USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=11 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= -0.761 K(o=-1.5,f=-4.2!) USER MOD Set 1.2: B 211 TYR OH : rot -123:sc= -0.755 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot 180:sc= -0.604 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= 1.11 K(o=1.1,f=-0.19) USER MOD Single : A 303 ASN : amide:sc= 1.19 K(o=1.2,f=-0.032) USER MOD Single : A 305 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 306 THR OG1 : rot -151:sc= 0.0751 USER MOD Single : A 307 GLN :FLIP amide:sc= -0.0794 F(o=-2.9!,f=-0.079) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0.041 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 8.721 4.408 -5.356 1.00 15.00 N ATOM 44 CA PRO A 283 8.173 4.416 -6.721 1.00 15.00 C ATOM 45 C PRO A 283 6.891 5.238 -6.835 1.00 15.00 C ATOM 46 O PRO A 283 5.962 5.062 -6.052 1.00 15.00 O ATOM 47 CB PRO A 283 7.886 2.938 -6.998 1.00 15.00 C ATOM 48 CG PRO A 283 8.808 2.197 -6.096 1.00 15.00 C ATOM 49 CD PRO A 283 8.932 3.037 -4.857 1.00 15.00 C ATOM 0 HA PRO A 283 8.863 4.872 -7.430 1.00 15.00 H new ATOM 0 HB2 PRO A 283 6.845 2.691 -6.789 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.069 2.688 -8.043 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.414 1.209 -5.860 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.780 2.049 -6.567 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.189 2.762 -4.108 1.00 15.00 H new ATOM 0 HD3 PRO A 283 9.911 2.925 -4.391 1.00 15.00 H new ATOM 57 N PRO A 284 6.818 6.134 -7.833 1.00 15.00 N ATOM 58 CA PRO A 284 5.666 7.029 -8.021 1.00 15.00 C ATOM 59 C PRO A 284 4.397 6.293 -8.458 1.00 15.00 C ATOM 60 O PRO A 284 3.333 6.897 -8.598 1.00 15.00 O ATOM 61 CB PRO A 284 6.132 7.992 -9.113 1.00 15.00 C ATOM 62 CG PRO A 284 7.186 7.251 -9.855 1.00 15.00 C ATOM 63 CD PRO A 284 7.862 6.359 -8.851 1.00 15.00 C ATOM 0 HA PRO A 284 5.389 7.520 -7.088 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.309 8.271 -9.771 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.525 8.914 -8.685 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.752 6.665 -10.665 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.900 7.939 -10.307 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.191 5.423 -9.303 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.745 6.834 -8.423 1.00 15.00 H new ATOM 71 N GLY A 285 4.525 4.997 -8.702 1.00 15.00 N ATOM 72 CA GLY A 285 3.367 4.166 -8.981 1.00 15.00 C ATOM 73 C GLY A 285 2.812 3.572 -7.706 1.00 15.00 C ATOM 74 O GLY A 285 1.681 3.085 -7.661 1.00 15.00 O ATOM 0 H GLY A 285 5.416 4.501 -8.712 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.598 4.760 -9.475 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.644 3.367 -9.669 1.00 15.00 H new ATOM 78 N TRP A 286 3.625 3.639 -6.663 1.00 15.00 N ATOM 79 CA TRP A 286 3.276 3.106 -5.363 1.00 15.00 C ATOM 80 C TRP A 286 2.657 4.185 -4.490 1.00 15.00 C ATOM 81 O TRP A 286 3.325 5.142 -4.103 1.00 15.00 O ATOM 82 CB TRP A 286 4.527 2.524 -4.687 1.00 15.00 C ATOM 83 CG TRP A 286 4.824 1.129 -5.123 1.00 15.00 C ATOM 84 CD1 TRP A 286 4.955 0.679 -6.406 1.00 15.00 C ATOM 85 CD2 TRP A 286 4.996 -0.010 -4.276 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.176 -0.675 -6.410 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.202 -1.123 -5.116 1.00 15.00 C ATOM 88 CE3 TRP A 286 4.990 -0.203 -2.888 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.387 -2.409 -4.616 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.167 -1.480 -2.405 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.356 -2.571 -3.261 1.00 15.00 C ATOM 0 H TRP A 286 4.550 4.068 -6.699 1.00 15.00 H new ATOM 0 HA TRP A 286 2.541 2.312 -5.495 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.384 3.160 -4.910 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.391 2.541 -3.606 1.00 15.00 H new ATOM 0 HD1 TRP A 286 4.894 1.299 -7.288 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.301 -1.253 -7.241 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.850 0.629 -2.214 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.549 -3.248 -5.276 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.160 -1.644 -1.338 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.480 -3.559 -2.842 1.00 15.00 H new ATOM 102 N GLU A 287 1.370 4.057 -4.202 1.00 15.00 N ATOM 103 CA GLU A 287 0.719 4.987 -3.303 1.00 15.00 C ATOM 104 C GLU A 287 0.810 4.456 -1.879 1.00 15.00 C ATOM 105 O GLU A 287 0.196 3.440 -1.536 1.00 15.00 O ATOM 106 CB GLU A 287 -0.730 5.221 -3.735 1.00 15.00 C ATOM 107 CG GLU A 287 -1.576 5.982 -2.722 1.00 15.00 C ATOM 108 CD GLU A 287 -1.006 7.347 -2.388 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.873 8.181 -3.309 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.693 7.590 -1.203 1.00 15.00 