0.128 -1.359 1.00 15.00 C ATOM 499 O ASP A 310 -9.408 -0.352 -2.071 1.00 15.00 O ATOM 500 CB ASP A 310 -6.476 0.096 -2.935 1.00 15.00 C ATOM 501 CG ASP A 310 -6.661 1.599 -2.825 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.056 2.220 -1.932 1.00 15.00 O ATOM 503 OD2 ASP A 310 -7.414 2.167 -3.643 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.325 -2.346 -2.949 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.392 -0.499 -0.874 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.414 -0.129 -3.030 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.959 -0.259 -3.845 1.00 15.00 H new ATOM 508 N PRO A 311 -8.513 0.586 -0.225 1.00 15.00 N ATOM 509 CA PRO A 311 -9.765 1.146 0.285 1.00 15.00 C ATOM 510 C PRO A 311 -10.230 2.385 -0.482 1.00 15.00 C ATOM 511 O PRO A 311 -11.370 2.829 -0.324 1.00 15.00 O ATOM 512 CB PRO A 311 -9.430 1.506 1.732 1.00 15.00 C ATOM 513 CG PRO A 311 -7.970 1.795 1.714 1.00 15.00 C ATOM 514 CD PRO A 311 -7.375 0.892 0.665 1.00 15.00 C ATOM 0 HA PRO A 311 -10.588 0.438 0.182 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.002 2.371 2.069 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.664 0.685 2.410 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -7.784 2.842 1.477 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.524 1.605 2.690 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.567 1.385 0.125 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -6.958 -0.013 1.106 1.00 15.00 H new ATOM 522 N ARG A 312 -9.346 2.975 -1.277 1.00 15.00 N ATOM 523 CA ARG A 312 -9.708 4.156 -2.048 1.00 15.00 C ATOM 524 C ARG A 312 -10.541 3.753 -3.260 1.00 15.00 C ATOM 525 O ARG A 312 -11.462 4.465 -3.659 1.00 15.00 O ATOM 526 CB ARG A 312 -8.470 4.930 -2.505 1.00 15.00 C ATOM 527 CG ARG A 312 -7.454 5.183 -1.404 1.00 15.00 C ATOM 528 CD ARG A 312 -6.319 6.063 -1.900 1.00 15.00 C ATOM 529 NE ARG A 312 -5.812 5.618 -3.197 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.137 6.396 -4.043 1.00 15.00 C ATOM 531 NH1 ARG A 312 -4.797 7.631 -3.695 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -4.796 5.930 -5.238 1.00 15.00 N ATOM 0 H ARG A 312 -8.384 2.659 -1.404 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.294 4.809 -1.401 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -7.986 4.378 -3.311 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -8.786 5.887 -2.920 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -7.944 5.660 -0.555 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.054 4.233 -1.049 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.666 7.093 -1.980 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -5.508 6.056 -1.171 1.00 15.00 H new ATOM 0 HE ARG A 312 -5.986 4.651 -3.472 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.052 7.990 -2.775 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -4.280 8.221 -4.347 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -5.051 4.979 -5.506 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -4.279 6.522 -5.888 1.00 15.00 H new ATOM 546 N LEU A 313 -10.195 2.614 -3.847 1.00 15.00 N ATOM 547 CA LEU A 313 -10.932 2.075 -4.982 1.00 15.00 C ATOM 548 C LEU A 313 -12.131 1.265 -4.509 1.00 15.00 C ATOM 549 O LEU A 313 -13.210 1.857 -4.315 1.00 15.00 O ATOM 550 CB LEU A 313 -10.021 1.201 -5.847 1.00 15.00 C ATOM 551 CG LEU A 313 -8.867 1.935 -6.529 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.990 0.952 -7.288 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.397 3.007 -7.467 1.00 15.00 C ATOM 0 