USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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= -1.13 K(o=-2.4,f=-6.7!) USER MOD Set 1.2: B 211 TYR OH : rot 35:sc= -1.3 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -59:sc= -0.072 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= 0.732 K(o=0.73,f=-0.19) USER MOD Single : A 303 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0074) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -155:sc= 0.817 USER MOD Single : A 307 GLN : amide:sc= 1.15 K(o=1.1,f=-0.028) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-1.8) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0042 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 15.254 4.574 -0.088 1.00 15.00 N ATOM 2 CA GLY A 280 15.660 5.664 -1.005 1.00 15.00 C ATOM 3 C GLY A 280 14.482 6.223 -1.775 1.00 15.00 C ATOM 4 O GLY A 280 13.517 6.701 -1.172 1.00 15.00 O ATOM 0 HA2 GLY A 280 16.132 6.463 -0.433 1.00 15.00 H new ATOM 0 HA3 GLY A 280 16.407 5.290 -1.705 1.00 15.00 H new ATOM 10 N PRO A 281 14.535 6.178 -3.116 1.00 15.00 N ATOM 11 CA PRO A 281 13.441 6.637 -3.977 1.00 15.00 C ATOM 12 C PRO A 281 12.249 5.683 -3.944 1.00 15.00 C ATOM 13 O PRO A 281 12.370 4.533 -3.512 1.00 15.00 O ATOM 14 CB PRO A 281 14.061 6.662 -5.386 1.00 15.00 C ATOM 15 CG PRO A 281 15.527 6.465 -5.185 1.00 15.00 C ATOM 16 CD PRO A 281 15.669 5.688 -3.911 1.00 15.00 C ATOM 0 HA PRO A 281 13.054 7.604 -3.656 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.642 5.874 -6.012 1.00 15.00 H new ATOM 0 HB3 PRO A 281 13.858 7.609 -5.886 1.00 15.00 H new ATOM 0 HG2 PRO A 281 15.966 5.924 -6.023 1.00 15.00 H new ATOM 0 HG3 PRO A 281 16.044 7.422 -5.118 1.00 15.00 H new ATOM 0 HD2 PRO A 281 15.611 4.613 -4.082 1.00 15.00 H new ATOM 0 HD3 PRO A 281 16.623 5.882 -3.421 1.00 15.00 H new ATOM 24 N LEU A 282 11.110 6.161 -4.415 1.00 15.00 N ATOM 25 CA LEU A 282 9.897 5.363 -4.452 1.00 15.00 C ATOM 26 C LEU A 282 9.169 5.590 -5.777 1.00 15.00 C ATOM 27 O LEU A 282 8.874 6.733 -6.137 1.00 15.00 O ATOM 28 CB LEU A 282 8.984 5.733 -3.277 1.00 15.00 C ATOM 29 CG LEU A 282 7.724 4.876 -3.127 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.085 3.435 -2.795 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.817 5.456 -2.056 1.00 15.00 C ATOM 0 H LEU A 282 11.000 7.107 -4.780 1.00 15.00 H new ATOM 0 HA LEU A 282 10.162 4.309 -4.368 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.561 5.664 -2.355 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.683 6.775 -3.387 1.00 15.00 H new ATOM 0 HG LEU A 282 7.191 4.882 -4.078 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.174 2.846 -2.693 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.698 3.020 -3.595 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.642 3.406 -1.859 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.925 4.837 -1.960 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.347 5.479 -1.104 1.00 15.00 H new ATOM 0 HD23 LEU A 282 6.527 6.469 -2.334 1.00 15.00 H new ATOM 43 N PRO A 283 8.887 4.508 -6.528 1.00 15.00 N ATOM 44 CA PRO A 283 8.162 4.588 -7.803 1.00 15.00 C ATOM 45 C PRO A 283 6.838 5.342 -7.666 1.00 15.00 C ATOM 46 O PRO A 283 6.086 5.123 -6.714 1.00 15.00 O ATOM 47 CB PRO A 283 7.909 3.120 -8.182 1.00 15.00 C ATOM 48 CG PRO A 283 8.252 2.320 -6.969 1.00 15.00 C ATOM 49 CD PRO A 283 9.256 3.125 -6.200 1.00 15.00 C ATOM 0 HA PRO A 283 8.730 5.135 -8.556 1.00 15.00 H new ATOM 0 HB2 PRO A 283 6.870 2.965 -8.471 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.524 2.824 -9.032 1.00 15.00 H new ATOM 0 HG2 PRO A 283 7.364 2.129 -6.366 1.00 15.00 H new ATOM 0 HG3 PRO A 283 8.663 1.350 -7.247 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.193 2.933 -5.129 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.277 2.896 -6.505 1.00 15.00 H new ATOM 57 N PRO A 284 6.533 6.229 -8.630 1.00 15.00 N ATOM 58 CA PRO A 284 5.351 7.105 -8.577 1.00 15.00 C ATOM 59 C PRO A 284 4.030 6.344 -8.664 1.00 15.00 C ATOM 60 O PRO A 284 2.966 6.889 -8.361 1.00 15.00 O ATOM 61 CB PRO A 284 5.522 8.011 -9.798 1.00 15.00 C ATOM 62 CG PRO A 284 6.378 7.229 -10.731 1.00 15.00 C ATOM 63 CD PRO A 284 7.319 6.448 -9.860 1.00 15.00 C ATOM 0 HA PRO A 284 5.298 7.639 -7.628 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.560 8.252 -10.251 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.992 8.956 -9.527 1.00 15.00 H new ATOM 0 HG2 PRO A 284 5.776 6.565 -11.351 1.00 15.00 H new ATOM 0 HG3 PRO A 284 6.925 7.887 -11.406 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.611 5.506 -10.325 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.236 7.002 -9.659 1.00 15.00 H new ATOM 71 N GLY A 285 4.099 5.093 -9.102 1.00 15.00 N ATOM 72 CA GLY A 285 2.911 4.267 -9.173 1.00 15.00 C ATOM 73 C GLY A 285 2.521 3.734 -7.813 1.00 15.00 C ATOM 74 O GLY A 285 1.400 3.258 -7.612 1.00 15.00 O ATOM 0 H GLY A 285 4.958 4.636 -9.409 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.087 4.849 -9.586 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.086 3.434 -9.854 1.00 15.00 H new ATOM 78 N TRP A 286 3.455 3.831 -6.876 1.00 15.00 N ATOM 79 CA TRP A 286 3.258 3.326 -5.532 1.00 15.00 C ATOM 80 C TRP A 286 2.659 4.390 -4.628 1.00 15.00 C ATOM 81 O TRP A 286 