USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 292 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 301 HIS : no HD1:sc= 0.35 K(o=1.1,f=-9.5!) USER MOD Set 1.2: B 211 TYR OH : rot 36:sc= 0.771 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -130:sc= -0.739 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 1.19 K(o=1.2,f=-0.19) USER MOD Single : A 303 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -154:sc= 0.873 USER MOD Single : A 307 GLN : amide:sc= -0.0655 X(o=-0.065,f=-0.22) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 9.073 5.206 -6.186 1.00 15.00 N ATOM 44 CA PRO A 283 8.418 5.603 -7.436 1.00 15.00 C ATOM 45 C PRO A 283 7.032 6.195 -7.191 1.00 15.00 C ATOM 46 O PRO A 283 6.281 5.703 -6.349 1.00 15.00 O ATOM 47 CB PRO A 283 8.300 4.291 -8.221 1.00 15.00 C ATOM 48 CG PRO A 283 9.230 3.339 -7.552 1.00 15.00 C ATOM 49 CD PRO A 283 9.275 3.753 -6.113 1.00 15.00 C ATOM 0 HA PRO A 283 8.981 6.376 -7.960 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.277 3.916 -8.206 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.571 4.434 -9.267 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.877 2.313 -7.652 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.222 3.381 -8.002 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.496 3.265 -5.527 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.228 3.500 -5.649 1.00 15.00 H new ATOM 57 N PRO A 284 6.659 7.235 -7.954 1.00 15.00 N ATOM 58 CA PRO A 284 5.371 7.929 -7.794 1.00 15.00 C ATOM 59 C PRO A 284 4.164 7.041 -8.110 1.00 15.00 C ATOM 60 O PRO A 284 3.016 7.460 -7.958 1.00 15.00 O ATOM 61 CB PRO A 284 5.458 9.088 -8.792 1.00 15.00 C ATOM 62 CG PRO A 284 6.478 8.662 -9.790 1.00 15.00 C ATOM 63 CD PRO A 284 7.469 7.826 -9.033 1.00 15.00 C ATOM 0 HA PRO A 284 5.217 8.244 -6.762 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.494 9.273 -9.267 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.752 10.014 -8.297 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.020 8.090 -10.597 1.00 15.00 H new ATOM 0 HG3 PRO A 284 6.963 9.525 -10.246 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.916 7.060 -9.666 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.286 8.430 -8.638 1.00 15.00 H new ATOM 71 N GLY A 285 4.432 5.827 -8.574 1.00 15.00 N ATOM 72 CA GLY A 285 3.369 4.871 -8.816 1.00 15.00 C ATOM 73 C GLY A 285 2.986 4.130 -7.551 1.00 15.00 C ATOM 74 O GLY A 285 1.915 3.523 -7.471 1.00 15.00 O ATOM 0 H GLY A 285 5.370 5.487 -8.788 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.496 5.389 -9.213 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.688 4.156 -9.575 1.00 15.00 H new ATOM 78 N TRP A 286 3.863 4.198 -6.557 1.00 15.00 N ATOM 79 CA TRP A 286 3.619 3.568 -5.272 1.00 15.00 C ATOM 80 C TRP A 286 2.907 4.535 -4.346 1.00 15.00 C ATOM 81 O TRP A 286 3.511 5.485 -3.840 1.00 15.00 O ATOM 82 CB TRP A 286 4.937 3.076 -4.650 1.00 15.00 C ATOM 83 CG TRP A 286 5.329 1.733 -5.174 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.644 1.422 -6.466 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.407 0.509 -4.433 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.883 0.077 -6.581 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.740 -0.508 -5.352 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.221 0.163 -3.086 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.876 -1.840 -4.975 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.349 -1.162 -2.727 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.666 -2.151 -3.663 1.00 15.00 C ATOM 0 H TRP A 286 4.755 4.688 -6.621 1.00 15.00 H new ATOM 0 HA TRP A 286 2.977 2.700 -5.422 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.729 3.794 -4.861 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.832 3.027 -3.566 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.697 2.132 -7.278 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.128 -0.409 -7.443 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.984 0.916 -2.349 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.138 -2.601 -5.695 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.200 -1.444 -1.695 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.746 -3.179 -3.342 1.00 15.00 H new ATOM 102 N GLU A 287 1.610 4.320 -4.152 1.00 15.00 N ATOM 103 CA GLU A 287 0.832 5.194 -3.302 1.00 15.00 C ATOM 104 C GLU A 287 0.871 4.665 -1.871 1.00 15.00 C ATOM 105 O GLU A 287 0.366 3.576 -1.579 1.00 15.00 O ATOM 106 CB GLU A 287 -0.592 5.298 -3.846 1.00 15.00 C ATOM 107 CG GLU A 287 -1.567 6.018 -2.931 1.00 15.00 C ATOM 108 CD GLU A 287 -1.238 7.488 -2.783 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.595 8.270 -3.689 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.620 7.863 -1.770 1.00 15.00 O1- ATOM 0 H GLU A 287 1.085 3.553 -4.571 1.00 15.00 H new ATOM 0 HA GLU A 287 1.252 6.200 -3.295 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.564 5.816 -4.805 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.968 4.293 -4.037 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.578 5.912 -3.325 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.557 5.545 -1.949 1.00 15.00 H new ATOM 117 N VAL A 288 1.505 5.432 -0.996 1.00 15.00 N ATOM 118 CA VAL A 288 1.811 4.979 0.352 1.00 15.00 C ATOM 119 C VAL A 288 0.786 5.492 1.365 1.00 15.00 C ATOM 120 O VAL A 288 0.696 6.690 1.649 1.00 15.00 O ATOM 121 CB VAL A 288 3.248 5.401 0.761 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.463 6.898 0.585 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.552 4.978 2.189 1.00 15.00 C ATOM 0 H VAL A 288 1.820 6.381 -1.199 1.00 15.00 H new ATOM 0 HA VAL A 288 1.757 3.890 0.353 1.00 15.00 H new ATOM 0 HB VAL A 288 3.942 4.887 0.096 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.480 7.157 0.881 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.310 7.167 -0.460 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.754 7.443 1.208 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.564 5.285 2.452 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.842 5.451 2.867 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.468 3.895 2.273 1.00 15.00 H new ATOM 133 N ARG A 289 -0.003 4.572 1.900 1.00 15.00 N ATOM 134 CA ARG A 289 -1.044 4.916 2.855 1.00 15.00 C ATOM 135 C ARG A 289 -0.868 4.112 4.142 1.00 15.00 C ATOM 136 O ARG A 289 -0.463 2.952 4.106 1.00 15.00 O ATOM 137 CB ARG A 289 -2.424 4.674 2.232 1.00 15.00 C ATOM 138 CG ARG A 289 -2.707 5.559 1.029 1.00 15.00 C ATOM 139 CD ARG A 289 -2.434 7.025 1.331 1.00 15.00 C ATOM 140 NE ARG A 289 -3.244 7.526 2.442 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.738 8.139 3.515 1.00 15.00 C ATOM 142 NH1 ARG A 289 -1.424 8.294 3.641 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.542 8.599 4.465 1.00 15.00 N ATOM 0 H ARG A 289 0.059 3.576 1.687 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.965 5.973 3.108 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.500 3.629 1.931 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.191 4.845 2.988 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.090 5.240 0.189 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.747 5.438 0.725 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -1.378 7.154 1.568 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -2.636 7.620 0.440 1.00 15.00 H new ATOM 0 HE ARG A 289 -4.255 7.399 2.394 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -0.797 7.944 2.916 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -1.042 8.763 4.462 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -4.552 8.485 4.378 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -3.150 9.066 5.283 1.00 15.00 H new ATOM 157 N SER A 290 -1.178 4.729 5.274 1.00 15.00 N ATOM 158 CA SER A 290 -0.952 4.108 6.574 1.00 15.00 C ATOM 159 C SER A 290 -2.255 3.972 7.357 1.00 15.00 C ATOM 160 O SER A 290 -3.068 4.899 7.384 1.00 15.00 O ATOM 161 CB SER A 290 0.040 4.963 7.365 1.00 15.00 C ATOM 162 OG SER A 290 -0.428 6.298 7.475 1.00 15.00 O ATOM 0 H SER A 290 -1.588 5.662 5.319 1.00 15.00 H new ATOM 0 HA SER A 290 -0.549 3.107 6.419 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.182 4.539 8.359 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.012 4.952 6.872 1.00 15.00 H new ATOM 0 HG SER A 290 0.218 6.830 7.985 1.00 15.00 H new ATOM 168 N THR A 291 -2.435 2.830 8.012 1.00 15.00 N ATOM 169 CA THR A 291 -3.593 2.613 8.874 1.00 15.00 C ATOM 170 C THR A 291 -3.243 2.934 10.324 1.00 15.00 C ATOM 171 O THR A 291 -2.114 2.689 10.762 1.00 15.00 O ATOM 172 CB THR A 291 -4.110 1.158 8.791 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.014 0.234 8.879 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.887 0.913 7.506 1.00 15.00 C ATOM 0 H THR A 291 -1.793 2.039 7.963 1.00 15.00 H new ATOM 0 HA THR A 291 -4.381 3.279 8.523 1.00 15.00 H new ATOM 0 HB THR A 291 -4.786 1.001 9.632 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.075 -0.416 8.148 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.235 -0.120 7.482 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.744 1.585 7.465 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.240 1.098 6.649 1.00 15.00 H new ATOM 182 N VAL A 292 -4.217 3.460 11.066 1.00 15.00 N ATOM 183 CA VAL A 292 -4.019 3.846 12.465 1.00 15.00 C ATOM 184 C VAL A 292 -3.673 2.638 13.336 1.00 15.00 C ATOM 185 O VAL A 292 -3.219 2.787 14.467 1.00 15.00 O ATOM 186 CB VAL A 292 -5.258 4.555 13.053 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.555 5.835 12.288 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.467 3.632 13.047 1.00 15.00 C ATOM 0 H VAL A 292 -5.161 3.630 10.718 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.183 4.545 12.470 