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 HE2:sc= 1.08 K(o=2.5,f=-9.3!) USER MOD Set 1.2: B 211 TYR OH : rot 27:sc= 1.46! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -46:sc= -0.0374 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= 1.13 K(o=1.1,f=-0.2) USER MOD Single : A 303 ASN : amide:sc= 1.2 K(o=1.2,f=-0.13) USER MOD Single : A 305 THR OG1 : rot 51:sc= 0.321 USER MOD Single : A 306 THR OG1 : rot 54:sc= 1.24 USER MOD Single : A 307 GLN : amide:sc=-0.00849 X(o=-0.0085,f=0.35) 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 9.449 4.634 -6.361 1.00 15.00 N ATOM 44 CA PRO A 283 8.686 4.630 -7.614 1.00 15.00 C ATOM 45 C PRO A 283 7.376 5.410 -7.512 1.00 15.00 C ATOM 46 O PRO A 283 6.564 5.165 -6.619 1.00 15.00 O ATOM 47 CB PRO A 283 8.398 3.141 -7.871 1.00 15.00 C ATOM 48 CG PRO A 283 8.806 2.423 -6.627 1.00 15.00 C ATOM 49 CD PRO A 283 9.852 3.278 -5.975 1.00 15.00 C ATOM 0 HA PRO A 283 9.244 5.114 -8.416 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.342 2.979 -8.086 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.958 2.778 -8.733 1.00 15.00 H new ATOM 0 HG2 PRO A 283 7.953 2.278 -5.964 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.201 1.434 -6.860 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.861 3.151 -4.892 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.853 3.036 -6.333 1.00 15.00 H new ATOM 57 N PRO A 284 7.146 6.349 -8.450 1.00 15.00 N ATOM 58 CA PRO A 284 5.954 7.213 -8.456 1.00 15.00 C ATOM 59 C PRO A 284 4.666 6.453 -8.778 1.00 15.00 C ATOM 60 O PRO A 284 3.584 7.040 -8.855 1.00 15.00 O ATOM 61 CB PRO A 284 6.261 8.231 -9.555 1.00 15.00 C ATOM 62 CG PRO A 284 7.203 7.528 -10.465 1.00 15.00 C ATOM 63 CD PRO A 284 8.043 6.648 -9.583 1.00 15.00 C ATOM 0 HA PRO A 284 5.776 7.656 -7.476 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.355 8.534 -10.079 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.708 9.136 -9.143 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.664 6.938 -11.206 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.822 8.239 -11.012 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.355 5.740 -10.100 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.950 7.156 -9.255 1.00 15.00 H new ATOM 71 N GLY A 285 4.793 5.152 -8.992 1.00 15.00 N ATOM 72 CA GLY A 285 3.627 4.317 -9.180 1.00 15.00 C ATOM 73 C GLY A 285 3.123 3.777 -7.859 1.00 15.00 C ATOM 74 O GLY A 285 1.996 3.287 -7.760 1.00 15.00 O ATOM 0 H GLY A 285 5.685 4.660 -9.039 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.839 4.892 -9.665 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.873 3.489 -9.845 1.00 15.00 H new ATOM 78 N TRP A 286 3.969 3.882 -6.841 1.00 15.00 N ATOM 79 CA TRP A 286 3.654 3.391 -5.512 1.00 15.00 C ATOM 80 C TRP A 286 3.010 4.479 -4.669 1.00 15.00 C ATOM 81 O TRP A 286 3.655 5.472 -4.322 1.00 15.00 O ATOM 82 CB TRP A 286 4.925 2.849 -4.836 1.00 15.00 C ATOM 83 CG TRP A 286 5.237 1.458 -5.282 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.498 1.047 -6.558 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.277 0.284 -4.464 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.671 -0.312 -6.590 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.540 -0.807 -5.321 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.108 0.037 -3.092 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.627 -2.116 -4.858 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.190 -1.265 -2.648 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.439 -2.327 -3.523 1.00 15.00 C ATOM 0 H TRP A 286 4.892 4.310 -6.917 1.00 15.00 H new ATOM 0 HA TRP A 286 2.935 2.577 -5.603 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.767 3.502 -5.066 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.796 2.864 -3.754 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.559 1.699 -7.417 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.866 -0.865 -7.425 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.919 0.846 -2.403 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.836 -2.935 -5.530 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.058 -1.471 -1.596 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.483 -3.334 -3.135 1.00 15.00 H new ATOM 102 N GLU A 287 1.729 4.310 -4.368 1.00 15.00 N ATOM 103 CA GLU A 287 1.029 5.256 -3.525 1.00 15.00 C ATOM 104 C GLU A 287 0.971 4.710 -2.099 1.00 15.00 C ATOM 105 O GLU A 287 0.268 3.736 -1.818 1.00 15.00 O ATOM 106 CB GLU A 287 -0.365 5.517 -4.098 1.00 15.00 C ATOM 107 CG GLU A 287 -1.203 6.510 -3.311 1.00 15.00 C ATOM 108 CD GLU A 287 -0.585 7.890 -3.266 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.512 8.551 -4.321 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.164 8.318 -2.173 1.00 15.00 O ATOM 0 H GLU A 287 1.160 3.529 -4.696 1.00 15.00 H new ATOM 