3.328 5.362 -4.264 1.00 15.00 O ATOM 82 CB TRP A 286 4.587 2.807 -4.967 1.00 15.00 C ATOM 83 CG TRP A 286 4.873 1.413 -5.421 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.027 0.986 -6.709 1.00 15.00 C ATOM 85 CD2 TRP A 286 4.993 0.254 -4.594 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.222 -0.371 -6.736 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.199 -0.846 -5.453 1.00 15.00 C ATOM 88 CE3 TRP A 286 4.940 0.029 -3.213 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.340 -2.145 -4.978 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.072 -1.263 -2.755 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.263 -2.337 -3.630 1.00 15.00 C ATOM 0 H TRP A 286 4.367 4.262 -7.030 1.00 15.00 H new ATOM 0 HA TRP A 286 2.550 2.498 -5.574 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.397 3.465 -5.280 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.556 2.836 -3.878 1.00 15.00 H new ATOM 0 HD1 TRP A 286 4.999 1.624 -7.580 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.361 -0.934 -7.575 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.799 0.849 -2.524 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.505 -2.972 -5.652 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.027 -1.452 -1.693 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.351 -3.337 -3.231 1.00 15.00 H new ATOM 102 N GLU A 287 1.385 4.229 -4.297 1.00 15.00 N ATOM 103 CA GLU A 287 0.734 5.128 -3.367 1.00 15.00 C ATOM 104 C GLU A 287 0.703 4.485 -1.986 1.00 15.00 C ATOM 105 O GLU A 287 0.050 3.460 -1.773 1.00 15.00 O ATOM 106 CB GLU A 287 -0.668 5.484 -3.866 1.00 15.00 C ATOM 107 CG GLU A 287 -1.512 6.269 -2.873 1.00 15.00 C ATOM 108 CD GLU A 287 -0.838 7.540 -2.397 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.280 8.274 -3.238 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.868 7.818 -1.183 1.00 15.00 O1- ATOM 0 H GLU A 287 0.788 3.486 -4.659 1.00 15.00 H new ATOM 0 HA GLU A 287 1.294 6.060 -3.296 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.576 6.065 -4.784 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.193 4.564 -4.122 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.466 6.522 -3.336 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.732 5.637 -2.013 1.00 15.00 H new ATOM 117 N VAL A 288 1.449 5.078 -1.067 1.00 15.00 N ATOM 118 CA VAL A 288 1.651 4.505 0.252 1.00 15.00 C ATOM 119 C VAL A 288 0.722 5.149 1.279 1.00 15.00 C ATOM 120 O VAL A 288 0.636 6.371 1.380 1.00 15.00 O ATOM 121 CB VAL A 288 3.129 4.648 0.694 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.569 6.105 0.687 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.348 4.027 2.062 1.00 15.00 C ATOM 0 H VAL A 288 1.929 5.966 -1.215 1.00 15.00 H new ATOM 0 HA VAL A 288 1.410 3.444 0.194 1.00 15.00 H new ATOM 0 HB VAL A 288 3.744 4.110 -0.027 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.610 6.172 1.002 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.467 6.511 -0.319 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.945 6.677 1.374 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.393 4.140 2.350 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.714 4.527 2.794 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.095 2.968 2.025 1.00 15.00 H new ATOM 133 N ARG A 289 0.015 4.318 2.026 1.00 15.00 N ATOM 134 CA ARG A 289 -0.917 4.799 3.033 1.00 15.00 C ATOM 135 C ARG A 289 -0.770 3.991 4.317 1.00 15.00 C ATOM 136 O ARG A 289 -0.408 2.818 4.279 1.00 15.00 O ATOM 137 CB ARG A 289 -2.347 4.734 2.488 1.00 15.00 C ATOM 138 CG ARG A 289 -2.657 5.853 1.511 1.00 15.00 C ATOM 139 CD ARG A 289 -2.478 7.218 2.157 1.00 15.00 C ATOM 140 NE ARG A 289 -2.080 8.239 1.188 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.150 9.551 1.409 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.687 10.014 2.534 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.691 10.400 0.495 1.00 15.00 N ATOM 0 H ARG A 289 0.069 3.302 1.954 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.691 5.839 3.270 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.499 3.774 1.994 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.050 4.779 3.320 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.004 5.771 0.642 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.681 5.751 1.151 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.411 7.517 2.635 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.725 7.151 2.942 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.726 7.926 0.284 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -3.048 9.364 3.232 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.738 11.019 2.699 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.287 10.046 -0.372 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.743 11.405 0.661 1.00 15.00 H new ATOM 157 N SER A 290 -1.043 4.621 5.449 1.00 15.00 N ATOM 158 CA SER A 290 -0.843 3.990 6.747 1.00 15.00 C ATOM 159 C SER A 290 -2.166 3.768 7.484 1.00 15.00 C ATOM 160 O SER A 290 -3.038 4.639 7.496 1.00 15.00 O ATOM 161 CB SER A 290 0.087 4.867 7.593 1.00 15.00 C ATOM 162 OG SER A 290 -0.341 6.222 7.584 1.00 15.00 O ATOM 0 H SER A 290 -1.405 5.573 5.496 1.00 15.00 H new ATOM 0 HA SER A 290 -0.393 3.010 6.585 