H LEU A 313 -9.403 2.043 -3.553 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.290 2.912 -5.581 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.608 0.408 -5.224 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.628 0.720 -6.614 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.263 2.418 -5.761 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.172 1.490 -7.768 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.583 0.217 -6.594 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.585 0.444 -8.047 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.561 3.519 -7.944 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.023 2.545 -8.231 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.988 3.727 -6.900 1.00 15.00 H new ATOM 566 N ASP B 221 -1.970 -8.990 -7.837 1.00 15.00 N ATOM 567 CA ASP B 221 -0.530 -9.178 -8.127 1.00 15.00 C ATOM 568 C ASP B 221 0.039 -10.285 -7.233 1.00 15.00 C ATOM 569 O ASP B 221 -0.668 -10.817 -6.374 1.00 15.00 O ATOM 570 CB ASP B 221 0.223 -7.847 -7.930 1.00 15.00 C ATOM 571 CG ASP B 221 1.686 -7.928 -8.312 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.041 -8.792 -9.140 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 2.487 -7.126 -7.792 1.00 15.00 O ATOM 0 HA ASP B 221 -0.401 -9.485 -9.165 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.259 -7.072 -8.526 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.143 -7.542 -6.886 1.00 15.00 H new ATOM 578 N THR B 222 1.300 -10.641 -7.458 1.00 15.00 N ATOM 579 CA THR B 222 1.988 -11.673 -6.689 1.00 15.00 C ATOM 580 C THR B 222 2.058 -11.301 -5.212 1.00 15.00 C ATOM 581 O THR B 222 1.957 -10.129 -4.886 1.00 15.00 O ATOM 582 CB THR B 222 3.413 -11.869 -7.236 1.00 15.00 C ATOM 583 OG1 THR B 222 4.102 -10.611 -7.249 1.00 15.00 O ATOM 584 CG2 THR B 222 3.378 -12.439 -8.644 1.00 15.00 C ATOM 0 H THR B 222 1.878 -10.218 -8.185 1.00 15.00 H new ATOM 0 HA THR B 222 1.424 -12.601 -6.786 1.00 15.00 H new ATOM 0 HB THR B 222 3.936 -12.572 -6.588 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.010 -10.739 -7.596 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.397 -12.569 -9.009 1.00 15.00 H new ATOM 0 HG22 THR B 222 2.871 -13.404 -8.633 1.00 15.00 H new ATOM 0 HG23 THR B 222 2.842 -11.754 -9.301 1.00 15.00 H new ATOM 592 N PRO B 223 2.287 -12.283 -4.312 1.00 15.00 N ATOM 593 CA PRO B 223 2.215 -12.072 -2.858 1.00 15.00 C ATOM 594 C PRO B 223 2.997 -10.836 -2.399 1.00 15.00 C ATOM 595 O PRO B 223 4.166 -10.667 -2.755 1.00 15.00 O ATOM 596 CB PRO B 223 2.836 -13.351 -2.268 1.00 15.00 C ATOM 597 CG PRO B 223 3.418 -14.093 -3.426 1.00 15.00 C ATOM 598 CD PRO B 223 2.630 -13.672 -4.629 1.00 15.00 C ATOM 0 HA PRO B 223 1.190 -11.893 -2.532 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.604 -13.110 -1.533 1.00 15.00 H new ATOM 0 HB3 PRO B 223 2.083 -13.952 -1.757 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.475 -13.855 -3.550 1.00 15.00 H new ATOM 0 HG3 PRO B 223 3.349 -15.170 -3.273 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.216 -13.747 -5.545 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.742 -14.288 -4.768 1.00 15.00 H new ATOM 606 N PRO B 224 2.362 -9.960 -1.589 1.00 15.00 N ATOM 607 CA PRO B 224 2.919 -8.644 -1.254 1.00 15.00 C ATOM 608 C PRO B 224 4.215 -8.711 -0.444 1.00 15.00 C ATOM 609 O PRO B 224 4.410 -9.614 0.374 1.00 15.00 O ATOM 610 CB PRO B 224 1.808 -7.973 -0.444 1.00 15.00 C ATOM 611 CG PRO B 224 0.959 -9.077 0.071 1.00 15.00 C ATOM 612 CD PRO B 224 1.060 -10.193 -0.927 1.00 