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.039 4.816 14.088 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.432 6.320 12.717 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.699 6.506 12.356 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.748 5.597 11.242 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.326 4.155 13.466 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.690 3.331 12.023 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.253 2.748 13.647 1.00 15.00 H new ATOM 198 N SER A 293 -3.906 1.446 12.799 1.00 15.00 N ATOM 199 CA SER A 293 -3.528 0.200 13.457 1.00 15.00 C ATOM 200 C SER A 293 -2.008 0.096 13.603 1.00 15.00 C ATOM 201 O SER A 293 -1.499 -0.750 14.336 1.00 15.00 O ATOM 202 CB SER A 293 -4.066 -0.994 12.666 1.00 15.00 C ATOM 203 OG SER A 293 -5.433 -0.809 12.336 1.00 15.00 O ATOM 0 H SER A 293 -4.362 1.316 11.896 1.00 15.00 H new ATOM 0 HA SER A 293 -3.965 0.193 14.455 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.482 -1.124 11.755 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.950 -1.906 13.252 1.00 15.00 H new ATOM 0 HG SER A 293 -5.755 -1.584 11.829 1.00 15.00 H new ATOM 209 N GLY A 294 -1.290 0.942 12.869 1.00 15.00 N ATOM 210 CA GLY A 294 0.156 0.889 12.870 1.00 15.00 C ATOM 211 C GLY A 294 0.677 -0.027 11.787 1.00 15.00 C ATOM 212 O GLY A 294 1.677 -0.724 11.969 1.00 15.00 O ATOM 0 H GLY A 294 -1.690 1.666 12.272 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.558 1.892 12.725 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.508 0.542 13.842 1.00 15.00 H new ATOM 216 N ARG A 295 -0.006 -0.018 10.653 1.00 15.00 N ATOM 217 CA ARG A 295 0.390 -0.826 9.510 1.00 15.00 C ATOM 218 C ARG A 295 0.491 0.035 8.266 1.00 15.00 C ATOM 219 O ARG A 295 -0.396 0.850 7.990 1.00 15.00 O ATOM 220 CB ARG A 295 -0.612 -1.955 9.251 1.00 15.00 C ATOM 221 CG ARG A 295 -0.567 -3.082 10.266 1.00 15.00 C ATOM 222 CD ARG A 295 -1.577 -4.169 9.931 1.00 15.00 C ATOM 223 NE ARG A 295 -2.944 -3.652 9.950 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.020 -4.403 10.166 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.893 -5.710 10.370 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.223 -3.841 10.178 1.00 15.00 N ATOM 0 H ARG A 295 -0.843 0.544 10.499 1.00 15.00 H new ATOM 0 HA ARG A 295 1.362 -1.262 9.740 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.618 -1.535 9.238 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.426 -2.368 8.260 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.435 -3.510 10.293 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.772 -2.687 11.261 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.356 -4.582 8.947 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.485 -4.986 10.647 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.081 -2.654 9.788 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.968 -6.140 10.361 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.720 -6.283 10.535 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.319 -2.838 10.022 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.051 -4.413 10.343 1.00 15.00 H new ATOM 240 N ILE A 296 1.545 -0.174 7.506 1.00 15.00 N ATOM 241 CA ILE A 296 1.690 0.477 6.222 1.00 15.00 C ATOM 242 C ILE A 296 1.047 -0.423 5.178 1.00 15.00 C ATOM 243 O ILE A 296 1.075 -1.648 5.318 1.00 15.00 O ATOM 244 CB ILE A 296 3.179 0.740 5.879 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.297 1.699 4.694 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.920 -0.561 5.585 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.750 3.079 4.983 1.00 15.00 C ATOM 0 H ILE A 296 2.317 -0.792 7.757 1.00 15.00 H new ATOM 0 HA ILE A 296 1.201 1.451 6.245 1.00 15.00 H new ATOM 0 HB ILE A 296 3.643 1.201 6.751 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.345 1.784 4.408 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.767 1.277 3.840 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.961 -0.341 5.348 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.876 -1.210 6.459 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.453 -1.062 4.737 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.865 3.708 4.100 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.693 3.005 5.240 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.297 3.520 5.817 1.00 15.00 H new ATOM 259 N TYR A 297 0.447 0.157 4.158 1.00 15.00 N ATOM 260 CA TYR A 297 -0.313 -0.639 3.216 1.00 15.00 C ATOM 261 C TYR A 297 -0.276 0.004 1.860 1.00 15.00 C ATOM 262 O TYR A 297 -0.455 1.215 1.712 1.00 15.00 O ATOM 263 CB TYR A 297 -1.761 -0.876 3.686 1.00 15.00 C ATOM 264 CG TYR A 297 -2.723 0.284 3.532 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.444 0.467 2.353 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.946 1.169 4.579 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.348 