0 HA GLU A 287 1.557 6.209 -3.498 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.260 5.882 -5.120 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.903 4.571 -4.151 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.195 6.575 -3.757 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.334 6.142 -2.293 1.00 15.00 H new ATOM 117 N VAL A 288 1.759 5.312 -1.217 1.00 15.00 N ATOM 118 CA VAL A 288 1.921 4.807 0.140 1.00 15.00 C ATOM 119 C VAL A 288 0.945 5.479 1.110 1.00 15.00 C ATOM 120 O VAL A 288 0.882 6.707 1.200 1.00 15.00 O ATOM 121 CB VAL A 288 3.384 4.981 0.629 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.837 6.430 0.520 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.546 4.472 2.053 1.00 15.00 C ATOM 0 H VAL A 288 2.298 6.154 -1.419 1.00 15.00 H new ATOM 0 HA VAL A 288 1.691 3.742 0.120 1.00 15.00 H new ATOM 0 HB VAL A 288 4.021 4.383 -0.022 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.865 6.517 0.870 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.779 6.752 -0.520 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.191 7.060 1.131 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.580 4.605 2.372 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.887 5.032 2.717 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.288 3.414 2.093 1.00 15.00 H new ATOM 133 N ARG A 289 0.178 4.655 1.816 1.00 15.00 N ATOM 134 CA ARG A 289 -0.823 5.130 2.767 1.00 15.00 C ATOM 135 C ARG A 289 -0.751 4.299 4.048 1.00 15.00 C ATOM 136 O ARG A 289 -0.390 3.122 4.006 1.00 15.00 O ATOM 137 CB ARG A 289 -2.217 5.052 2.132 1.00 15.00 C ATOM 138 CG ARG A 289 -2.413 6.041 0.995 1.00 15.00 C ATOM 139 CD ARG A 289 -2.145 7.478 1.429 1.00 15.00 C ATOM 140 NE ARG A 289 -1.751 8.316 0.295 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.796 9.648 0.279 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.198 10.330 1.345 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.407 10.300 -0.806 1.00 15.00 N ATOM 0 H ARG A 289 0.232 3.639 1.746 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.624 6.170 3.024 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.383 4.041 1.759 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.969 5.236 2.899 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.748 5.782 0.172 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.433 5.961 0.618 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.040 7.891 1.895 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.358 7.491 2.183 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.417 7.845 -0.546 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.478 9.835 2.192 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.227 11.349 1.317 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.076 9.783 -1.621 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.438 11.319 -0.827 1.00 15.00 H new ATOM 157 N SER A 290 -1.092 4.900 5.180 1.00 15.00 N ATOM 158 CA SER A 290 -0.928 4.240 6.470 1.00 15.00 C ATOM 159 C SER A 290 -2.259 4.083 7.206 1.00 15.00 C ATOM 160 O SER A 290 -3.170 4.893 7.054 1.00 15.00 O ATOM 161 CB SER A 290 0.049 5.043 7.332 1.00 15.00 C ATOM 162 OG SER A 290 -0.392 6.381 7.516 1.00 15.00 O ATOM 0 H SER A 290 -1.483 5.841 5.232 1.00 15.00 H new ATOM 0 HA SER A 290 -0.534 3.240 6.287 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.161 4.560 8.303 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.032 5.045 6.862 1.00 15.00 H new ATOM 0 HG SER A 290 0.254 6.865 8.072 1.00 15.00 H new ATOM 168 N THR A 291 -2.365 3.036 8.012 1.00 15.00 N ATOM 169 CA THR A 291 -3.522 2.863 8.874 1.00 15.00 C ATOM 170 C THR A 291 -3.123 3.079 10.333 1.00 15.00 C ATOM 171 O THR A 291 -2.025 2.684 10.744 1.00 15.00 O ATOM 172 CB THR A 291 -4.163 1.472 8.697 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.168 0.448 8.829 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.843 1.361 7.336 1.00 15.00 C ATOM 0 H THR A 291 -1.666 2.297 8.086 1.00 15.00 H new ATOM 0 HA THR A 291 -4.266 3.607 8.588 1.00 15.00 H new ATOM 0 HB THR A 291 -4.916 1.341 9.474 1.00 15.00 H new ATOM 0 HG1 THR A 291 -2.379 0.689 8.301 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.289 0.372 7.232 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.621 2.120 7.255 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.106 1.512 6.548 1.00 15.00 H new ATOM 182 N VAL A 292 -4.015 3.698 11.110 1.00 15.00 N ATOM 183 CA VAL A 292 -3.722 4.103 12.492 1.00 15.00 C ATOM 184 C VAL A 292 -3.347 2.921 13.389 1.00 15.00 C ATOM 185 O VAL A 292 -2.767 3.108 14.458 1.00 15.00 O ATOM 186 CB VAL A 292 -4.906 4.860 13.123 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.152 6.169 12.391 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.165 4.001 13.123 1.00 15.00 C ATOM 0 H VAL A 292 -4.959 3.933 10.803 1.00 