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.109 4.496 8.618 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.105 4.801 7.208 1.00 15.00 H new ATOM 0 HG SER A 290 0.267 6.761 8.132 1.00 15.00 H new ATOM 168 N THR A 291 -2.305 2.601 8.099 1.00 15.00 N ATOM 169 CA THR A 291 -3.433 2.329 8.980 1.00 15.00 C ATOM 170 C THR A 291 -3.033 2.607 10.426 1.00 15.00 C ATOM 171 O THR A 291 -1.890 2.345 10.818 1.00 15.00 O ATOM 172 CB THR A 291 -3.931 0.869 8.858 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.827 -0.042 8.946 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.679 0.643 7.552 1.00 15.00 C ATOM 0 H THR A 291 -1.649 1.826 8.004 1.00 15.00 H new ATOM 0 HA THR A 291 -4.249 2.985 8.678 1.00 15.00 H new ATOM 0 HB THR A 291 -4.620 0.686 9.682 1.00 15.00 H new ATOM 0 HG1 THR A 291 -2.186 0.150 8.230 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.015 -0.393 7.499 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.542 1.307 7.508 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.016 0.853 6.712 1.00 15.00 H new ATOM 182 N VAL A 292 -3.974 3.120 11.215 1.00 15.00 N ATOM 183 CA VAL A 292 -3.707 3.506 12.602 1.00 15.00 C ATOM 184 C VAL A 292 -3.348 2.283 13.449 1.00 15.00 C ATOM 185 O VAL A 292 -2.782 2.402 14.537 1.00 15.00 O ATOM 186 CB VAL A 292 -4.924 4.231 13.224 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.556 4.884 14.549 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.487 5.264 12.257 1.00 15.00 C ATOM 0 H VAL A 292 -4.936 3.280 10.916 1.00 15.00 H new ATOM 0 HA VAL A 292 -2.860 4.192 12.592 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.694 3.484 13.419 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.431 5.386 14.963 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.211 4.121 15.247 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -3.762 5.613 14.387 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.342 5.762 12.714 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.719 6.002 12.025 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.804 4.769 11.339 1.00 15.00 H new ATOM 198 N SER A 293 -3.681 1.102 12.935 1.00 15.00 N ATOM 199 CA SER A 293 -3.279 -0.158 13.551 1.00 15.00 C ATOM 200 C SER A 293 -1.753 -0.281 13.617 1.00 15.00 C ATOM 201 O SER A 293 -1.219 -1.142 14.313 1.00 15.00 O ATOM 202 CB SER A 293 -3.859 -1.337 12.766 1.00 15.00 C ATOM 203 OG SER A 293 -5.267 -1.219 12.640 1.00 15.00 O ATOM 0 H SER A 293 -4.234 0.992 12.085 1.00 15.00 H new ATOM 0 HA SER A 293 -3.669 -0.173 14.569 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.404 -1.379 11.776 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.612 -2.271 13.270 1.00 15.00 H new ATOM 0 HG SER A 293 -5.615 -1.982 12.134 1.00 15.00 H new ATOM 209 N GLY A 294 -1.063 0.574 12.871 1.00 15.00 N ATOM 210 CA GLY A 294 0.380 0.511 12.811 1.00 15.00 C ATOM 211 C GLY A 294 0.853 -0.388 11.695 1.00 15.00 C ATOM 212 O GLY A 294 1.886 -1.049 11.806 1.00 15.00 O ATOM 0 H GLY A 294 -1.482 1.312 12.305 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.782 1.514 12.666 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.768 0.146 13.762 1.00 15.00 H new ATOM 216 N ARG A 295 0.090 -0.406 10.613 1.00 15.00 N ATOM 217 CA ARG A 295 0.450 -1.173 9.433 1.00 15.00 C ATOM 218 C ARG A 295 0.523 -0.265 8.221 1.00 15.00 C ATOM 219 O ARG A 295 -0.402 0.508 7.950 1.00 15.00 O ATOM 220 CB ARG A 295 -0.550 -2.306 9.171 1.00 15.00 C ATOM 221 CG ARG A 295 -0.388 -3.491 10.105 1.00 15.00 C ATOM 222 CD ARG A 295 -1.343 -4.625 9.759 1.00 15.00 C ATOM 223 NE ARG A 295 -2.728 -4.289 10.085 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.553 -5.105 10.740 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.140 -6.313 11.118 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -4.792 -4.714 11.017 1.00 15.00 N ATOM 0 H ARG A 295 -0.788 0.106 10.529 1.00 15.00 H new ATOM 0 HA ARG A 295 1.428 -1.619 9.614 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.563 -1.914 9.268 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.437 -2.648 8.142 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.639 -3.854 10.055 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.563 -3.170 11.132 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.265 -4.854 8.696 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.050 -5.524 10.301 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.083 -3.378 9.794 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.189 -6.616 10.906 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -3.774 -6.935 11.619 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.112 -3.789 10.728 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -5.424 -5.338 11.518 1.00 15.00 H new ATOM 240 N ILE A 296 1.613 -0.371 7.489 1.00 15.00 N ATOM 241 CA ILE A 296 1.767 0.374 6.261 1.00 15.00 C ATOM 242 C ILE A 296 1.205 -0.479 5.132 1.00 15.00 C ATOM 243 O ILE A 296 1.307 -1.707 5.176 1.00 15.00 O ATOM 244 CB ILE A 296 3.253 0.737 6.004 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.367 1.820 4.929 1.00 15.00 C ATOM 246 CG2 ILE A 296 4.065 -0.491 5.617 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.807 3.156 5.368 1.00 15.00 C ATOM 0 H ILE A 296 2.406 -0.968 7.726 1.00 15.00 H