O1- ATOM 0 H GLU A 287 0.765 3.325 -4.575 1.00 15.00 H new ATOM 0 HA GLU A 287 1.223 5.953 -3.340 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.731 5.771 -4.676 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.198 4.256 -3.929 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.586 6.101 -3.115 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.657 5.394 -1.808 1.00 15.00 H new ATOM 117 N VAL A 288 1.624 5.122 -1.075 1.00 15.00 N ATOM 118 CA VAL A 288 1.869 4.696 0.290 1.00 15.00 C ATOM 119 C VAL A 288 0.868 5.329 1.253 1.00 15.00 C ATOM 120 O VAL A 288 0.913 6.527 1.535 1.00 15.00 O ATOM 121 CB VAL A 288 3.321 5.002 0.736 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.685 6.460 0.478 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.512 4.649 2.206 1.00 15.00 C ATOM 0 H VAL A 288 2.128 5.965 -1.349 1.00 15.00 H new ATOM 0 HA VAL A 288 1.735 3.615 0.316 1.00 15.00 H new ATOM 0 HB VAL A 288 3.993 4.384 0.141 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.710 6.642 0.802 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.598 6.674 -0.587 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.008 7.108 1.035 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.537 4.870 2.503 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.824 5.236 2.814 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.312 3.588 2.354 1.00 15.00 H new ATOM 133 N ARG A 289 -0.042 4.511 1.738 1.00 15.00 N ATOM 134 CA ARG A 289 -1.039 4.953 2.691 1.00 15.00 C ATOM 135 C ARG A 289 -0.796 4.267 4.030 1.00 15.00 C ATOM 136 O ARG A 289 -0.283 3.150 4.077 1.00 15.00 O ATOM 137 CB ARG A 289 -2.436 4.634 2.157 1.00 15.00 C ATOM 138 CG ARG A 289 -2.869 5.489 0.974 1.00 15.00 C ATOM 139 CD ARG A 289 -3.077 6.946 1.365 1.00 15.00 C ATOM 140 NE ARG A 289 -1.838 7.719 1.337 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.483 8.598 2.276 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.223 8.745 3.372 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -0.371 9.310 2.132 1.00 15.00 N ATOM 0 H ARG A 289 -0.112 3.525 1.485 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.966 6.031 2.835 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.468 3.585 1.862 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.158 4.760 2.964 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.115 5.429 0.189 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.794 5.090 0.559 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.799 7.400 0.687 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -3.507 6.992 2.366 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.204 7.578 0.550 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -3.066 8.184 3.497 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -1.947 9.418 4.087 1.00 15.00 H new ATOM 0 HH21 ARG A 289 0.211 9.185 1.304 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -0.099 9.982 2.850 1.00 15.00 H new ATOM 157 N SER A 290 -1.152 4.929 5.119 1.00 15.00 N ATOM 158 CA SER A 290 -0.913 4.382 6.448 1.00 15.00 C ATOM 159 C SER A 290 -2.172 4.467 7.310 1.00 15.00 C ATOM 160 O SER A 290 -2.898 5.462 7.270 1.00 15.00 O ATOM 161 CB SER A 290 0.240 5.136 7.112 1.00 15.00 C ATOM 162 OG SER A 290 1.403 5.095 6.300 1.00 15.00 O ATOM 0 H SER A 290 -1.606 5.842 5.111 1.00 15.00 H new ATOM 0 HA SER A 290 -0.647 3.330 6.350 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.050 6.172 7.287 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.455 4.696 8.086 1.00 15.00 H new ATOM 0 HG SER A 290 2.128 5.584 6.742 1.00 15.00 H new ATOM 168 N THR A 291 -2.416 3.419 8.087 1.00 15.00 N ATOM 169 CA THR A 291 -3.549 3.383 9.003 1.00 15.00 C ATOM 170 C THR A 291 -3.084 3.629 10.440 1.00 15.00 C ATOM 171 O THR A 291 -1.956 3.277 10.801 1.00 15.00 O ATOM 172 CB THR A 291 -4.293 2.033 8.920 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.345 0.966 8.797 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.258 2.007 7.740 1.00 15.00 C ATOM 0 H THR A 291 -1.840 2.577 8.101 1.00 15.00 H new ATOM 0 HA THR A 291 -4.238 4.175 8.708 1.00 15.00 H new ATOM 0 HB THR A 291 -4.872 1.905 9.834 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.820 0.110 8.746 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.767 1.044 7.708 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.994 2.803 7.854 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.704 2.156 6.813 1.00 15.00 H new ATOM 182 N VAL A 292 -3.962 4.221 11.253 1.00 15.00 N ATOM 183 CA VAL A 292 -3.627 4.606 12.632 1.00 15.00 C ATOM 184 C VAL A 292 -3.249 3.400 13.494 1.00 15.00 C ATOM 185 O VAL A 292 -2.696 3.552 14.582 1.00 15.00 O ATOM 186 CB VAL A 292 -4.788 5.368 13.314 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.106 6.646 12.556 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.027 