15.00 H new ATOM 0 HA VAL A 292 -2.860 4.767 12.426 1.00 15.00 H new ATOM 0 HB VAL A 292 -4.651 5.085 14.159 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.992 6.690 12.850 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.260 6.793 12.452 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.380 5.964 11.345 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.986 4.559 13.574 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.425 3.737 12.098 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.985 3.092 13.697 1.00 15.00 H new ATOM 198 N SER A 293 -3.674 1.713 12.945 1.00 15.00 N ATOM 199 CA SER A 293 -3.276 0.493 13.637 1.00 15.00 C ATOM 200 C SER A 293 -1.754 0.334 13.644 1.00 15.00 C ATOM 201 O SER A 293 -1.201 -0.492 14.369 1.00 15.00 O ATOM 202 CB SER A 293 -3.939 -0.719 12.983 1.00 15.00 C ATOM 203 OG SER A 293 -5.350 -0.593 13.025 1.00 15.00 O ATOM 0 H SER A 293 -4.220 1.552 12.099 1.00 15.00 H new ATOM 0 HA SER A 293 -3.608 0.562 14.673 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.606 -0.810 11.949 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.633 -1.630 13.497 1.00 15.00 H new ATOM 0 HG SER A 293 -5.761 -1.375 12.601 1.00 15.00 H new ATOM 209 N GLY A 294 -1.090 1.112 12.801 1.00 15.00 N ATOM 210 CA GLY A 294 0.342 1.007 12.661 1.00 15.00 C ATOM 211 C GLY A 294 0.716 0.022 11.583 1.00 15.00 C ATOM 212 O GLY A 294 1.776 -0.598 11.632 1.00 15.00 O ATOM 0 H GLY A 294 -1.525 1.819 12.208 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.759 1.986 12.423 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.780 0.696 13.609 1.00 15.00 H new ATOM 216 N ARG A 295 -0.164 -0.116 10.604 1.00 15.00 N ATOM 217 CA ARG A 295 0.097 -0.974 9.463 1.00 15.00 C ATOM 218 C ARG A 295 0.252 -0.129 8.211 1.00 15.00 C ATOM 219 O ARG A 295 -0.613 0.693 7.895 1.00 15.00 O ATOM 220 CB ARG A 295 -1.030 -1.995 9.256 1.00 15.00 C ATOM 221 CG ARG A 295 -1.116 -3.056 10.342 1.00 15.00 C ATOM 222 CD ARG A 295 -2.082 -4.175 9.962 1.00 15.00 C ATOM 223 NE ARG A 295 -3.441 -3.684 9.712 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.507 -4.479 9.594 1.00 15.00 C ATOM 225 NH1 ARG A 295 -4.389 -5.789 9.789 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.693 -3.965 9.288 1.00 15.00 N ATOM 0 H ARG A 295 -1.067 0.357 10.578 1.00 15.00 H new ATOM 0 HA ARG A 295 1.019 -1.522 9.660 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.981 -1.465 9.205 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.888 -2.487 8.294 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.126 -3.475 10.521 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.441 -2.596 11.275 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.713 -4.682 9.071 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -2.108 -4.915 10.762 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.580 -2.677 9.623 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -3.482 -6.189 10.030 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -5.205 -6.394 9.698 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.791 -2.960 9.142 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.506 -4.575 9.199 1.00 15.00 H new ATOM 240 N ILE A 296 1.347 -0.332 7.504 1.00 15.00 N ATOM 241 CA ILE A 296 1.562 0.345 6.241 1.00 15.00 C ATOM 242 C ILE A 296 0.976 -0.523 5.134 1.00 15.00 C ATOM 243 O ILE A 296 1.001 -1.749 5.231 1.00 15.00 O ATOM 244 CB ILE A 296 3.067 0.607 5.985 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.257 1.588 4.829 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.804 -0.693 5.704 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.709 2.968 5.115 1.00 15.00 C ATOM 0 H ILE A 296 2.101 -0.960 7.783 1.00 15.00 H new ATOM 0 HA ILE A 296 1.070 1.318 6.264 1.00 15.00 H new ATOM 0 HB ILE A 296 3.488 1.051 6.887 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.320 1.668 4.601 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.769 1.189 3.940 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.859 -0.482 5.527 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.705 -1.360 6.561 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.377 -1.170 4.822 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.878 3.613 4.252 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.639 2.901 5.314 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.214 3.387 5.985 1.00 15.00 H new ATOM 259 N TYR A 297 0.413 0.095 4.113 1.00 15.00 N ATOM 260 CA TYR A 297 -0.302 -0.660 3.111 1.00 15.00 C ATOM 261 C TYR A 297 -0.206 0.056 1.794 1.00 15.00 C ATOM 262 O TYR A 297 -0.176 1.288 1.736 1.00 15.00 O ATOM 263 CB TYR A 297 -1.769 -0.916 3.508 1.00 15.00 C ATOM 264 CG TYR A 297 -2.731 0.221 3.232 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.829 1.302 4.102 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.563 