1.503 2.224 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.855 2.201 4.457 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.551 2.365 3.281 1.00 15.00 C ATOM 270 OH TYR A 297 -5.454 3.399 3.162 1.00 15.00 O ATOM 0 H TYR A 297 0.469 1.158 3.962 1.00 15.00 H new ATOM 0 HA TYR A 297 0.153 -1.622 3.154 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.163 -1.727 3.136 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.735 -1.160 4.738 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.293 -0.212 1.527 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.400 1.048 5.503 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.893 1.637 1.301 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.020 2.878 5.282 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.477 3.911 3.997 1.00 15.00 H new ATOM 280 N PHE A 298 -0.024 -0.815 0.879 1.00 15.00 N ATOM 281 CA PHE A 298 0.168 -0.338 -0.448 1.00 15.00 C ATOM 282 C PHE A 298 -1.018 -0.487 -1.336 1.00 15.00 C ATOM 283 O PHE A 298 -1.734 -1.483 -1.310 1.00 15.00 O ATOM 284 CB PHE A 298 1.350 -1.027 -1.061 1.00 15.00 C ATOM 285 CG PHE A 298 2.565 -0.257 -0.788 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.645 1.036 -1.258 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.616 -0.796 -0.078 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.756 1.786 -1.031 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.743 -0.049 0.142 1.00 15.00 C ATOM 290 CZ PHE A 298 4.804 1.241 -0.340 1.00 15.00 C ATOM 0 H PHE A 298 0.053 -1.827 0.982 1.00 15.00 H new ATOM 0 HA PHE A 298 0.339 0.735 -0.361 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.447 -2.034 -0.655 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.206 -1.129 -2.137 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.818 1.457 -1.811 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.551 -1.804 0.304 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.811 2.802 -1.393 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.576 -0.467 0.688 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.693 1.831 -0.170 1.00 15.00 H new ATOM 300 N VAL A 299 -1.159 0.522 -2.156 1.00 15.00 N ATOM 301 CA VAL A 299 -2.089 0.509 -3.246 1.00 15.00 C ATOM 302 C VAL A 299 -1.338 0.959 -4.498 1.00 15.00 C ATOM 303 O VAL A 299 -0.937 2.127 -4.648 1.00 15.00 O ATOM 304 CB VAL A 299 -3.358 1.362 -2.962 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.222 0.701 -1.896 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.005 2.766 -2.517 1.00 15.00 C ATOM 0 H VAL A 299 -0.622 1.386 -2.081 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.474 -0.500 -3.393 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.914 1.426 -3.898 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.105 1.313 -1.712 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.531 -0.287 -2.239 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.650 0.603 -0.973 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.919 3.329 -2.329 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.413 2.720 -1.603 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.428 3.261 -3.298 1.00 15.00 H new ATOM 316 N ASP A 300 -1.040 -0.021 -5.332 1.00 15.00 N ATOM 317 CA ASP A 300 -0.311 0.203 -6.568 1.00 15.00 C ATOM 318 C ASP A 300 -1.285 0.319 -7.726 1.00 15.00 C ATOM 319 O ASP A 300 -2.200 -0.495 -7.858 1.00 15.00 O ATOM 320 CB ASP A 300 0.700 -0.931 -6.808 1.00 15.00 C ATOM 321 CG ASP A 300 0.934 -1.205 -8.285 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.428 -0.302 -8.988 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.597 -2.316 -8.752 1.00 15.00 O ATOM 0 H ASP A 300 -1.297 -0.995 -5.172 1.00 15.00 H new ATOM 0 HA ASP A 300 0.246 1.137 -6.490 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.648 -0.673 -6.336 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.341 -1.840 -6.326 1.00 15.00 H new ATOM 328 N HIS A 301 -1.061 1.322 -8.567 1.00 15.00 N ATOM 329 CA HIS A 301 -1.972 1.637 -9.660 1.00 15.00 C ATOM 330 C HIS A 301 -1.728 0.758 -10.881 1.00 15.00 C ATOM 331 O HIS A 301 -2.577 0.680 -11.767 1.00 15.00 O ATOM 332 CB HIS A 301 -1.835 3.101 -10.082 1.00 15.00 C ATOM 333 CG HIS A 301 -2.398 4.095 -9.115 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.750 4.263 -8.915 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.787 5.028 -8.346 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.948 5.268 -8.082 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.774 5.744 -7.718 1.00 15.00 N ATOM 0 H HIS A 301 -0.248 1.936 -8.511 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.978 1.448 -9.284 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.778 3.322 -10.233 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.329 3.233 -11.045 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.722 5.180 -8.246 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.909 5.637 -7.755 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.624 6.520 -7.073 1.00 15.00 H new ATOM 346 N ASN A 302 -0.566 0.121 -10.940 1.00 15.00 N ATOM 347 CA ASN A 302 -0.197 -0.670 -12.109 1.00 15.00 C ATOM 348 C ASN A 302 -0.979 -1.972 -12.143 1.00 15.00 C ATOM 349 O ASN A 302 -1.795 -2.197 -13.039 1.00 15.00 O ATOM 350 CB ASN A 302 1.308 -0.962 -12.120 1.00 15.00 C ATOM 351 CG ASN A 302 2.144 0.296 -12.244 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.453 0.745 -13.348 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.523 0.869 -11.112 1.00 15.00 N ATOM 0 H ASN A 302 0.134 0.135 -10.198 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.443 -0.088 -12.997 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.580 -1.486 -11.203 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.539 -1.631 -12.949 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.093 1.715 -11.134 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.245 0.465 -10.218 1.00 15.00 H new ATOM 360 N ASN A 303 -0.744 -2.819 -11.155 1.00 15.00 N ATOM 361 CA ASN A 303 -1.428 -4.100 -11.073 1.00 15.00 C ATOM 362 C ASN A 303 -2.727 -3.967 -10.295 1.00 15.00 C ATOM 363 O ASN A 303 -3.565 -4.870 -10.309 1.00 15.00 O ATOM 364 CB ASN A 303 -0.533 -5.158 -10.424 1.00 15.00 C ATOM 365 CG ASN A 303 0.700 -5.468 -11.251 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.685 -5.367 -12.478 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.775 -5.850 -10.585 1.00 15.00 N ATOM 0 H ASN A 303 -0.084 -2.643 -10.397 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.660 -4.420 -12.089 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.226 -4.813 -9.437 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.107 -6.073 -10.277 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.634 -6.074 -11.088 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.746 -5.921 -9.568 1.00 15.00 H new ATOM 374 N ARG A 304 -2.861 -2.842 -9.591 1.00 15.00 N ATOM 375 CA ARG A 304 -4.012 -2.568 -8.736 1.00 15.00 C ATOM 376 C ARG A 304 -4.062 -3.586 -7.612 1.00 15.00 C ATOM 377 O ARG A 304 -4.960 -4.428 -7.543 1.00 15.00 O ATOM 378 CB ARG A 304 -5.325 -2.558 -9.530 1.00 15.00 C ATOM 379 CG ARG A 304 -5.265 -1.717 -10.797 1.00 15.00 C ATOM 380 CD ARG A 304 -6.544 -1.834 -11.609 1.00 15.00 C ATOM 381 NE ARG A 304 -7.721 -1.429 -10.842 1.00 15.00 N ATOM 382 CZ ARG A 304 -8.638 -0.569 -11.281 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.540 -0.044 -12.498 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -9.660 -0.244 -10.507 1.00 15.00 N ATOM 0 H ARG A 304 -2.169 -2.093 -9.599 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.895 -1.571 -8.312 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.587 -3.582 -9.796 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.123 -2.181 -8.891 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.095 -0.673 -10.533 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.418 -2.034 -11.405 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.464 -1.215 -12.503 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.667 -2.864 -11.944 1.00 15.00 H new ATOM 0 HE ARG A 304 -7.848 -1.830 -9.913 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -7.759 -0.299 -13.102 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.246 0.614 -12.828 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -9.745 -0.652 -9.576 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -10.364 0.415 -10.841 1.00 15.00 H new ATOM 398 N THR A 305 -3.063 -3.520 -6.748 1.00 15.00 N ATOM 399 CA THR A 305 -2.898 -4.512 -5.700 1.00 15.00 C ATOM 400 C THR A 305 -2.704 -3.844 -4.344 1.00 15.00 C ATOM 401 O THR A 305 -2.134 -2.755 -4.259 1.00 15.00 O ATOM 402 CB THR A 305 -1.680 -5.416 -5.991 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.633 -5.742 -7.386 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.746 -6.702 -5.177 1.00 15.00 C ATOM 0 H THR A 305 -2.353 -2.788 -6.752 1.00 15.00 H new ATOM 0 HA THR A 305 -3.804 -5.117 -5.677 1.00 15.00 H new ATOM 0 HB THR A 305 -0.781 -4.869 -5.709 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.857 -6.314 -7.562 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.876 -7.320 -5.401 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.755 -6.460 -4.114 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.654 -7.248 -5.432 1.00 15.00 H new ATOM 412 N THR A 306 -3.190 -4.495 -3.294 1.00 15.00 N ATOM 413 CA THR A 306 -2.961 -4.030 -1.940 1.00 15.00 C ATOM 414 C THR A 306 -1.959 -4.940 -1.230 1.00 15.00 C ATOM 415 O THR A 306 -2.197 -6.139 -1.077 1.00 15.00 O ATOM 416 CB THR A 306 -4.261 -3.977 -1.118 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.280 -3.261 -1.834 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.001 -3.302 