new ATOM 0 HA ILE A 296 1.226 1.318 6.325 1.00 15.00 H new ATOM 0 HB ILE A 296 3.665 1.129 6.934 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.415 1.944 4.657 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.842 1.490 4.033 1.00 15.00 H new ATOM 0 HG21 ILE A 296 5.102 -0.202 5.444 1.00 15.00 H new ATOM 0 HG22 ILE A 296 4.022 -1.224 6.423 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.653 -0.928 4.707 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.918 3.880 4.561 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.751 3.045 5.613 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.348 3.506 6.247 1.00 15.00 H new ATOM 259 N TYR A 297 0.584 0.139 4.150 1.00 15.00 N ATOM 260 CA TYR A 297 -0.161 -0.623 3.174 1.00 15.00 C ATOM 261 C TYR A 297 -0.154 0.086 1.849 1.00 15.00 C ATOM 262 O TYR A 297 -0.161 1.320 1.774 1.00 15.00 O ATOM 263 CB TYR A 297 -1.598 -0.924 3.648 1.00 15.00 C ATOM 264 CG TYR A 297 -2.582 0.226 3.568 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.327 0.451 2.412 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.796 1.062 4.655 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.244 1.481 2.343 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.717 2.090 4.593 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.437 2.296 3.438 1.00 15.00 C ATOM 270 OH TYR A 297 -5.355 3.319 3.380 1.00 15.00 O ATOM 0 H TYR A 297 0.580 1.149 4.008 1.00 15.00 H new ATOM 0 HA TYR A 297 0.332 -1.587 3.053 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -1.988 -1.751 3.055 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.553 -1.266 4.682 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.185 -0.191 1.555 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.234 0.906 5.564 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.807 1.647 1.436 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.872 2.730 5.449 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.368 3.796 4.236 1.00 15.00 H new ATOM 280 N PHE A 298 -0.139 -0.699 0.809 1.00 15.00 N ATOM 281 CA PHE A 298 -0.020 -0.183 -0.511 1.00 15.00 C ATOM 282 C PHE A 298 -1.229 -0.355 -1.362 1.00 15.00 C ATOM 283 O PHE A 298 -1.970 -1.328 -1.260 1.00 15.00 O ATOM 284 CB PHE A 298 1.144 -0.825 -1.196 1.00 15.00 C ATOM 285 CG PHE A 298 2.356 -0.043 -0.970 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.460 1.195 -1.562 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.383 -0.524 -0.190 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.574 1.950 -1.385 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.513 0.226 -0.017 1.00 15.00 C ATOM 290 CZ PHE A 298 4.601 1.463 -0.622 1.00 15.00 C ATOM 0 H PHE A 298 -0.209 -1.715 0.860 1.00 15.00 H new ATOM 0 HA PHE A 298 0.119 0.891 -0.391 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.282 -1.839 -0.821 1.00 15.00 H new ATOM 0 HB3 PHE A 298 0.948 -0.904 -2.265 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.650 1.568 -2.171 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.297 -1.491 0.284 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.649 2.926 -1.842 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.328 -0.146 0.587 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.494 2.056 -0.492 1.00 15.00 H new ATOM 300 N VAL A 299 -1.349 0.597 -2.249 1.00 15.00 N ATOM 301 CA VAL A 299 -2.312 0.561 -3.312 1.00 15.00 C ATOM 302 C VAL A 299 -1.608 1.053 -4.582 1.00 15.00 C ATOM 303 O VAL A 299 -1.331 2.246 -4.765 1.00 15.00 O ATOM 304 CB VAL A 299 -3.607 1.364 -2.981 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.293 0.795 -1.742 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.341 2.847 -2.782 1.00 15.00 C ATOM 0 H VAL A 299 -0.767 1.435 -2.251 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.667 -0.459 -3.460 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.264 1.260 -3.844 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.194 1.370 -1.529 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.561 -0.246 -1.920 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.615 0.855 -0.891 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.277 3.357 -2.554 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.643 2.984 -1.956 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.912 3.265 -3.693 1.00 15.00 H new ATOM 316 N ASP A 300 -1.211 0.096 -5.404 1.00 15.00 N ATOM 317 CA ASP A 300 -0.442 0.382 -6.608 1.00 15.00 C ATOM 318 C ASP A 300 -1.357 0.487 -7.817 1.00 15.00 C ATOM 319 O ASP A 300 -2.225 -0.368 -8.020 1.00 15.00 O ATOM 320 CB ASP A 300 0.629 -0.697 -6.826 1.00 15.00 C ATOM 321 CG ASP A 300 1.006 -0.867 -8.288 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.541 0.084 -8.889 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.753 -1.954 -8.850 1.00 15.00 O ATOM 0 H ASP A 300 -1.410 -0.894 -5.259 1.00 15.00 H new ATOM 0 HA ASP A 300 0.058 1.342 -6.480 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.520 -0.439 -6.254 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.265 -1.648 -6.437 1.00 15.00 H new ATOM 328 N HIS A 301 -1.130 1.530 -8.622 1.00 15.00 N ATOM 329 CA HIS A 301 -1.973 1.837 -9.781 1.00 15.00 C ATOM 330 C HIS A 301 -1.706 0.909 -10.960 1.00 15.00 C ATOM 331 O HIS A 301 -2.549 0.765 -11.843 1.00 15.00 O ATOM 332 CB HIS A 301 -1.754 3.281 -10.251 1.00 15.00 C ATOM 333 CG HIS A 301 -2.448 4.323 -9.430 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.814 4.507 -9.455 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.960 5.260 -8.580 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.134 5.518 -8.664 1.00 15.00 C ATOM 337 NE2 HIS A 301 -3.029 5.986 -8.121 1.00 15.00 N ATOM 0 H HIS A 301 -0.358 2.184 -8.489 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.001 1.696 -9.448 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.684 3.490 -10.248 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.093 3.367 -11.283 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.474 3.951 -9.998 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.924 5.407 -8.314 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.131 5.895 -8.493 1.00 15.00 H new ATOM 346 N ASN A 302 -0.526 0.307 -10.988 1.00 15.00 N ATOM 347 CA ASN A 302 -0.113 -0.496 -12.135 1.00 15.00 C ATOM 348 C ASN A 302 -0.831 -1.833 -12.144 1.00 15.00 C ATOM 349 O ASN A 302 -1.457 -2.209 -13.133 1.00 15.00 O ATOM 350 CB ASN A 302 1.402 -0.724 -12.129 1.00 15.00 C ATOM 351 CG ASN A 302 2.189 0.565 -12.250 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.488 1.024 -13.355 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.533 1.159 -11.118 1.00 15.00 N ATOM 0 H ASN A 302 0.161 0.357 -10.235 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.381 0.056 -13.036 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.685 -1.232 -11.207 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.669 -1.386 -12.953 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.065 2.029 -11.140 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.266 0.747 -10.224 1.00 15.00 H new ATOM 360 N ASN A 303 -0.722 -2.552 -11.045 1.00 15.00 N ATOM 361 CA ASN A 303 -1.360 -3.854 -10.920 1.00 15.00 C ATOM 362 C ASN A 303 -2.731 -3.719 -10.275 1.00 15.00 C ATOM 363 O ASN A 303 -3.538 -4.651 -10.314 1.00 15.00 O ATOM 364 CB ASN A 303 -0.488 -4.804 -10.094 1.00 15.00 C ATOM 365 CG ASN A 303 0.903 -4.963 -10.671 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.153 -5.849 -11.489 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.816 -4.097 -10.256 1.00 15.00 N ATOM 0 H ASN A 303 -0.197 -2.259 -10.221 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.482 -4.268 -11.921 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.414 -4.429 -9.073 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.970 -5.780 -10.041 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.769 -4.149 -10.616 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.566 -3.378 -9.577 1.00 15.00 H new ATOM 374 N ARG A 304 -2.976 -2.552 -9.676 1.00 15.00 N ATOM 375 CA ARG A 304 -4.174 -2.308 -8.880 1.00 15.00 C ATOM 376 C ARG A 304 -4.260 -3.346 -7.777 1.00 15.00 C ATOM 377 O ARG A 304 -5.231 -4.098 -7.663 1.00 15.00 O ATOM 378 CB ARG A 304 -5.438 -2.288 -9.753 1.00 15.00 C ATOM 379 CG ARG A 304 -5.338 -1.306 -10.913 1.00 15.00 C ATOM 380 CD ARG A 304 -6.609 -1.258 -11.744 1.00 15.00 C ATOM 381 NE ARG A 304 -6.548 -0.197 -12.750 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.368 -0.104 -13.798 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.299 -1.022 -14.015 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.258 0.910 -14.640 1.00 15.00 N ATOM 0 H ARG A 304 -2.347 -1.751 -9.731 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.105 -1.320 -8.424 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.619 -3.289 -10.145 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.297 -2.027 -9.135 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.123 -0.310 -10.525 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.500 -1.587 -11.552 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.761 -2.219 -12.235 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.467 -1.094 -11.091 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.830 0.520 -12.643 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.395 -1.812 -13.377 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -8.919 -0.939 -14.820 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.545 1.623 -14.489 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.886 0.979 -15.441 1.00 15.00 H new ATOM 398 N THR A 305 -3.203 -3.391 -6.982 1.00 15.00 N ATOM 399 CA THR A 305 -3.056 -4.414 -5.958 1.00 15.00 C ATOM 400 C THR A 305 -2.709 -3.803 -4.604 1.00 15.00 C ATOM 401 O THR A 305 -1.909 -2.868 -4.523 1.00 15.00 O ATOM 402 CB THR A 305 -1.969 -5.436 -6.357 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.238 -5.951 -7.669 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.904 -6.590 -5.365 1.00 15.00 C ATOM 0 H THR A 305 -2.430 -2.727 -7.027 1.00 15.00 H new ATOM 0 HA THR A 305 -4.015 -4.925 -5.872 1.00 15.00 H new ATOM 0 HB THR A 305 -1.008 -4.921 -6.352 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.544 -6.597 -7.916 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.129 -7.292 -5.674 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.670 -6.204 -4.373 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.867 -7.101 -5.337 1.00 15.00 H new ATOM 412 N THR A 306 -3.327 -4.327 -3.554 