0.201 2.109 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.721 2.330 3.862 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.455 1.234 1.867 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.527 2.292 2.746 1.00 15.00 C ATOM 270 OH TYR A 297 -5.414 3.316 2.511 1.00 15.00 O ATOM 0 H TYR A 297 0.437 1.103 3.959 1.00 15.00 H new ATOM 0 HA TYR A 297 0.161 -1.643 3.023 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.120 -1.802 2.979 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.803 -1.146 4.573 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.199 1.338 4.978 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.510 -0.630 1.421 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.786 3.161 4.548 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -5.090 1.209 0.994 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.907 3.138 1.683 1.00 15.00 H new ATOM 280 N PHE A 298 -0.158 -0.706 0.746 1.00 15.00 N ATOM 281 CA PHE A 298 0.027 -0.159 -0.558 1.00 15.00 C ATOM 282 C PHE A 298 -1.152 -0.271 -1.449 1.00 15.00 C ATOM 283 O PHE A 298 -1.929 -1.204 -1.371 1.00 15.00 O ATOM 284 CB PHE A 298 1.201 -0.801 -1.222 1.00 15.00 C ATOM 285 CG PHE A 298 2.420 -0.050 -0.932 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.569 1.201 -1.492 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.409 -0.567 -0.128 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.692 1.931 -1.263 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.549 0.157 0.096 1.00 15.00 C ATOM 290 CZ PHE A 298 4.680 1.405 -0.477 1.00 15.00 C ATOM 0 H PHE A 298 -0.246 -1.722 0.772 1.00 15.00 H new ATOM 0 HA PHE A 298 0.194 0.907 -0.401 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.307 -1.829 -0.874 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.040 -0.844 -2.299 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.787 1.604 -2.118 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.287 -1.540 0.325 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.803 2.914 -1.696 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.338 -0.245 0.715 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.579 1.977 -0.302 1.00 15.00 H new ATOM 300 N VAL A 299 -1.231 0.695 -2.325 1.00 15.00 N ATOM 301 CA VAL A 299 -2.122 0.632 -3.446 1.00 15.00 C ATOM 302 C VAL A 299 -1.343 1.089 -4.679 1.00 15.00 C ATOM 303 O VAL A 299 -0.949 2.258 -4.822 1.00 15.00 O ATOM 304 CB VAL A 299 -3.457 1.420 -3.247 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.163 0.988 -1.968 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.268 2.923 -3.239 1.00 15.00 C ATOM 0 H VAL A 299 -0.676 1.550 -2.278 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.459 -0.397 -3.571 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.077 1.174 -4.109 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.089 1.552 -1.855 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.391 -0.077 -2.020 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.515 1.179 -1.113 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.233 3.410 -3.097 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.598 3.201 -2.426 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.837 3.241 -4.189 1.00 15.00 H new ATOM 316 N ASP A 300 -1.004 0.116 -5.502 1.00 15.00 N ATOM 317 CA ASP A 300 -0.291 0.371 -6.738 1.00 15.00 C ATOM 318 C ASP A 300 -1.278 0.408 -7.886 1.00 15.00 C ATOM 319 O ASP A 300 -2.115 -0.492 -8.020 1.00 15.00 O ATOM 320 CB ASP A 300 0.790 -0.694 -6.973 1.00 15.00 C ATOM 321 CG ASP A 300 1.062 -0.923 -8.449 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.539 0.010 -9.126 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.780 -2.030 -8.944 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.214 -0.868 -5.334 1.00 15.00 H new ATOM 0 HA ASP A 300 0.211 1.336 -6.671 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.712 -0.388 -6.479 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.479 -1.632 -6.513 1.00 15.00 H new ATOM 328 N HIS A 301 -1.166 1.445 -8.710 1.00 15.00 N ATOM 329 CA HIS A 301 -2.121 1.693 -9.784 1.00 15.00 C ATOM 330 C HIS A 301 -1.902 0.759 -10.970 1.00 15.00 C ATOM 331 O HIS A 301 -2.765 0.642 -11.838 1.00 15.00 O ATOM 332 CB HIS A 301 -2.030 3.141 -10.274 1.00 15.00 C ATOM 333 CG HIS A 301 -2.448 4.177 -9.271 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.763 4.432 -8.962 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.719 5.058 -8.545 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.828 5.432 -8.102 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.601 5.826 -7.831 1.00 15.00 N ATOM 0 H HIS A 301 -0.415 2.133 -8.653 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.111 1.505 -9.368 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -1.002 3.343 -10.576 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.650 