4.493 13.431 1.00 15.00 C ATOM 0 H VAL A 292 -4.918 4.447 10.980 1.00 15.00 H new ATOM 0 HA VAL A 292 -2.763 5.265 12.553 1.00 15.00 H new ATOM 0 HB VAL A 292 -4.469 5.633 14.322 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.925 7.168 13.051 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.225 7.287 12.538 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.397 6.400 11.535 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.826 5.056 13.914 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.350 4.185 12.437 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.794 3.610 14.026 1.00 15.00 H new ATOM 198 N SER A 293 -3.564 2.209 13.003 1.00 15.00 N ATOM 199 CA SER A 293 -3.196 0.964 13.667 1.00 15.00 C ATOM 200 C SER A 293 -1.673 0.793 13.724 1.00 15.00 C ATOM 201 O SER A 293 -1.157 -0.056 14.451 1.00 15.00 O ATOM 202 CB SER A 293 -3.830 -0.216 12.932 1.00 15.00 C ATOM 203 OG SER A 293 -5.210 0.020 12.701 1.00 15.00 O ATOM 0 H SER A 293 -4.081 2.078 12.134 1.00 15.00 H new ATOM 0 HA SER A 293 -3.567 0.998 14.691 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.319 -0.376 11.982 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.705 -1.126 13.519 1.00 15.00 H new ATOM 0 HG SER A 293 -5.598 -0.746 12.228 1.00 15.00 H new ATOM 209 N GLY A 294 -0.963 1.592 12.933 1.00 15.00 N ATOM 210 CA GLY A 294 0.473 1.447 12.822 1.00 15.00 C ATOM 211 C GLY A 294 0.840 0.493 11.712 1.00 15.00 C ATOM 212 O GLY A 294 1.858 -0.202 11.771 1.00 15.00 O ATOM 0 H GLY A 294 -1.361 2.340 12.365 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.926 2.420 12.633 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.879 1.084 13.766 1.00 15.00 H new ATOM 216 N ARG A 295 -0.005 0.469 10.694 1.00 15.00 N ATOM 217 CA ARG A 295 0.198 -0.381 9.535 1.00 15.00 C ATOM 218 C ARG A 295 0.396 0.470 8.292 1.00 15.00 C ATOM 219 O ARG A 295 -0.398 1.374 8.013 1.00 15.00 O ATOM 220 CB ARG A 295 -1.011 -1.302 9.320 1.00 15.00 C ATOM 221 CG ARG A 295 -1.057 -2.530 10.219 1.00 15.00 C ATOM 222 CD ARG A 295 -0.280 -3.704 9.628 1.00 15.00 C ATOM 223 NE ARG A 295 -0.394 -4.894 10.469 1.00 15.00 N ATOM 224 CZ ARG A 295 0.252 -6.036 10.239 1.00 15.00 C ATOM 225 NH1 ARG A 295 1.119 -6.132 9.237 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 0.050 -7.083 11.024 1.00 15.00 N ATOM 0 H ARG A 295 -0.850 1.038 10.649 1.00 15.00 H new ATOM 0 HA ARG A 295 1.085 -0.988 9.713 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.921 -0.723 9.476 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.017 -1.631 8.281 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.645 -2.279 11.196 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.094 -2.825 10.376 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.655 -3.925 8.629 1.00 15.00 H new ATOM 0 HD3 ARG A 295 0.770 -3.431 9.521 1.00 15.00 H new ATOM 0 HE ARG A 295 -1.007 -4.847 11.283 1.00 15.00 H new ATOM 0 HH11 ARG A 295 1.295 -5.327 8.636 1.00 15.00 H new ATOM 0 HH12 ARG A 295 1.609 -7.011 9.069 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -0.601 -7.016 11.806 1.00 15.00 H new ATOM 0 HH22 ARG A 295 0.545 -7.957 10.846 1.00 15.00 H new ATOM 240 N ILE A 296 1.442 0.177 7.544 1.00 15.00 N ATOM 241 CA ILE A 296 1.615 0.769 6.232 1.00 15.00 C ATOM 242 C ILE A 296 0.927 -0.147 5.236 1.00 15.00 C ATOM 243 O ILE A 296 0.946 -1.365 5.406 1.00 15.00 O ATOM 244 CB ILE A 296 3.113 0.950 5.872 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.269 1.660 4.520 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.835 -0.395 5.855 1.00 15.00 C ATOM 247 CD1 ILE A 296 4.710 1.906 4.129 1.00 15.00 C ATOM 0 H ILE A 296 2.183 -0.466 7.822 1.00 15.00 H new ATOM 0 HA ILE A 296 1.177 1.767 6.213 1.00 15.00 H new ATOM 0 HB ILE A 296 3.569 1.574 6.641 1.00 15.00 H new ATOM 0 HG12 ILE A 296 2.788 1.061 3.747 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.743 2.614 4.557 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.884 -0.242 5.600 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.765 -0.858 6.839 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.373 -1.047 5.114 1.00 15.00 H new ATOM 0 HD11 ILE A 296 4.744 2.411 3.164 1.00 15.00 H new ATOM 0 HD12 ILE A 296 5.190 2.531 4.882 1.00 15.00 H new ATOM 0 HD13 ILE A 296 5.236 0.954 4.059 1.00 15.00 H new ATOM 259 N TYR A 297 0.294 0.412 4.225 1.00 15.00 N ATOM 260 CA TYR A 297 -0.536 -0.395 3.360 1.00 15.00 C ATOM 261 C TYR A 297 -0.523 0.171 1.968 1.00 15.00 C ATOM 262 O TYR A 297 -0.777 1.357 1.745 1.00 15.00 O ATOM 263 CB TYR A 297 -1.969 -0.554 3.907 1.00 15.00 C ATOM 264 CG TYR A 297 -2.932 0.589 3.655 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.724 0.613 2.511 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.089 1.613 4.581 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.632 