15.00 C ATOM 0 HA PRO B 224 3.200 -8.099 -2.156 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.222 -7.384 0.374 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.228 -7.291 -1.066 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.300 -9.403 1.053 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.075 -8.751 0.185 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.028 -11.168 -0.441 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.238 -10.166 -1.642 1.00 15.00 H new ATOM 620 N PRO B 225 5.104 -7.725 -0.660 1.00 15.00 N ATOM 621 CA PRO B 225 6.414 -7.656 -0.020 1.00 15.00 C ATOM 622 C PRO B 225 6.397 -6.872 1.291 1.00 15.00 C ATOM 623 O PRO B 225 5.352 -6.386 1.720 1.00 15.00 O ATOM 624 CB PRO B 225 7.236 -6.908 -1.068 1.00 15.00 C ATOM 625 CG PRO B 225 6.276 -6.001 -1.757 1.00 15.00 C ATOM 626 CD PRO B 225 4.893 -6.575 -1.559 1.00 15.00 C ATOM 0 HA PRO B 225 6.795 -8.640 0.254 1.00 15.00 H new ATOM 0 HB2 PRO B 225 8.044 -6.343 -0.603 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.696 -7.601 -1.773 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.336 -4.994 -1.345 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.512 -5.926 -2.818 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.217 -5.843 -1.117 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.451 -6.885 -2.506 1.00 15.00 H new ATOM 634 N ALA B 226 7.559 -6.766 1.930 1.00 15.00 N ATOM 635 CA ALA B 226 7.716 -5.922 3.111 1.00 15.00 C ATOM 636 C ALA B 226 7.371 -4.475 2.774 1.00 15.00 C ATOM 637 O ALA B 226 7.482 -4.063 1.618 1.00 15.00 O ATOM 638 CB ALA B 226 9.137 -6.022 3.647 1.00 15.00 C ATOM 0 H ALA B 226 8.408 -7.256 1.649 1.00 15.00 H new ATOM 0 HA ALA B 226 7.031 -6.270 3.884 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.239 -5.388 4.527 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.352 -7.056 3.918 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.839 -5.694 2.880 1.00 15.00 H new ATOM 644 N TYR B 227 6.961 -3.701 3.769 1.00 15.00 N ATOM 645 CA TYR B 227 6.485 -2.350 3.507 1.00 15.00 C ATOM 646 C TYR B 227 7.618 -1.330 3.562 1.00 15.00 C ATOM 647 O TYR B 227 8.550 -1.431 4.367 1.00 15.00 O ATOM 648 CB TYR B 227 5.383 -1.942 4.487 1.00 15.00 C ATOM 649 CG TYR B 227 5.904 -1.543 5.856 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.255 -2.499 6.801 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.066 -0.208 6.192 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.753 -2.128 8.037 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.558 0.169 7.418 1.00 15.00 C ATOM 654 CZ TYR B 227 6.903 -0.790 8.339 1.00 15.00 C ATOM 655 OH TYR B 227 7.397 -0.413 9.567 1.00 15.00 O ATOM 0 H TYR B 227 6.948 -3.979 4.750 1.00 15.00 H new ATOM 0 HA TYR B 227 6.073 -2.359 2.498 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.822 -1.109 4.064 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.684 -2.771 4.601 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.137 -3.547 6.567 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.799 0.553 5.474 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.023 -2.882 8.762 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.673 1.216 7.657 1.00 15.00 H new ATOM 0 HH TYR B 227 7.440 0.565 9.616 1.00 15.00 H new ATOM 665 N LEU B 228 7.500 -0.347 2.695 1.00 15.00 N ATOM 666 CA LEU B 228 8.434 0.760 2.592 1.00 15.00 C ATOM 667 C LEU B 228 7.646 2.056 2.589 1.00 15.00 C ATOM 668 O LEU B 228 6.461 2.044 2.315 1.00 15.00 O ATOM 669 CB LEU B 228 9.289 0.675 1.313 1.00 15.00 