3.247 -11.164 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.565 3.927 -9.339 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.642 5.140 -8.531 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.733 5.855 -7.691 1.00 15.00 H new ATOM 346 N ASN A 302 -0.749 0.113 -11.019 1.00 15.00 N ATOM 347 CA ASN A 302 -0.418 -0.745 -12.149 1.00 15.00 C ATOM 348 C ASN A 302 -1.094 -2.099 -12.011 1.00 15.00 C ATOM 349 O ASN A 302 -1.685 -2.607 -12.962 1.00 15.00 O ATOM 350 CB ASN A 302 1.095 -0.923 -12.287 1.00 15.00 C ATOM 351 CG ASN A 302 1.819 0.387 -12.534 1.00 15.00 C ATOM 352 OD1 ASN A 302 1.960 0.826 -13.674 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.286 1.020 -11.469 1.00 15.00 N ATOM 0 H ASN A 302 -0.030 0.164 -10.297 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.787 -0.258 -13.052 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.487 -1.384 -11.380 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.303 -1.609 -13.109 1.00 15.00 H new ATOM 0 HD21 ASN A 302 2.783 1.904 -11.578 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.149 0.624 -10.539 1.00 15.00 H new ATOM 360 N ASN A 303 -0.987 -2.691 -10.833 1.00 15.00 N ATOM 361 CA ASN A 303 -1.637 -3.967 -10.552 1.00 15.00 C ATOM 362 C ASN A 303 -3.001 -3.746 -9.904 1.00 15.00 C ATOM 363 O ASN A 303 -3.811 -4.672 -9.812 1.00 15.00 O ATOM 364 CB ASN A 303 -0.760 -4.832 -9.636 1.00 15.00 C ATOM 365 CG ASN A 303 0.574 -5.196 -10.265 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.715 -6.244 -10.899 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.563 -4.334 -10.088 1.00 15.00 N ATOM 0 H ASN A 303 -0.455 -2.309 -10.051 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.778 -4.488 -11.499 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.582 -4.298 -8.702 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.298 -5.746 -9.383 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.484 -4.526 -10.483 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.404 -3.478 -9.557 1.00 15.00 H new ATOM 374 N ARG A 304 -3.228 -2.518 -9.431 1.00 15.00 N ATOM 375 CA ARG A 304 -4.447 -2.157 -8.700 1.00 15.00 C ATOM 376 C ARG A 304 -4.614 -3.091 -7.514 1.00 15.00 C ATOM 377 O ARG A 304 -5.706 -3.569 -7.205 1.00 15.00 O ATOM 378 CB ARG A 304 -5.665 -2.181 -9.627 1.00 15.00 C ATOM 379 CG ARG A 304 -5.432 -1.372 -10.891 1.00 15.00 C ATOM 380 CD ARG A 304 -6.647 -1.323 -11.797 1.00 15.00 C ATOM 381 NE ARG A 304 -6.372 -0.511 -12.983 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.289 -0.122 -13.864 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.566 -0.447 -13.697 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.924 0.612 -14.907 1.00 15.00 N ATOM 0 H ARG A 304 -2.572 -1.745 -9.544 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.361 -1.137 -8.324 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.898 -3.212 -9.894 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.532 -1.785 -9.098 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.148 -0.356 -10.618 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.593 -1.800 -11.440 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.924 -2.333 -12.098 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.496 -0.908 -11.254 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.407 -0.223 -13.146 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.850 -0.999 -12.888 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.263 -0.144 -14.378 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -5.946 0.874 -15.029 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.622 0.914 -15.587 1.00 15.00 H new ATOM 398 N THR A 305 -3.506 -3.294 -6.826 1.00 15.00 N ATOM 399 CA THR A 305 -3.424 -4.282 -5.762 1.00 15.00 C ATOM 400 C THR A 305 -2.951 -3.643 -4.460 1.00 15.00 C ATOM 401 O THR A 305 -2.134 -2.718 -4.477 1.00 15.00 O ATOM 402 CB THR A 305 -2.468 -5.425 -6.168 1.00 15.00 C ATOM 403 OG1 THR A 305 -3.009 -6.135 -7.291 1.00 15.00 O ATOM 404 CG2 THR A 305 -2.224 -6.391 -5.016 1.00 15.00 C ATOM 0 H THR A 305 -2.639 -2.781 -6.987 1.00 15.00 H new ATOM 0 HA THR A 305 -4.421 -4.691 -5.601 1.00 15.00 H new ATOM 0 HB THR A 305 -1.511 -4.979 -6.439 1.00 15.00 H new ATOM 0 HG1 THR A 305 -3.256 -5.497 -7.993 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.547 -7.181 -5.341 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.780 -5.853 -4.178 1.00 15.00 H new ATOM 0 HG23 THR A 305 -3.171 -6.831 -4.703 1.00 15.00 H new ATOM 412 N THR A 306 -3.479 -4.127 -3.339 1.00 15.00 N ATOM 413 CA THR A 306 -3.074 -3.632 -2.039 1.00 15.00 C ATOM 414 C THR A 306 -2.280 -4.695 -1.269 1.00 15.00 C ATOM 415 O THR A 306 -2.670 -5.863 -1.210 1.00 15.00 O ATOM 416 CB THR A 306 -4.290 -3.138 -1.213 1.00 15.00 C ATOM 417 OG1 THR A 306 -3.838 -2.406 -0.068 1.00 15.00 