1.629 2.293 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.001 2.629 4.372 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.769 2.632 3.226 1.00 15.00 C ATOM 270 OH TYR A 297 -5.680 3.640 3.014 1.00 15.00 O ATOM 0 H TYR A 297 0.337 1.403 3.986 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.117 -1.401 3.327 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.397 -1.459 3.477 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.905 -0.712 4.984 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.626 -0.177 1.781 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.488 1.614 5.479 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -5.232 1.637 1.395 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.112 3.417 5.102 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.654 4.268 3.766 1.00 15.00 H new ATOM 280 N PHE A 298 -0.193 -0.684 1.045 1.00 15.00 N ATOM 281 CA PHE A 298 0.003 -0.287 -0.308 1.00 15.00 C ATOM 282 C PHE A 298 -1.174 -0.485 -1.192 1.00 15.00 C ATOM 283 O PHE A 298 -1.936 -1.434 -1.061 1.00 15.00 O ATOM 284 CB PHE A 298 1.181 -1.004 -0.885 1.00 15.00 C ATOM 285 CG PHE A 298 2.396 -0.222 -0.665 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.506 1.008 -1.279 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.419 -0.686 0.131 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.622 1.766 -1.113 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.551 0.065 0.292 1.00 15.00 C ATOM 290 CZ PHE A 298 4.644 1.292 -0.335 1.00 15.00 C ATOM 0 H PHE A 298 -0.053 -1.680 1.216 1.00 15.00 H new ATOM 0 HA PHE A 298 0.174 0.789 -0.271 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.282 -1.986 -0.423 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.031 -1.167 -1.952 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.699 1.372 -1.897 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.328 -1.641 0.627 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.702 2.732 -1.590 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.364 -0.298 0.903 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.537 1.887 -0.210 1.00 15.00 H new ATOM 300 N VAL A 299 -1.241 0.413 -2.138 1.00 15.00 N ATOM 301 CA VAL A 299 -2.208 0.368 -3.197 1.00 15.00 C ATOM 302 C VAL A 299 -1.539 0.896 -4.468 1.00 15.00 C ATOM 303 O VAL A 299 -1.363 2.103 -4.669 1.00 15.00 O ATOM 304 CB VAL A 299 -3.516 1.134 -2.843 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.283 0.418 -1.736 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.241 2.567 -2.425 1.00 15.00 C ATOM 0 H VAL A 299 -0.610 1.213 -2.193 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.529 -0.661 -3.357 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.123 1.154 -3.748 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.193 0.973 -1.506 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.544 -0.587 -2.066 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.661 0.356 -0.843 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.182 3.064 -2.187 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.596 2.572 -1.547 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.748 3.096 -3.241 1.00 15.00 H new ATOM 316 N ASP A 300 -1.067 -0.041 -5.272 1.00 15.00 N ATOM 317 CA ASP A 300 -0.333 0.280 -6.489 1.00 15.00 C ATOM 318 C ASP A 300 -1.275 0.334 -7.685 1.00 15.00 C ATOM 319 O ASP A 300 -2.118 -0.553 -7.857 1.00 15.00 O ATOM 320 CB ASP A 300 0.788 -0.747 -6.716 1.00 15.00 C ATOM 321 CG ASP A 300 1.028 -1.034 -8.185 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.554 -0.151 -8.891 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.663 -2.136 -8.645 1.00 15.00 O ATOM 0 H ASP A 300 -1.179 -1.041 -5.103 1.00 15.00 H new ATOM 0 HA ASP A 300 0.121 1.265 -6.376 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.710 -0.378 -6.266 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.534 -1.676 -6.205 1.00 15.00 H new ATOM 328 N HIS A 301 -1.095 1.362 -8.519 1.00 15.00 N ATOM 329 CA HIS A 301 -1.984 1.620 -9.657 1.00 15.00 C ATOM 330 C HIS A 301 -1.717 0.677 -10.827 1.00 15.00 C ATOM 331 O HIS A 301 -2.551 0.547 -11.721 1.00 15.00 O ATOM 332 CB HIS A 301 -1.840 3.061 -10.157 1.00 15.00 C ATOM 333 CG HIS A 301 -2.534 4.099 -9.326 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.891 4.339 -9.401 1.00 15.00 N ATOM 335 CD2 HIS A 301 -2.047 4.995 -8.434 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.205 5.345 -8.603 1.00 15.00 C ATOM 337 NE2 HIS A 301 -3.105 5.758 -8.002 1.00 15.00 N ATOM 0 H HIS A 301 -0.334 2.035 -8.426 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.996 1.450 -9.290 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.779 3.307 -10.205 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.227 3.116 -11.175 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -1.018 