1.00 15.00 N ATOM 413 CA THR A 306 -3.019 -3.921 -2.194 1.00 15.00 C ATOM 414 C THR A 306 -1.947 -4.832 -1.586 1.00 15.00 C ATOM 415 O THR A 306 -1.988 -6.051 -1.751 1.00 15.00 O ATOM 416 CB THR A 306 -4.278 -3.954 -1.304 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.322 -3.173 -1.904 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.974 -3.416 0.088 1.00 15.00 C ATOM 0 H THR A 306 -4.052 -5.041 -3.623 1.00 15.00 H new ATOM 0 HA THR A 306 -2.643 -2.899 -2.237 1.00 15.00 H new ATOM 0 HB THR A 306 -4.603 -4.990 -1.212 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.937 -2.860 -1.208 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.878 -3.450 0.696 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.200 -4.027 0.553 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.626 -2.386 0.012 1.00 15.00 H new ATOM 426 N GLN A 307 -0.985 -4.232 -0.897 1.00 15.00 N ATOM 427 CA GLN A 307 0.094 -4.975 -0.247 1.00 15.00 C ATOM 428 C GLN A 307 0.209 -4.545 1.213 1.00 15.00 C ATOM 429 O GLN A 307 0.021 -3.381 1.526 1.00 15.00 O ATOM 430 CB GLN A 307 1.421 -4.714 -0.971 1.00 15.00 C ATOM 431 CG GLN A 307 1.450 -5.209 -2.411 1.00 15.00 C ATOM 432 CD GLN A 307 1.478 -6.722 -2.514 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.546 -7.333 -2.550 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.308 -7.340 -2.555 1.00 15.00 N ATOM 0 H GLN A 307 -0.928 -3.221 -0.772 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.131 -6.041 -0.292 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.623 -3.643 -0.962 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.226 -5.195 -0.416 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.574 -4.830 -2.938 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.326 -4.799 -2.913 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -0.556 -6.799 -2.523 1.00 15.00 H new ATOM 0 HE22 GLN A 307 0.271 -8.357 -2.619 1.00 15.00 H new ATOM 443 N PHE A 308 0.524 -5.472 2.106 1.00 15.00 N ATOM 444 CA PHE A 308 0.664 -5.133 3.523 1.00 15.00 C ATOM 445 C PHE A 308 2.130 -5.010 3.927 1.00 15.00 C ATOM 446 O PHE A 308 2.445 -4.589 5.038 1.00 15.00 O ATOM 447 CB PHE A 308 -0.040 -6.160 4.411 1.00 15.00 C ATOM 448 CG PHE A 308 -1.217 -5.594 5.164 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.297 -4.238 5.444 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.236 -6.420 5.602 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.371 -3.722 6.145 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.314 -5.912 6.296 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.383 -4.562 6.569 1.00 15.00 C ATOM 0 H PHE A 308 0.687 -6.454 1.883 1.00 15.00 H new ATOM 0 HA PHE A 308 0.187 -4.164 3.668 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.379 -6.992 3.793 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.678 -6.565 5.125 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.511 -3.577 5.110 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.187 -7.479 5.397 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.419 -2.665 6.361 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.104 -6.571 6.625 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.226 -4.162 7.113 1.00 15.00 H new ATOM 463 N THR A 309 3.025 -5.410 3.039 1.00 15.00 N ATOM 464 CA THR A 309 4.447 -5.375 3.338 1.00 15.00 C ATOM 465 C THR A 309 5.170 -4.354 2.462 1.00 15.00 C ATOM 466 O THR A 309 5.081 -4.401 1.234 1.00 15.00 O ATOM 467 CB THR A 309 5.077 -6.767 3.149 1.00 15.00 C ATOM 468 OG1 THR A 309 4.318 -7.736 3.888 1.00 15.00 O ATOM 469 CG2 THR A 309 6.526 -6.783 3.625 1.00 15.00 C ATOM 0 H THR A 309 2.794 -5.761 2.110 1.00 15.00 H new ATOM 0 HA THR A 309 4.558 -5.075 4.380 1.00 15.00 H new ATOM 0 HB THR A 309 5.063 -7.012 2.087 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.716 -8.624 3.768 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.946 -7.778 3.480 1.00 15.00 H new ATOM 0 HG22 THR A 309 7.105 -6.058 3.053 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.564 -6.524 4.683 1.00 15.00 H new ATOM 477 N ASP A 310 5.863 -3.425 3.109 1.00 15.00 N ATOM 478 CA ASP A 310 6.639 -2.407 2.406 1.00 15.00 C ATOM 479 C ASP A 310 8.025 -2.950 2.062 1.00 15.00 C ATOM 480 O ASP A 310 8.750 -3.423 2.942 1.00 15.00 O ATOM 481 CB ASP A 310 6.765 -1.148 3.272 1.00 15.00 C ATOM 482 CG ASP A 310 7.395 0.021 2.534 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.624 0.016 2.334 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.664 0.958 2.165 1.00 15.00 O1- ATOM 0 H ASP A 310 5.904 -3.354 4.126 1.00 15.00 H new ATOM 0 HA ASP A 310 6.123 -2.147 1.482 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.776 -0.857 3.625 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.363 -1.379 4.153 1.00 15.00 H new ATOM 489 N PRO A 311 8.415 -2.879 0.781 1.00 15.00 N ATOM 490 CA PRO A 311 9.693 -3.423 0.301 1.00 15.00 C ATOM 491 C PRO A 311 10.905 -2.626 0.789 1.00 15.00 C ATOM 492 O PRO A 311 12.044 -3.080 0.689 1.00 15.00 O ATOM 493 CB PRO A 311 9.568 -3.322 -1.221 1.00 15.00 C ATOM 494 CG PRO A 311 8.621 -2.195 -1.444 1.00 15.00 C ATOM 495 CD PRO A 311 7.635 -2.261 -0.312 1.00 15.00 C ATOM 0 HA PRO A 311 9.862 -4.435 0.670 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.534 -3.126 -1.686 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.189 -4.249 -1.650 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.145 -1.239 -1.451 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.119 -2.291 -2.407 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.271 -1.271 -0.037 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.763 -2.860 -0.573 1.00 15.00 H new ATOM 503 N ARG A 312 10.647 -1.434 1.291 1.00 15.00 N ATOM 504 CA ARG A 312 11.693 -0.517 1.723 1.00 15.00 C ATOM 505 C ARG A 312 11.805 -0.513 3.252 1.00 15.00 C ATOM 506 O ARG A 312 12.753 0.033 3.828 1.00 15.00 O ATOM 507 CB ARG A 312 11.363 0.878 1.169 1.00 15.00 C ATOM 508 CG ARG A 312 11.707 2.045 2.079 1.00 15.00 C ATOM 509 CD ARG A 312 10.851 3.253 1.747 1.00 15.00 C ATOM 510 NE ARG A 312 9.421 2.940 1.825 1.00 15.00 N ATOM 511 CZ ARG A 312 8.452 3.853 1.789 1.00 15.00 C ATOM 512 NH1 ARG A 312 8.748 5.145 1.724 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.181 3.476 1.834 1.00 15.00 N ATOM 0 H ARG A 312 9.702 -1.069 1.413 1.00 15.00 H new ATOM 0 HA ARG A 312 12.663 -0.834 1.339 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.892 1.009 0.225 1.00 15.00 H new ATOM 0 HB3 ARG A 312 10.297 0.917 0.945 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.554 1.759 3.120 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.761 2.299 1.970 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.084 4.065 2.436 1.00 15.00 H new ATOM 0 HD3 ARG A 312 11.092 3.606 0.744 1.00 15.00 H new ATOM 0 HE ARG A 312 9.151 1.960 1.912 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.723 5.444 1.701 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.001 5.839 1.697 1.00 15.00 H new ATOM 0 HH21 ARG A 312 6.945 2.486 1.896 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.440 4.176 1.806 1.00 15.00 H new ATOM 527 N LEU A 313 10.831 -1.147 3.899 1.00 15.00 N ATOM 528 CA LEU A 313 10.724 -1.143 5.357 1.00 15.00 C ATOM 529 C LEU A 313 11.894 -1.875 6.024 1.00 15.00 C ATOM 530 O LEU A 313 12.093 -1.773 7.236 1.00 15.00 O ATOM 531 CB LEU A 313 9.391 -1.772 5.782 1.00 15.00 C ATOM 532 CG LEU A 313 9.039 -1.635 7.265 1.00 15.00 C ATOM 533 CD1 LEU A 313 8.889 -0.168 7.649 1.00 15.00 C ATOM 534 CD2 LEU A 313 7.763 -2.406 7.575 1.00 15.00 C ATOM 0 H LEU A 313 10.096 -1.676 3.431 1.00 15.00 H new ATOM 0 HA LEU A 313 10.762 -0.106 5.689 1.00 15.00 H new ATOM 0 HB2 LEU A 313 8.592 -1.320 5.194 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.413 -2.832 5.528 1.00 15.00 H new ATOM 0 HG LEU A 313 9.852 -2.057 7.856 1.00 15.00 H new ATOM 0 HD11 LEU A 313 8.639 -0.093 8.707 1.00 15.00 H new ATOM 0 HD12 LEU A 313 9.826 0.355 7.460 1.00 15.00 H new ATOM 0 HD13 LEU A 313 8.095 0.284 7.055 1.00 15.00 H new ATOM 0 HD21 LEU A 313 7.523 -2.301 8.633 1.00 15.00 H new ATOM 0 HD22 LEU A 313 6.944 -2.009 6.976 1.00 15.00 H new ATOM 0 HD23 LEU A 313 7.908 -3.460 7.339 1.00 15.00 H new ATOM 546 N HIS A 314 12.664 -2.614 5.238 1.00 15.00 N ATOM 547 CA HIS A 314 13.837 -3.296 5.767 1.00 15.00 C ATOM 548 C HIS A 314 15.109 -2.523 5.415 1.00 15.00 C ATOM 549 O HIS A 314 15.618 -2.665 4.289 1.00 15.00 O ATOM 550 CB HIS A 314 13.913 -4.766 5.299 1.00 15.00 C ATOM 551 CG HIS A 314 13.984 -4.977 3.813 1.00 15.00 C ATOM 552 ND1 HIS A 314 15.169 -5.152 3.136 1.00 15.00 N ATOM 553 CD2 HIS A 314 13.009 -5.071 2.881 1.00 15.00 C ATOM 554 CE1 HIS A 314 14.924 -5.342 1.858 1.00 15.00 C ATOM 555 NE2 HIS A 314 13.620 -5.298 1.671 1.00 15.00 N ATOM 556 OXT HIS A 314 15.583 -1.755 6.276 1.00 15.00 O ATOM 0 H HIS A 314 12.500 -2.756 4.241 1.00 15.00 H new ATOM 0 HA HIS A 314 13.746 -3.323 6.853 1.00 15.00 H new ATOM 0 HB2 HIS A 314 14.789 -5.228 5.755 1.00 15.00 H new ATOM 0 HB3 HIS A 314 13.039 -5.295 5.681 1.00 15.00 H new ATOM 0 HD2 HIS A 314 11.947 -4.984 3.055 1.00 15.00 H new ATOM 0 HE1 HIS A 314 15.666 -5.506 1.091 1.00 15.00 H new ATOM 0 HE2 HIS A 314 13.143 -5.413 0.777 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.452 -13.099 4.517 1.00 15.00 N ATOM 567 CA GLU B 203 1.647 -11.817 5.235 1.00 15.00 C ATOM 568 C GLU B 203 1.267 -11.940 6.711 1.00 15.00 C ATOM 569 O GLU B 203 1.750 -11.164 7.537 1.00 15.00 O ATOM 570 CB GLU B 203 0.844 -10.683 4.570 1.00 15.00 C ATOM 571 CG GLU B 203 -0.674 -10.830 4.656 1.00 15.00 C ATOM 572 CD GLU B 203 -1.184 -12.101 4.012 1.00 15.00 C ATOM 573 OE1 GLU B 203 -1.147 -13.156 4.684 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -1.579 -12.057 2.835 1.00 15.00 O ATOM 0 HA GLU B 203 2.707 -11.571 5.177 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.129 -9.738 5.031 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.129 -10.624 3.520 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.976 -10.814 5.703 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -1.144 -9.972 4.175 1.00 15.00 H new ATOM 583 N LEU B 204 0.373 -12.888 7.030 1.00 15.00 N ATOM 584 CA LEU B 204 0.001 -13.186 8.420 1.00 15.00 C ATOM 585 C LEU B 204 -0.785 -12.038 9.052 1.00 15.00 C ATOM 586 O LEU B 204 -0.948 -11.981 10.274 1.00 15.00 O ATOM 587 CB LEU B 204 1.253 -13.482 9.257 1.00 15.00 C ATOM 588 CG LEU B 204 2.002 -14.760 8.883 1.00 15.00 C ATOM 589 CD1 LEU B 204 3.318 -14.846 9.637 1.00 15.00 C ATOM 590 CD2 LEU B 204 1.146 -15.980 9.182 