O ATOM 418 CG2 THR A 306 -5.165 -4.283 -0.745 1.00 15.00 C ATOM 0 H THR A 306 -4.187 -4.861 -3.311 1.00 15.00 H new ATOM 0 HA THR A 306 -2.421 -2.775 -2.203 1.00 15.00 H new ATOM 0 HB THR A 306 -4.883 -2.498 -1.867 1.00 15.00 H new ATOM 0 HG1 THR A 306 -3.234 -1.690 -0.355 1.00 15.00 H new ATOM 0 HG21 THR A 306 -6.004 -3.889 -0.171 1.00 15.00 H new ATOM 0 HG22 THR A 306 -5.542 -4.830 -1.609 1.00 15.00 H new ATOM 0 HG23 THR A 306 -4.580 -4.955 -0.118 1.00 15.00 H new ATOM 426 N GLN A 307 -1.143 -4.283 -0.716 1.00 15.00 N ATOM 427 CA GLN A 307 -0.248 -5.184 0.011 1.00 15.00 C ATOM 428 C GLN A 307 0.120 -4.585 1.369 1.00 15.00 C ATOM 429 O GLN A 307 0.216 -3.368 1.501 1.00 15.00 O ATOM 430 CB GLN A 307 1.042 -5.403 -0.790 1.00 15.00 C ATOM 431 CG GLN A 307 0.873 -6.172 -2.093 1.00 15.00 C ATOM 432 CD GLN A 307 0.530 -7.634 -1.876 1.00 15.00 C ATOM 433 OE1 GLN A 307 -0.638 -8.012 -1.821 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.550 -8.469 -1.754 1.00 15.00 N ATOM 0 H GLN A 307 -0.815 -3.318 -0.758 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.764 -6.133 0.155 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.481 -4.431 -1.015 1.00 15.00 H new ATOM 0 HB3 GLN A 307 1.755 -5.937 -0.161 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.087 -5.704 -2.686 1.00 15.00 H new ATOM 0 HG3 GLN A 307 1.794 -6.102 -2.672 1.00 15.00 H new ATOM 0 HE21 GLN A 307 2.506 -8.117 -1.805 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.380 -9.464 -1.609 1.00 15.00 H new ATOM 443 N PHE A 308 0.355 -5.438 2.361 1.00 15.00 N ATOM 444 CA PHE A 308 0.880 -4.993 3.653 1.00 15.00 C ATOM 445 C PHE A 308 2.405 -5.075 3.675 1.00 15.00 C ATOM 446 O PHE A 308 3.057 -4.571 4.595 1.00 15.00 O ATOM 447 CB PHE A 308 0.314 -5.831 4.805 1.00 15.00 C ATOM 448 CG PHE A 308 -0.963 -5.298 5.392 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.123 -3.941 5.619 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.989 -6.154 5.747 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.282 -3.451 6.186 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.153 -5.668 6.309 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.300 -4.316 6.529 1.00 15.00 C ATOM 0 H PHE A 308 0.191 -6.443 2.298 1.00 15.00 H new ATOM 0 HA PHE A 308 0.570 -3.957 3.787 1.00 15.00 H new ATOM 0 HB2 PHE A 308 0.140 -6.846 4.448 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.063 -5.895 5.594 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.331 -3.258 5.349 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.879 -7.216 5.583 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.392 -2.391 6.361 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.948 -6.348 6.576 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.210 -3.935 6.969 1.00 15.00 H new ATOM 463 N THR A 309 2.967 -5.747 2.684 1.00 15.00 N ATOM 464 CA THR A 309 4.408 -5.890 2.580 1.00 15.00 C ATOM 465 C THR A 309 5.046 -4.637 1.983 1.00 15.00 C ATOM 466 O THR A 309 4.925 -4.374 0.784 1.00 15.00 O ATOM 467 CB THR A 309 4.779 -7.120 1.728 1.00 15.00 C ATOM 468 OG1 THR A 309 4.153 -8.293 2.269 1.00 15.00 O ATOM 469 CG2 THR A 309 6.287 -7.320 1.682 1.00 15.00 C ATOM 0 H THR A 309 2.444 -6.204 1.937 1.00 15.00 H new ATOM 0 HA THR A 309 4.795 -6.030 3.589 1.00 15.00 H new ATOM 0 HB THR A 309 4.424 -6.950 0.712 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.390 -9.072 1.723 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.520 -8.194 1.074 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.758 -6.439 1.246 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.665 -7.470 2.693 1.00 15.00 H new ATOM 477 N ASP A 310 5.714 -3.866 2.830 1.00 15.00 N ATOM 478 CA ASP A 310 6.409 -2.662 2.392 1.00 15.00 C ATOM 479 C ASP A 310 7.909 -2.911 2.299 1.00 15.00 C ATOM 480 O ASP A 310 8.542 -3.332 3.270 1.00 15.00 O ATOM 481 CB ASP A 310 6.126 -1.502 3.348 1.00 15.00 C ATOM 482 CG ASP A 310 7.057 -0.321 3.135 1.00 15.00 C ATOM 483 OD1 ASP A 310 7.247 0.096 1.975 1.00 15.00 O ATOM 484 OD2 ASP A 310 7.607 0.187 4.131 1.00 15.00 O1- ATOM 0 H ASP A 310 5.790 -4.054 3.830 1.00 15.00 H new ATOM 0 HA ASP A 310 6.039 -2.397 1.401 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.095 -1.174 3.218 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.221 -1.853 4.376 1.00 15.00 H new ATOM 489 N PRO A 311 8.499 -2.653 1.123 1.00 15.00 N ATOM 490 CA PRO A 311 9.934 -2.842 0.893 1.00 15.00 C ATOM 491 C PRO A 311 10.799 -1.894 1.723 1.00 15.00 C ATOM 492 O PRO A 311 12.007 -2.098 1.852 1.00 15.00 O ATOM 493 CB PRO A 311 10.104 -2.550 -0.601 1.00 15.00 C ATOM 494 CG PRO A 311 8.939 -1.692 -0.957 1.00 15.00 C ATOM 495 CD PRO A 311 7.810 -2.157 -0.085 1.00 15.00 C ATOM 0 HA PRO A 311 10.255 -3.842 1.186 1.00 15.00 H new ATOM 0 HB2 PRO A 311 11.046 -2.039 -0.799 1.00 15.00 H new ATOM 0 