5.092 -8.121 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.193 5.758 -8.466 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -3.049 6.520 -7.326 1.00 15.00 H new ATOM 346 N ASN A 302 -0.550 0.048 -10.844 1.00 15.00 N ATOM 347 CA ASN A 302 -0.188 -0.828 -11.954 1.00 15.00 C ATOM 348 C ASN A 302 -0.968 -2.129 -11.880 1.00 15.00 C ATOM 349 O ASN A 302 -1.564 -2.565 -12.862 1.00 15.00 O ATOM 350 CB ASN A 302 1.316 -1.130 -11.966 1.00 15.00 C ATOM 351 CG ASN A 302 2.166 0.099 -12.227 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.450 0.439 -13.378 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.591 0.763 -11.167 1.00 15.00 N ATOM 0 H ASN A 302 0.156 0.125 -10.112 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.440 -0.306 -12.877 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.601 -1.565 -11.008 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.525 -1.878 -12.731 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.177 1.590 -11.284 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.334 0.449 -10.231 1.00 15.00 H new ATOM 360 N ASN A 303 -0.943 -2.748 -10.714 1.00 15.00 N ATOM 361 CA ASN A 303 -1.624 -4.019 -10.496 1.00 15.00 C ATOM 362 C ASN A 303 -2.987 -3.818 -9.840 1.00 15.00 C ATOM 363 O ASN A 303 -3.805 -4.742 -9.801 1.00 15.00 O ATOM 364 CB ASN A 303 -0.762 -4.935 -9.624 1.00 15.00 C ATOM 365 CG ASN A 303 0.594 -5.222 -10.237 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.765 -6.200 -10.962 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.568 -4.370 -9.952 1.00 15.00 N ATOM 0 H ASN A 303 -0.454 -2.390 -9.893 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.781 -4.483 -11.470 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.624 -4.474 -8.646 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.289 -5.875 -9.461 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.501 -4.514 -10.339 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.385 -3.570 -9.346 1.00 15.00 H new ATOM 374 N ARG A 304 -3.213 -2.618 -9.302 1.00 15.00 N ATOM 375 CA ARG A 304 -4.406 -2.316 -8.504 1.00 15.00 C ATOM 376 C ARG A 304 -4.417 -3.187 -7.257 1.00 15.00 C ATOM 377 O ARG A 304 -5.473 -3.576 -6.761 1.00 15.00 O ATOM 378 CB ARG A 304 -5.699 -2.534 -9.298 1.00 15.00 C ATOM 379 CG ARG A 304 -5.789 -1.734 -10.586 1.00 15.00 C ATOM 380 CD ARG A 304 -7.157 -1.892 -11.227 1.00 15.00 C ATOM 381 NE ARG A 304 -8.230 -1.471 -10.324 1.00 15.00 N ATOM 382 CZ ARG A 304 -9.529 -1.572 -10.601 1.00 15.00 C ATOM 383 NH1 ARG A 304 -9.932 -2.092 -11.753 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -10.426 -1.157 -9.716 1.00 15.00 N ATOM 0 H ARG A 304 -2.576 -1.828 -9.406 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.363 -1.263 -8.227 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.790 -3.594 -9.536 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.548 -2.276 -8.664 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.599 -0.681 -10.379 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -5.017 -2.066 -11.280 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.200 -1.303 -12.143 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.308 -2.934 -11.511 1.00 15.00 H new ATOM 0 HE ARG A 304 -7.965 -1.074 -9.423 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -9.245 -2.418 -12.433 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -10.928 -2.166 -11.958 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -10.120 -0.762 -8.827 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -11.421 -1.233 -9.925 1.00 15.00 H new ATOM 398 N THR A 305 -3.235 -3.436 -6.723 1.00 15.00 N ATOM 399 CA THR A 305 -3.077 -4.433 -5.674 1.00 15.00 C ATOM 400 C THR A 305 -2.744 -3.801 -4.325 1.00 15.00 C ATOM 401 O THR A 305 -1.959 -2.852 -4.247 1.00 15.00 O ATOM 402 CB THR A 305 -1.982 -5.454 -6.051 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.362 -6.145 -7.250 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.752 -6.461 -4.932 1.00 15.00 C ATOM 0 H THR A 305 -2.372 -2.965 -6.995 1.00 15.00 H new ATOM 0 HA THR A 305 -4.035 -4.945 -5.579 1.00 15.00 H new ATOM 0 HB THR A 305 -1.052 -4.910 -6.213 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.666 -6.792 -7.490 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.975 -7.165 -5.230 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.439 -5.936 -4.029 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.677 -7.003 -4.735 1.00 15.00 H new ATOM 412 N THR A 306 -3.363 -4.329 -3.273 1.00 15.00 N ATOM 413 CA THR A 306 -3.064 -3.921 -1.914 1.00 15.00 C ATOM 414 C THR A 306 -2.027 -4.861 -1.295 1.00 15.00 C ATOM 415 O THR A 306 -2.177 -6.083 -1.338 1.00 15.00 O ATOM 416 CB THR A 306 -4.335 -3.915 -1.043 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.383 -3.192 -1.707 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.057 -3.281 0.312 1.00 15.00 C ATOM 0 H THR A 306 -4.082 -5.049 -3.343 1.00 15.00 H new ATOM 0 HA THR A 306 -2.663 -2.908 -1.951 1.00 15.00 H new ATOM 0 HB THR A 306 -4.648 -4.948 -0.888 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.978 -2.791 -1.039 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.968 -3.287 0.910 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.281 -3.848 0.826 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.723 -2.253 0.171 1.00 15.00 H new ATOM 426 N GLN A 307 -0.977 -4.286 -0.731 1.00 15.00 N ATOM 427 CA GLN A 307 0.106 -5.065 -0.141 1.00 15.00 C ATOM 428 C GLN A 307 0.399 -4.569 1.274 1.00 15.00 C ATOM 429 O GLN A 307 0.380 -3.369 1.523 1.00 15.00 O ATOM 430 CB GLN A 307 1.370 -4.931 -1.002 1.00 15.00 C ATOM 431 CG GLN A 307 1.244 -5.485 -2.422 1.00 15.00 C ATOM 432 CD GLN A 307 1.449 -6.988 -2.512 1.00 15.00 C ATOM 433 OE1 GLN A 307 1.136 -7.707 -1.451 1.00 15.00 O flip ATOM 434 NE2 GLN A 307 1.896 -7.499 -3.539 1.00 15.00 N flip ATOM 0 H GLN A 307 -0.849 -3.276 -0.668 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.196 -6.112 -0.098 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.641 -3.877 -1.062 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.190 -5.443 -0.499 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.257 -5.238 -2.813 1.00 15.00 H new ATOM 0 HG3 GLN A 307 1.973 -4.989 -3.062 1.00 15.00 H new ATOM 0 HE21 GLN A 307 2.128 -6.913 -4.341 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.035 -8.508 -3.588 1.00 15.00 H new ATOM 443 N PHE A 308 0.681 -5.484 2.190 1.00 15.00 N ATOM 444 CA PHE A 308 1.088 -5.109 3.545 1.00 15.00 C ATOM 445 C PHE A 308 2.603 -5.198 3.670 1.00 15.00 C ATOM 446 O PHE A 308 3.190 -4.775 4.666 1.00 15.00 O ATOM 447 CB PHE A 308 0.430 -6.010 4.598 1.00 15.00 C ATOM 448 CG PHE A 308 -0.672 -5.346 5.384 1.00 15.00 C ATOM 449 CD1 PHE A 308 -0.729 -3.970 5.518 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.645 -6.108 6.008 1.00 15.00 C ATOM 451 CE1 PHE A 308 -1.735 -3.375 6.256 1.00 15.00 C ATOM 452 CE2 PHE A 308 -2.651 -5.520 6.738 1.00 15.00 C ATOM 453 CZ PHE A 308 -2.699 -4.151 6.863 1.00 15.00 C ATOM 0 H PHE A 308 0.637 -6.490 2.025 1.00 15.00 H new ATOM 0 HA PHE A 308 0.761 -4.085 3.724 1.00 15.00 H new ATOM 0 HB2 PHE A 308 0.025 -6.892 4.102 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.196 -6.357 5.291 1.00 15.00 H new ATOM 0 HD1 PHE A 308 0.020 -3.355 5.041 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.613 -7.184 5.920 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -1.766 -2.300 6.357 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.403 -6.133 7.213 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.489 -3.686 7.434 1.00 15.00 H new ATOM 463 N THR A 309 3.221 -5.777 2.654 1.00 15.00 N ATOM 464 CA THR A 309 4.661 -5.956 2.628 1.00 15.00 C ATOM 465 C THR A 309 5.368 -4.760 1.990 1.00 15.00 C ATOM 466 O THR A 309 5.436 -4.636 0.766 1.00 15.00 O ATOM 467 CB THR A 309 5.031 -7.253 1.882 1.00 15.00 C ATOM 468 OG1 THR A 309 4.158 -7.439 0.756 1.00 15.00 O ATOM 469 CG2 THR A 309 4.936 -8.459 2.808 1.00 15.00 C ATOM 0 H THR A 309 2.740 -6.134 1.828 1.00 15.00 H new ATOM 0 HA THR A 309 5.000 -6.031 3.661 1.00 15.00 H new ATOM 0 HB THR A 309 6.060 -7.163 1.534 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.401 -8.264 0.287 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.202 -9.362 2.258 1.00 15.00 H new ATOM 0 HG22 THR A 309 5.621 -8.329 3.646 1.00 15.00 H new ATOM 0 HG23 THR A 309 3.917 -8.550 3.184 1.00 15.00 H new ATOM 477 N ASP A 310 5.872 -3.868 2.833 1.00 15.00 N ATOM 478 CA ASP A 310 6.621 -2.706 2.366 1.00 15.00 C ATOM 479 C ASP A 310 8.080 -3.079 2.126 1.00 15.00 C ATOM 480 O ASP A 310 8.736 -3.650 3.001 1.00 15.00 O ATOM 481 CB ASP A 310 6.530 -1.559 3.376 1.00 15.00 C ATOM 482 CG ASP A 310 7.417 -0.388 2.997 1.00 15.00 C ATOM 483 OD1 ASP A 310 6.988 0.461 2.198 1.00 15.00 O ATOM 484 OD2 ASP A 310 8.554 -0.315 3.504 1.00 15.00 O1- ATOM 0 H ASP A 310 5.776 -3.926 3.847 1.00 15.00 H new ATOM 0 HA ASP A 310 6.182 -2.372 1.426 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.496 -1.221 3.447 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.815 -1.923 4.363 1.00 15.00 H new ATOM 489 N PRO A 311 8.606 -2.758 0.935 1.00 15.00 N ATOM 490 CA PRO A 311 9.961 -3.140 0.536 1.00 15.00 C ATOM 491 C PRO A 311 11.057 -2.244 1.120 1.00 15.00 C ATOM 492 O PRO A 311 12.235 -2.598 1.081 1.00 15.00 O ATOM 493 CB PRO A 311 9.916 -3.008 -0.985 1.00 15.00 C ATOM 494 CG PRO A 311 8.931 -1.920 -1.238 1.00 15.00 C ATOM 495 CD PRO A 311 7.913 -2.001 -0.127 1.00 15.00 C ATOM 0 HA PRO A 311 10.217 -4.135 0.901 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.896 -2.758 -1.390 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.606 -3.941 -1.455 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.421 -0.946 -1.246 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.455 -2.045 -2.211 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.617 -1.010 0.217 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.006 -2.509 -0.453 1.00 15.00 H new ATOM 628 N PRO B 207 -6.231 -9.183 6.609 1.00 15.00 N ATOM 629 CA PRO B 207 -6.588 -8.569 5.323 1.00 15.00 C ATOM 630 C PRO B 207 -6.419 -7.048 5.315 1.00 15.00 C ATOM 631 O PRO B 207 -7.033 -6.335 6.114 1.00 15.00 O ATOM 632 CB PRO B 207 -8.059 -8.942 5.149 1.00 15.00 C ATOM 633 CG PRO B 207 -8.220 -10.204 5.920 1.00 15.00 C ATOM 634 CD PRO B 207 -7.288 -10.089 7.096 1.00 15.00 C ATOM 0 HA PRO B 207 -5.941 -8.921 4.520 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.714 -8.159 5.530 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.310 -9.085 4.098 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.251 -10.332 6.250 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -7.971 -11.071 5.307 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -7.794 -9.682 7.971 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -6.884 -11.059 7.384 1.00 15.00 H new ATOM 642 N PRO B 208 -5.551 -6.553 4.419 1.00 15.00 N ATOM 643 CA PRO B 208 -5.315 -5.117 4.223 1.00 15.00 C ATOM 644 C PRO B 208 -6.543 -4.388 3.654 1.00 15.00 C ATOM 645 O PRO B 208 -7.475 -5.020 3.154 1.00 15.00 O ATOM 646 CB PRO B 208 -4.156 -5.084 3.218 1.00 15.00 C ATOM 647 CG PRO B 208 -4.210 -6.399 2.525 1.00 15.00 C ATOM 648 CD PRO B 208 -4.685 -7.373 3.558 1.00 15.00 C ATOM 0 HA PRO B 208 -5.100 -4.609 5.163 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.269 -4.261 2.512 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.200 -4.943 3.722 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.890 -6.367 1.673 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.230 -6.681 2.140 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.232 -8.202 3.109 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -3.855 -7.805 4.116 1.00 15.00 H new ATOM 656 N PRO B 209 -6.534 -3.042 3.696 1.00 15.00 N ATOM 657 CA PRO B 209 -7.653 -2.209 3.227 1.00 15.00 C ATOM 658 C PRO B 209 -7.854 -2.303 1.711 1.00 15.00 C ATOM 659 O PRO B 209 -6.887 -2.249 0.951 1.00 15.00 O ATOM 660 CB PRO B 209 -7.230 -0.780 3.619 1.00 15.00 C ATOM 661 CG PRO B 209 -6.096 -0.942 4.567 1.00 15.00 C ATOM 662 CD PRO B 209 -5.424 -2.222 4.192 1.00 15.00 C ATOM 0 HA PRO B 209 -8.601 -2.524 3.664 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.929 -0.207 2.742 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.055 -0.241 4.084 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.404 -0.103 4.495 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.451 -0.975 5.597 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.662 -2.069 3.428 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.930 -2.685 5.047 1.00 15.00 H new ATOM 670 N PRO B 210 -9.118 -2.437 1.261 1.00 15.00 N ATOM 671 CA PRO B 210 -9.462 -2.528 -0.173 1.00 15.00 C ATOM 672 C PRO B 210 -8.875 -1.379 -0.995 1.00 15.00 C ATOM 673 O PRO B 210 -8.751 -0.254 -0.504 1.00 15.00 O ATOM 674 CB PRO B 210 -10.991 -2.446 -0.173 1.00 15.00 C ATOM 675 CG PRO B 210 -11.402 -2.933 1.172 1.00 15.00 C ATOM 676 CD PRO B 210 -10.314 -2.508 2.119 1.00 15.00 C ATOM 0 HA PRO B 210 -9.062 -3.435 -0.627 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.332 -1.425 -0.344 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.419 -3.062 -0.964 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.362 -2.507 1.464 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.520 -4.017 1.175 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.536 -1.545 2.579 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.184 -3.226 2.929 1.00 15.00 H new ATOM 684 N TYR B 211 -8.547 -1.654 -2.258 1.00 15.00 N ATOM 685 CA TYR B 211 -7.889 -0.667 -3.102 1.00 15.00 C ATOM 686 C TYR B 211 -8.824 0.478 -3.479 1.00 15.00 C ATOM 687 O TYR B 211 -9.670 0.349 -4.365 1.00 15.00 O ATOM 688 CB TYR B 211 -7.301 -1.304 -4.372 1.00 15.00 C ATOM 689 CG TYR B 211 -6.632 -0.303 -5.298 1.00 15.00 C ATOM 690 CD1 TYR B 211 -6.031 0.835 -4.781 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.589 -0.492 -6.678 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.409 1.750 -5.594 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.963 0.436 -7.498 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.381 1.545 -6.945 1.00 15.00 C ATOM 695 OH TYR B 211 -4.754 2.448 -7.749 1.00 15.00 O ATOM 0 H TYR B 211 -8.727 -2.549 -2.714 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.070 -0.257 -2.510 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.574 -2.063 -4.085 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -8.097 -1.814 -4.915 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -6.053 1.005 -3.715 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.047 -1.368 -7.113 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.944 2.627 -5.168 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.935 0.284 -8.567 1.00 15.00 H new ATOM 0 HH TYR B 211 -5.385 2.783 -8.420 1.00 15.00 H new ATOM 705 N SER B 212 -8.674 1.582 -2.767 1.00 15.00 N ATOM 706 CA SER B 212 -9.284 2.842 -3.146 1.00 15.00 C ATOM 707 C SER B 212 -8.334 3.549 -4.109 1.00 15.00 C ATOM 708 O SER B 212 -7.140 3.653 -3.824 1.00 15.00 O ATOM 709 CB SER B 212 -9.529 3.692 -1.893 1.00 15.00 C ATOM 710 OG SER B 212 -10.192 4.909 -2.198 1.00 15.00 O ATOM 0 H SER B 212 -8.125 1.628 -1.909 1.00 15.00 H new ATOM 0 HA SER B 212 -10.246 2.680 -3.633 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.125 3.123 -1.180 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.576 3.909 -1.410 1.00 15.00 H new ATOM 0 HG SER B 212 -10.331 5.421 -1.374 1.00 15.00 H new ATOM 716 N ARG B 213 -8.855 4.047 -5.231 1.00 15.00 N ATOM 717 CA ARG B 213 -8.000 4.597 -6.286 1.00 15.00 C ATOM 718 C ARG B 213 -7.174 5.761 -5.755 1.00 15.00 C ATOM 719 O ARG B 213 -5.957 5.808 -5.944 1.00 15.00 O ATOM 720 CB ARG B 213 -8.834 5.073 -7.481 1.00 15.00 C ATOM 721 CG ARG B 213 -9.723 4.000 -8.086 1.00 15.00 C ATOM 722 CD ARG B 213 -10.417 4.500 -9.345 1.00 15.00 C ATOM 723 NE ARG B 213 -11.195 5.717 -9.103 1.00 15.00 N ATOM 724 CZ ARG B 213 -12.213 6.120 -9.865 1.00 15.00 C ATOM 725 NH1 ARG B 213 -12.592 5.400 -10.915 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.848 7.248 -9.576 1.00 15.00 N ATOM 0 H ARG B 213 -9.854 4.081 -5.433 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.333 3.800 -6.616 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.457 5.910 -7.165 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.162 5.450 -8.252 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.125 3.120 -8.323 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.470 3.690 -7.356 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.671 4.695 -10.116 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -11.075 3.721 -9.729 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.942 6.293 -8.300 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -12.104 4.534 -11.142 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -13.371 5.713 -11.494 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.558 7.805 -8.773 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.627 7.558 -10.157 1.00 15.00 H new ATOM 740 N TYR B 214 -7.842 6.709 -5.119 1.00 15.00 N ATOM 741 CA TYR B 214 -7.158 7.801 -4.455 1.00 15.00 C ATOM 742 C TYR B 214 -7.504 7.787 -2.973 1.00 15.00 C ATOM 743 O TYR B 214 -8.538 8.305 -2.553 1.00 15.00 O ATOM 744 CB TYR B 214 -7.501 9.146 -5.107 1.00 15.00 C ATOM 745 CG TYR B 214 -6.904 9.307 -6.492 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.342 8.527 -7.556 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.890 10.225 -6.732 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.790 8.654 -8.815 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.334 10.363 -7.992 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.787 9.573 -9.030 1.00 15.00 C ATOM 751 OH TYR B 214 -5.233 9.702 -10.285 1.00 15.00 O ATOM 0 H TYR B 214 -8.859 6.742 -5.050 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.081 7.667 -4.561 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.585 9.246 -5.171 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.144 9.954 -4.468 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.130 7.807 -7.394 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.529 10.842 -5.922 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -7.143 8.036 -9.627 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.549 11.085 -8.163 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.540 10.394 -10.267 1.00 15.00 H new ATOM 761 N PRO B 215 -6.652 7.134 -2.168 1.00 15.00 N ATOM 762 CA PRO B 215 -6.905 6.899 -0.754 1.00 15.00 C ATOM 763 C PRO B 215 -6.406 8.034 0.131 1.00 15.00 C ATOM 764 O PRO B 215 -6.523 7.978 1.357 1.00 15.00 O ATOM 765 CB PRO B 215 -6.127 5.604 -0.468 1.00 15.00 C ATOM 766 CG PRO B 215 -5.224 5.376 -1.650 1.00 15.00 C ATOM 767 CD PRO B 215 -5.371 6.552 -2.574 1.00 15.00 C ATOM 0 HA PRO B 215 -7.971 6.831 -0.538 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.547 5.695 0.451 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.809 4.764 -0.333 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.189 5.272 -1.325 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.491 4.452 -2.162 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.551 7.261 -2.458 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.381 6.245 -3.620 1.00 15.00 H new