C ATOM 670 CG LEU B 228 10.149 -0.583 1.142 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.333 -1.727 0.563 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.348 -0.281 0.256 1.00 15.00 C ATOM 0 H LEU B 228 6.733 -0.292 2.024 1.00 15.00 H new ATOM 0 HA LEU B 228 9.114 0.719 3.443 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.624 0.752 0.453 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.947 1.543 1.285 1.00 15.00 H new ATOM 0 HG LEU B 228 10.506 -0.890 2.125 1.00 15.00 H new ATOM 0 HD11 LEU B 228 9.967 -2.607 0.452 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.505 -1.959 1.233 1.00 15.00 H new ATOM 0 HD13 LEU B 228 8.941 -1.437 -0.412 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.952 -1.181 0.141 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.003 0.051 -0.723 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.950 0.504 0.714 1.00 15.00 H new ATOM 684 N PRO B 229 8.261 3.197 2.880 1.00 15.00 N ATOM 685 CA PRO B 229 7.541 4.459 2.811 1.00 15.00 C ATOM 686 C PRO B 229 7.623 5.014 1.394 1.00 15.00 C ATOM 687 O PRO B 229 8.653 4.901 0.731 1.00 15.00 O ATOM 688 CB PRO B 229 8.315 5.365 3.783 1.00 15.00 C ATOM 689 CG PRO B 229 9.346 4.489 4.423 1.00 15.00 C ATOM 690 CD PRO B 229 9.582 3.354 3.472 1.00 15.00 C ATOM 0 HA PRO B 229 6.484 4.373 3.062 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.782 6.197 3.255 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.649 5.796 4.531 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.268 5.042 4.605 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.999 4.122 5.389 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.340 3.593 2.727 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.913 2.451 3.984 1.00 15.00 H new ATOM 698 N PRO B 230 6.539 5.655 0.918 1.00 15.00 N ATOM 699 CA PRO B 230 6.136 5.545 -0.477 1.00 15.00 C ATOM 700 C PRO B 230 6.739 6.572 -1.421 1.00 15.00 C ATOM 701 O PRO B 230 6.820 7.759 -1.116 1.00 15.00 O ATOM 702 CB PRO B 230 4.630 5.755 -0.364 1.00 15.00 C ATOM 703 CG PRO B 230 4.464 6.749 0.740 1.00 15.00 C ATOM 704 CD PRO B 230 5.651 6.586 1.657 1.00 15.00 C ATOM 0 HA PRO B 230 6.469 4.603 -0.912 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.212 6.129 -1.299 1.00 15.00 H new ATOM 0 HB3 PRO B 230 4.117 4.821 -0.136 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.419 7.763 0.343 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.533 6.576 1.279 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.142 7.540 1.850 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.357 6.177 2.624 1.00 15.00 H new ATOM 712 N GLU B 231 7.128 6.088 -2.595 1.00 15.00 N ATOM 713 CA GLU B 231 7.628 6.950 -3.649 1.00 15.00 C ATOM 714 C GLU B 231 6.463 7.412 -4.529 1.00 15.00 C ATOM 715 O GLU B 231 6.037 6.702 -5.424 1.00 15.00 O ATOM 716 CB GLU B 231 8.641 6.142 -4.476 1.00 15.00 C ATOM 717 CG GLU B 231 8.082 4.816 -5.025 1.00 15.00 C ATOM 718 CD GLU B 231 9.167 3.819 -5.359 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.544 3.033 -4.472 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 9.633 3.810 -6.517 1.00 15.00 O ATOM 0 H GLU B 231 7.105 5.098 -2.837 1.00 15.00 H new ATOM 0 HA GLU B 231 8.110 7.834 -3.232 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.984 6.754 -5.311 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.513 5.929 -3.857 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.407 4.379 -4.289 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.492 5.018 -5.919 1.00 15.00 H new