HB3 PRO A 311 10.111 -3.470 -1.185 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.160 -0.639 -0.782 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.686 -1.794 -2.012 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.121 -1.345 0.149 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.226 -2.942 -0.566 1.00 15.00 H new ATOM 628 N PRO B 207 -6.969 -9.059 6.271 1.00 15.00 N ATOM 629 CA PRO B 207 -7.176 -8.585 4.897 1.00 15.00 C ATOM 630 C PRO B 207 -6.894 -7.088 4.727 1.00 15.00 C ATOM 631 O PRO B 207 -7.513 -6.247 5.388 1.00 15.00 O ATOM 632 CB PRO B 207 -8.660 -8.882 4.622 1.00 15.00 C ATOM 633 CG PRO B 207 -9.245 -9.286 5.937 1.00 15.00 C ATOM 634 CD PRO B 207 -8.112 -9.850 6.740 1.00 15.00 C ATOM 0 HA PRO B 207 -6.492 -9.078 4.206 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.167 -8.004 4.222 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.770 -9.677 3.884 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.694 -8.431 6.443 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.033 -10.026 5.802 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.275 -9.732 7.811 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.973 -10.915 6.554 1.00 15.00 H new ATOM 642 N PRO B 208 -5.924 -6.755 3.853 1.00 15.00 N ATOM 643 CA PRO B 208 -5.572 -5.368 3.508 1.00 15.00 C ATOM 644 C PRO B 208 -6.767 -4.553 3.002 1.00 15.00 C ATOM 645 O PRO B 208 -7.765 -5.113 2.534 1.00 15.00 O ATOM 646 CB PRO B 208 -4.535 -5.536 2.394 1.00 15.00 C ATOM 647 CG PRO B 208 -3.936 -6.876 2.628 1.00 15.00 C ATOM 648 CD PRO B 208 -5.049 -7.727 3.168 1.00 15.00 C ATOM 0 HA PRO B 208 -5.211 -4.819 4.378 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.000 -5.477 1.410 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.779 -4.752 2.437 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.536 -7.294 1.704 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.109 -6.817 3.335 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.577 -8.250 2.371 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.677 -8.486 3.856 1.00 15.00 H new ATOM 656 N PRO B 209 -6.658 -3.214 3.060 1.00 15.00 N ATOM 657 CA PRO B 209 -7.737 -2.293 2.681 1.00 15.00 C ATOM 658 C PRO B 209 -7.977 -2.292 1.173 1.00 15.00 C ATOM 659 O PRO B 209 -7.043 -2.110 0.397 1.00 15.00 O ATOM 660 CB PRO B 209 -7.213 -0.917 3.140 1.00 15.00 C ATOM 661 CG PRO B 209 -6.044 -1.211 4.006 1.00 15.00 C ATOM 662 CD PRO B 209 -5.460 -2.478 3.470 1.00 15.00 C ATOM 0 HA PRO B 209 -8.691 -2.569 3.130 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.926 -0.301 2.288 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.979 -0.367 3.687 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.317 -0.399 3.974 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.346 -1.327 5.047 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.787 -2.295 2.633 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.889 -3.016 4.226 1.00 15.00 H new ATOM 670 N PRO B 210 -9.235 -2.505 0.745 1.00 15.00 N ATOM 671 CA PRO B 210 -9.607 -2.536 -0.679 1.00 15.00 C ATOM 672 C PRO B 210 -9.060 -1.335 -1.453 1.00 15.00 C ATOM 673 O PRO B 210 -9.145 -0.195 -0.989 1.00 15.00 O ATOM 674 CB PRO B 210 -11.134 -2.495 -0.632 1.00 15.00 C ATOM 675 CG PRO B 210 -11.481 -3.140 0.662 1.00 15.00 C ATOM 676 CD PRO B 210 -10.400 -2.731 1.622 1.00 15.00 C ATOM 0 HA PRO B 210 -9.200 -3.407 -1.193 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.506 -1.471 -0.678 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.572 -3.031 -1.474 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.460 -2.813 1.012 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.524 -4.224 0.560 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.670 -1.830 2.172 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.203 -3.508 2.361 1.00 15.00 H new ATOM 684 N TYR B 211 -8.511 -1.601 -2.636 1.00 15.00 N ATOM 685 CA TYR B 211 -7.884 -0.561 -3.443 1.00 15.00 C ATOM 686 C TYR B 211 -8.896 0.492 -3.895 1.00 15.00 C ATOM 687 O TYR B 211 -9.698 0.264 -4.804 1.00 15.00 O ATOM 688 CB TYR B 211 -7.145 -1.167 -4.657 1.00 15.00 C ATOM 689 CG TYR B 211 -6.696 -0.139 -5.686 1.00 15.00 C ATOM 690 CD1 TYR B 211 -6.055 1.027 -5.287 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.922 -0.321 -7.054 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.663 1.978 -6.205 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.520 0.635 -7.971 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.902 1.771 -7.540 1.00 15.00 C ATOM 695 OH TYR B 211 -5.525 2.704 -8.459 1.00 15.00 O ATOM 0 H TYR B 211 -8.488 -2.530 -3.056 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.149 -0.062 -2.811 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.272 -1.715 -4.301 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.799 -1.891 -5.143 