0.221 1.00 15.00 C ATOM 0 H THR A 306 -3.746 -5.348 -3.359 1.00 15.00 H new ATOM 0 HA THR A 306 -2.563 -3.018 -2.014 1.00 15.00 H new ATOM 0 HB THR A 306 -4.605 -4.997 -0.946 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.919 -2.878 -1.198 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.926 -3.268 0.797 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.250 -3.867 0.773 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.641 -2.287 0.053 1.00 15.00 H new ATOM 426 N GLN A 307 -0.846 -4.370 -0.800 1.00 15.00 N ATOM 427 CA GLN A 307 0.211 -5.144 -0.159 1.00 15.00 C ATOM 428 C GLN A 307 0.563 -4.579 1.212 1.00 15.00 C ATOM 429 O GLN A 307 0.897 -3.408 1.335 1.00 15.00 O ATOM 430 CB GLN A 307 1.468 -5.151 -1.037 1.00 15.00 C ATOM 431 CG GLN A 307 1.384 -6.090 -2.226 1.00 15.00 C ATOM 432 CD GLN A 307 1.373 -7.549 -1.809 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.316 -8.138 -1.579 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.553 -8.141 -1.705 1.00 15.00 N ATOM 0 H GLN A 307 -0.648 -3.373 -0.882 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.159 -6.161 -0.031 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.652 -4.139 -1.398 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.325 -5.432 -0.425 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.481 -5.871 -2.796 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.231 -5.910 -2.888 1.00 15.00 H new ATOM 0 HE21 GLN A 307 3.405 -7.618 -1.904 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.609 -9.120 -1.425 1.00 15.00 H new ATOM 443 N PHE A 308 0.496 -5.419 2.238 1.00 15.00 N ATOM 444 CA PHE A 308 1.022 -5.052 3.553 1.00 15.00 C ATOM 445 C PHE A 308 2.546 -5.184 3.551 1.00 15.00 C ATOM 446 O PHE A 308 3.224 -4.774 4.492 1.00 15.00 O ATOM 447 CB PHE A 308 0.420 -5.926 4.668 1.00 15.00 C ATOM 448 CG PHE A 308 -0.806 -5.347 5.333 1.00 15.00 C ATOM 449 CD1 PHE A 308 -0.903 -3.989 5.583 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.845 -6.168 5.744 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.008 -3.464 6.226 1.00 15.00 C ATOM 452 CE2 PHE A 308 -2.954 -5.647 6.380 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.036 -4.294 6.622 1.00 15.00 C ATOM 0 H PHE A 308 0.087 -6.352 2.189 1.00 15.00 H new ATOM 0 HA PHE A 308 0.741 -4.018 3.754 1.00 15.00 H new ATOM 0 HB2 PHE A 308 0.164 -6.899 4.249 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.182 -6.097 5.428 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.105 -3.331 5.272 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.786 -7.231 5.564 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.067 -2.403 6.419 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.757 -6.300 6.688 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.902 -3.884 7.120 1.00 15.00 H new ATOM 463 N THR A 309 3.067 -5.782 2.484 1.00 15.00 N ATOM 464 CA THR A 309 4.497 -5.995 2.332 1.00 15.00 C ATOM 465 C THR A 309 5.185 -4.742 1.784 1.00 15.00 C ATOM 466 O THR A 309 5.072 -4.430 0.596 1.00 15.00 O ATOM 467 CB THR A 309 4.771 -7.170 1.372 1.00 15.00 C ATOM 468 OG1 THR A 309 3.823 -8.228 1.596 1.00 15.00 O ATOM 469 CG2 THR A 309 6.186 -7.700 1.561 1.00 15.00 C ATOM 0 H THR A 309 2.509 -6.131 1.704 1.00 15.00 H new ATOM 0 HA THR A 309 4.899 -6.224 3.319 1.00 15.00 H new ATOM 0 HB THR A 309 4.666 -6.806 0.350 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.006 -8.967 0.979 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.359 -8.529 0.874 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.903 -6.904 1.357 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.311 -8.047 2.587 1.00 15.00 H new ATOM 477 N ASP A 310 5.877 -4.020 2.656 1.00 15.00 N ATOM 478 CA ASP A 310 6.654 -2.851 2.247 1.00 15.00 C ATOM 479 C ASP A 310 8.103 -3.267 1.992 1.00 15.00 C ATOM 480 O ASP A 310 8.782 -3.758 2.898 1.00 15.00 O ATOM 481 CB ASP A 310 6.586 -1.761 3.331 1.00 15.00 C ATOM 482 CG ASP A 310 7.302 -0.476 2.953 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.536 -0.499 2.800 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 6.635 0.571 2.835 1.00 15.00 O ATOM 0 H ASP A 310 5.918 -4.222 3.655 1.00 15.00 H new ATOM 0 HA ASP A 310 6.235 -2.442 1.327 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.541 -1.535 3.541 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.019 -2.150 4.252 1.00 15.00 H new ATOM 489 N PRO A 311 8.594 -3.080 0.754 1.00 15.00 N ATOM 490 CA PRO A 311 9.939 -3.520 0.346 1.00 15.00 C ATOM 491 C PRO A 311 11.063 -2.744 1.035 1.00 15.00 C ATOM 492 O PRO A 311 12.224 -3.144 1.000 1.00 15.00 O ATOM 493 CB PRO A 311 9.958 -3.263 -1.163 1.00 15.00 C ATOM 494 CG PRO A 311 8.942 -2.196 -1.383 1.00 15.00 C ATOM 495 CD PRO A 311 7.874 -2.416 -0.348 1.00 15.00 C ATOM 0 HA PRO A 311 10.116 -4.560 0.622 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.945 -2.943 -1.497 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.710 -4.166 -1.721 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.387 -1.207 -1.279 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.527 -2.255 -2.389 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.427 -1.475 -0.026 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.065 -3.038 -0.732 1.00 15.00 H new ATOM 628 N PRO B 207 -7.027 -8.792 6.731 1.00 15.00 N ATOM 629 CA PRO B 207 -7.245 -8.511 5.309 1.00 15.00 C ATOM 630 C PRO B 207 -6.887 -7.073 4.933 1.00 15.00 C ATOM 631 O PRO B 207 -7.446 -6.119 5.478 1.00 15.00 O ATOM 632 CB PRO B 207 -8.750 -8.755 5.107 1.00 15.00 C ATOM 633 CG PRO B 207 -9.326 -8.882 6.481 1.00 15.00 C ATOM 634 CD PRO B 207 -8.215 -9.385 7.353 1.00 15.00 C ATOM 0 HA PRO B 207 -6.613 -9.137 4.680 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.211 -7.930 4.564 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.926 -9.659 4.524 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.697 -7.921 6.838 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.170 -9.572 6.488 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.334 -9.063 8.388 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.167 -10.474 7.361 1.00 15.00 H new ATOM 642 N PRO B 208 -5.921 -6.918 4.011 1.00 15.00 N ATOM 643 CA PRO B 208 -5.503 -5.612 3.495 1.00 15.00 C ATOM 644 C PRO B 208 -6.663 -4.781 2.939 1.00 15.00 C ATOM 645 O PRO B 208 -7.628 -5.319 2.387 1.00 15.00 O ATOM 646 CB PRO B 208 -4.517 -5.967 2.379 1.00 15.00 C ATOM 647 CG PRO B 208 -4.005 -7.320 2.722 1.00 15.00 C ATOM 648 CD PRO B 208 -5.115 -8.020 3.454 1.00 15.00 C ATOM 0 HA PRO B 208 -5.078 -4.992 4.284 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.008 -5.968 1.406 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.705 -5.241 2.326 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.726 -7.869 1.823 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.112 -7.251 3.344 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.703 -8.646 2.783 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.729 -8.669 4.240 1.00 15.00 H new ATOM 656 N PRO B 209 -6.548 -3.447 3.051 1.00 15.00 N ATOM 657 CA PRO B 209 -7.591 -2.499 2.638 1.00 15.00 C ATOM 658 C PRO B 209 -7.794 -2.497 1.122 1.00 15.00 C ATOM 659 O PRO B 209 -6.835 -2.363 0.364 1.00 15.00 O ATOM 660 CB PRO B 209 -7.047 -1.135 3.112 1.00 15.00 C ATOM 661 CG PRO B 209 -5.936 -1.455 4.044 1.00 15.00 C ATOM 662 CD PRO B 209 -5.368 -2.753 3.571 1.00 15.00 C ATOM 0 HA PRO B 209 -8.564 -2.750 3.060 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.694 -0.539 2.270 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.823 -0.554 3.611 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.179 -0.670 4.034 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.297 -1.537 5.069 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.611 -2.607 2.800 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.895 -3.308 4.381 1.00 15.00 H new ATOM 670 N PRO B 210 -9.047 -2.648 0.664 1.00 15.00 N ATOM 671 CA PRO B 210 -9.381 -2.678 -0.770 1.00 15.00 C ATOM 672 C PRO B 210 -8.808 -1.482 -1.531 1.00 15.00 C ATOM 673 O PRO B 210 -8.913 -0.339 -1.075 1.00 15.00 O ATOM 674 CB PRO B 210 -10.910 -2.629 -0.774 1.00 15.00 C ATOM 675 CG PRO B 210 -11.309 -3.219 0.531 1.00 15.00 C ATOM 676 CD PRO B 210 -10.246 -2.806 1.508 1.00 15.00 C ATOM 0 HA PRO B 210 -8.963 -3.554 -1.267 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.273 -1.606 -0.874 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.322 -3.197 -1.608 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.288 -2.855 0.842 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.379 -4.305 0.464 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.506 -1.877 2.015 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.096 -3.560 2.281 1.00 15.00 H new ATOM 684 N TYR B 211 -8.211 -1.754 -2.692 1.00 15.00 N ATOM 685 CA TYR B 211 -7.608 -0.710 -3.511 1.00 15.00 C ATOM 686 C TYR B 211 -8.641 0.334 -3.928 1.00 15.00 C ATOM 687 O TYR B 211 -9.499 0.087 -4.777 1.00 15.00 O ATOM 688 CB TYR B 211 -6.908 -1.306 -4.753 1.00 15.00 C ATOM 689 CG TYR B 211 -6.532 -0.273 -5.809 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.976 0.951 -5.450 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.758 -0.511 -7.165 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.668 1.904 -6.400 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.438 0.442 -8.116 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.904 1.638 -7.731 1.00 15.00 C ATOM 695 OH TYR B 211 -5.629 2.578 -8.689 1.00 15.00 O ATOM 0 H TYR B 211 -8.134 -2.692 -3.084 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.853 -0.215 -2.901 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.006 -1.828 -4.433 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.564 -2.050 -5.205 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.782 1.159 -4.408 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.188 -1.451 -7.477 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.245 2.852 -6.102 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.611 0.240 -9.163 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.819 3.071 -8.441 1.00 15.00 H new ATOM 705 N SER B 212 -8.569 1.482 -3.274 1.00 15.00 N ATOM 706 CA SER B 212 -9.303 2.659 -3.690 1.00 15.00 C ATOM 707 C SER B 212 -8.338 3.532 -4.479 1.00 15.00 C ATOM 708 O SER B 212 -7.147 3.545 -4.171 1.00 15.00 O ATOM 709 CB SER B 212 -9.841 3.403 -2.461 1.00 15.00 C ATOM 710 OG SER B 212 -10.749 4.429 -2.831 1.00 15.00 O ATOM 0 H SER B 212 -7.999 1.621 -2.440 1.00 15.00 H new ATOM 0 HA SER B 212 -10.160 2.392 -4.308 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.339 2.697 -1.796 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.010 3.835 -1.903 1.00 15.00 H new ATOM 0 HG SER B 212 -11.075 4.883 -2.026 1.00 15.00 H new ATOM 716 N ARG B 213 -8.838 4.287 -5.452 1.00 15.00 N ATOM 717 CA ARG B 213 -7.961 4.965 -6.408 1.00 15.00 C ATOM 718 C ARG B 213 -7.017 5.926 -5.697 1.00 15.00 C ATOM 719 O ARG B 213 -5.800 5.748 -5.729 1.00 15.00 O ATOM 720 CB ARG B 213 -8.777 5.740 -7.445 1.00 15.00 C ATOM 721 CG ARG B 213 -9.836 4.912 -8.148 1.00 15.00 C ATOM 722 CD ARG B 213 -10.470 5.689 -9.290 1.00 15.00 C ATOM 723 NE ARG B 213 -10.959 7.003 -8.866 1.00 15.00 N ATOM 724 CZ ARG B 213 -12.196 7.446 -9.080 1.00 15.00 C ATOM 725 NH1 ARG B 213 -13.108 6.648 -9.624 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.522 8.682 -8.721 1.00 15.00 N ATOM 0 H ARG B 213 -9.834 4.446 -5.601 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.376 4.196 -6.913 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.259 6.585 -6.954 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.098 6.151 -8.192 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.389 3.995 -8.532 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.605 4.617 -7.434 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.740 5.816 -10.089 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -11.297 5.112 -9.703 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.310 7.618 -8.375 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -12.862 5.692 -9.879 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -14.055 6.992 -9.786 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.826 9.286 -8.284 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.468 9.027 -8.882 1.00 15.00 H new ATOM 740 N TYR B 214 -7.572 6.942 -5.065 1.00 15.00 N ATOM 741 CA TYR B 214 -6.770 7.896 -4.322 1.00 15.00 C ATOM 742 C TYR B 214 -7.167 7.874 -2.854 1.00 15.00 C ATOM 743 O TYR B 214 -8.159 8.480 -2.451 1.00 15.00 O ATOM 744 CB TYR B 214 -6.898 9.304 -4.920 1.00 15.00 C ATOM 745 CG TYR B 214 -6.221 9.444 -6.273 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.581 8.629 -7.341 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.214 10.379 -6.479 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.962 8.738 -8.567 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.590 10.498 -7.710 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.969 9.673 -8.748 1.00 15.00 C ATOM 751 OH TYR B 214 -4.349 9.783 -9.973 1.00 15.00 O ATOM 0 H TYR B 214 -8.575 7.129 -5.051 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.721 7.609 -4.396 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.954 9.554 -5.022 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.465 10.026 -4.228 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.362 7.895 -7.206 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.913 11.023 -5.666 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.255 8.093 -9.382 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.812 11.232 -7.856 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.672 10.491 -9.935 1.00 15.00 H new ATOM 761 N PRO B 215 -6.420 7.110 -2.052 1.00 15.00 N ATOM 762 CA PRO B 215 -6.688 6.918 -0.637 1.00 15.00 C ATOM 763 C PRO B 215 -5.882 7.864 0.244 1.00 15.00 C ATOM 764 O PRO B 215 -5.813 7.688 1.461 1.00 15.00 O ATOM 765 CB PRO B 215 -6.235 5.475 -0.422 1.00 15.00 C ATOM 766 CG PRO B 215 -5.159 5.235 -1.440 1.00 15.00 C ATOM 767 CD PRO B 215 -5.246 6.336 -2.471 1.00 15.00 C ATOM 0 HA PRO B 215 -7.727 7.115 -0.375 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.857 5.329 0.590 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -7.064 4.780 -0.556 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.178 5.232 -0.965 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.288 4.260 -1.910 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.344 6.949 -2.480 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.369 5.934 -3.477 1.00 15.00 H new