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.860 1.192 -4.238 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.416 -1.217 -7.399 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.171 2.881 -5.875 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.696 0.481 -9.025 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.768 3.219 -8.110 1.00 15.00 H new ATOM 705 N SER B 212 -8.876 1.620 -3.207 1.00 15.00 N ATOM 706 CA SER B 212 -9.586 2.805 -3.643 1.00 15.00 C ATOM 707 C SER B 212 -8.656 3.583 -4.561 1.00 15.00 C ATOM 708 O SER B 212 -7.443 3.551 -4.364 1.00 15.00 O ATOM 709 CB SER B 212 -9.996 3.656 -2.435 1.00 15.00 C ATOM 710 OG SER B 212 -10.854 4.720 -2.821 1.00 15.00 O ATOM 0 H SER B 212 -8.367 1.738 -2.331 1.00 15.00 H new ATOM 0 HA SER B 212 -10.499 2.533 -4.174 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.499 3.029 -1.699 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.106 4.060 -1.953 1.00 15.00 H new ATOM 0 HG SER B 212 -11.101 5.245 -2.031 1.00 15.00 H new ATOM 716 N ARG B 213 -9.210 4.310 -5.523 1.00 15.00 N ATOM 717 CA ARG B 213 -8.400 4.930 -6.567 1.00 15.00 C ATOM 718 C ARG B 213 -7.384 5.884 -5.962 1.00 15.00 C ATOM 719 O ARG B 213 -6.178 5.716 -6.149 1.00 15.00 O ATOM 720 CB ARG B 213 -9.292 5.686 -7.555 1.00 15.00 C ATOM 721 CG ARG B 213 -10.194 4.783 -8.372 1.00 15.00 C ATOM 722 CD ARG B 213 -9.390 3.941 -9.348 1.00 15.00 C ATOM 723 NE ARG B 213 -10.235 2.987 -10.065 1.00 15.00 N ATOM 724 CZ ARG B 213 -10.241 2.842 -11.390 1.00 15.00 C ATOM 725 NH1 ARG B 213 -9.466 3.600 -12.155 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -11.031 1.938 -11.955 1.00 15.00 N ATOM 0 H ARG B 213 -10.212 4.485 -5.603 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.868 4.140 -7.098 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.907 6.398 -7.005 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.662 6.264 -8.231 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.760 4.132 -7.706 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.918 5.387 -8.919 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.889 4.593 -10.064 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.611 3.403 -8.808 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.859 2.395 -9.517 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.859 4.301 -11.730 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.477 3.482 -13.168 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.634 1.354 -11.375 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.036 1.827 -12.969 1.00 15.00 H new ATOM 740 N TYR B 214 -7.861 6.881 -5.250 1.00 15.00 N ATOM 741 CA TYR B 214 -6.983 7.791 -4.542 1.00 15.00 C ATOM 742 C TYR B 214 -7.297 7.727 -3.053 1.00 15.00 C ATOM 743 O TYR B 214 -8.271 8.322 -2.589 1.00 15.00 O ATOM 744 CB TYR B 214 -7.105 9.223 -5.088 1.00 15.00 C ATOM 745 CG TYR B 214 -6.490 9.408 -6.466 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.743 8.504 -7.489 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.651 10.480 -6.741 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.184 8.652 -8.739 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.086 10.642 -7.995 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.356 9.723 -8.991 1.00 15.00 C ATOM 751 OH TYR B 214 -4.796 9.875 -10.240 1.00 15.00 O ATOM 0 H TYR B 214 -8.855 7.084 -5.145 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.948 7.487 -4.698 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.159 9.497 -5.131 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.625 9.910 -4.391 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.394 7.664 -7.300 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.436 11.199 -5.964 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.394 7.933 -9.517 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.438 11.483 -8.194 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.239 10.681 -10.253 1.00 15.00 H new ATOM 761 N PRO B 215 -6.506 6.949 -2.299 1.00 15.00 N ATOM 762 CA PRO B 215 -6.762 6.689 -0.880 1.00 15.00 C ATOM 763 C PRO B 215 -6.445 7.897 -0.004 1.00 15.00 C ATOM 764 O PRO B 215 -5.334 8.432 -0.030 1.00 15.00 O ATOM 765 CB PRO B 215 -5.826 5.517 -0.567 1.00 15.00 C ATOM 766 CG PRO B 215 -4.687 5.702 -1.508 1.00 15.00 C ATOM 767 CD PRO B 215 -5.286 6.263 -2.771 1.00 15.00 C ATOM 0 HA PRO B 215 -7.811 6.473 -0.679 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.493 5.538 0.471 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.321 4.559 -0.723 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.943 6.382 -1.093 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.182 4.756 -1.701 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.604 6.953 -3.267 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.520 5.476 -3.488 1.00 15.00 H new