1.00 15.00 C ATOM 0 H LEU B 204 -0.108 -13.464 6.339 1.00 15.00 H new ATOM 0 HA LEU B 204 -0.641 -14.067 8.405 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.938 -12.639 9.166 1.00 15.00 H new ATOM 0 HB3 LEU B 204 0.962 -13.545 10.306 1.00 15.00 H new ATOM 0 HG LEU B 204 2.215 -14.734 7.814 1.00 15.00 H new ATOM 0 HD11 LEU B 204 3.838 -15.763 9.358 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.938 -13.986 9.385 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.123 -14.851 10.709 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.692 -16.883 8.911 1.00 15.00 H new ATOM 0 HD22 LEU B 204 0.908 -16.006 10.245 1.00 15.00 H new ATOM 0 HD23 LEU B 204 0.223 -15.927 8.605 1.00 15.00 H new ATOM 602 N GLU B 205 -1.302 -11.148 8.221 1.00 15.00 N ATOM 603 CA GLU B 205 -2.025 -9.987 8.709 1.00 15.00 C ATOM 604 C GLU B 205 -3.516 -10.098 8.429 1.00 15.00 C ATOM 605 O GLU B 205 -3.966 -11.018 7.742 1.00 15.00 O ATOM 606 CB GLU B 205 -1.473 -8.711 8.074 1.00 15.00 C ATOM 607 CG GLU B 205 -0.072 -8.363 8.537 1.00 15.00 C ATOM 608 CD GLU B 205 0.031 -8.300 10.044 1.00 15.00 C ATOM 609 OE1 GLU B 205 -0.746 -7.546 10.665 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.870 -9.024 10.616 1.00 15.00 O ATOM 0 H GLU B 205 -1.234 -11.208 7.205 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.885 -9.944 9.789 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.471 -8.825 6.990 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.140 -7.881 8.306 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.630 -9.106 8.157 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.221 -7.402 8.114 1.00 15.00 H new ATOM 617 N SER B 206 -4.266 -9.155 8.980 1.00 15.00 N ATOM 618 CA SER B 206 -5.694 -9.041 8.730 1.00 15.00 C ATOM 619 C SER B 206 -5.940 -8.707 7.256 1.00 15.00 C ATOM 620 O SER B 206 -4.999 -8.350 6.547 1.00 15.00 O ATOM 621 CB SER B 206 -6.256 -7.940 9.627 1.00 15.00 C ATOM 622 OG SER B 206 -5.773 -8.079 10.954 1.00 15.00 O ATOM 0 H SER B 206 -3.900 -8.446 9.615 1.00 15.00 H new ATOM 0 HA SER B 206 -6.191 -9.985 8.953 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.974 -6.964 9.233 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.345 -7.983 9.625 1.00 15.00 H new ATOM 0 HG SER B 206 -6.142 -7.364 11.513 1.00 15.00 H new ATOM 628 N PRO B 207 -7.190 -8.823 6.767 1.00 15.00 N ATOM 629 CA PRO B 207 -7.516 -8.500 5.373 1.00 15.00 C ATOM 630 C PRO B 207 -7.060 -7.095 4.977 1.00 15.00 C ATOM 631 O PRO B 207 -7.466 -6.103 5.586 1.00 15.00 O ATOM 632 CB PRO B 207 -9.044 -8.597 5.328 1.00 15.00 C ATOM 633 CG PRO B 207 -9.397 -9.525 6.437 1.00 15.00 C ATOM 634 CD PRO B 207 -8.376 -9.287 7.515 1.00 15.00 C ATOM 0 HA PRO B 207 -7.013 -9.170 4.676 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.507 -7.620 5.467 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.388 -8.979 4.367 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.405 -9.330 6.804 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.375 -10.562 6.101 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.716 -8.540 8.233 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.166 -10.197 8.077 1.00 15.00 H new ATOM 642 N PRO B 208 -6.176 -7.013 3.971 1.00 15.00 N ATOM 643 CA PRO B 208 -5.701 -5.742 3.411 1.00 15.00 C ATOM 644 C PRO B 208 -6.839 -4.827 2.953 1.00 15.00 C ATOM 645 O PRO B 208 -7.888 -5.296 2.496 1.00 15.00 O ATOM 646 CB PRO B 208 -4.860 -6.177 2.210 1.00 15.00 C ATOM 647 CG PRO B 208 -4.417 -7.561 2.531 1.00 15.00 C ATOM 648 CD PRO B 208 -5.521 -8.172 3.347 1.00 15.00 C ATOM 0 HA PRO B 208 -5.155 -5.159 4.153 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.444 -6.153 1.290 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.008 -5.514 2.064 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.241 -8.135 1.621 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.480 -7.551 3.088 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.215 -8.736 2.723 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.131 -8.862 4.095 1.00 15.00 H new ATOM 656 N PRO B 209 -6.623 -3.506 3.044 1.00 15.00 N ATOM 657 CA PRO B 209 -7.615 -2.496 2.663 1.00 15.00 C ATOM 658 C PRO B 209 -7.850 -2.480 1.152 1.00 15.00 C ATOM 659 O PRO B 209 -6.896 -2.435 0.374 1.00 15.00 O ATOM 660 CB PRO B 209 -6.976 -1.170 3.129 1.00 15.00 C ATOM 661 CG PRO B 209 -5.864 -1.569 4.035 1.00 15.00 C ATOM 662 CD PRO B 209 -5.382 -2.885 3.516 1.00 15.00 C ATOM 0 HA PRO B 209 -8.592 -2.684 3.108 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.606 -0.592 2.282 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.702 -0.544 3.648 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.065 -0.827 4.027 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.209 -1.655 5.065 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.656 -2.764 2.712 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.901 -3.478 4.294 1.00 15.00 H new ATOM 670 N PRO B 210 -9.127 -2.526 0.724 1.00 15.00 N ATOM 671 CA PRO B 210 -9.494 -2.543 -0.700 1.00 15.00 C ATOM 672 C PRO B 210 -8.859 -1.392 -1.475 1.00 15.00 C ATOM 673 O PRO B 210 -8.894 -0.241 -1.025 1.00 15.00 O ATOM 674 CB PRO B 210 -11.017 -2.388 -0.679 1.00 15.00 C ATOM 675 CG PRO B 210 -11.435 -2.885 0.660 1.00 15.00 C ATOM 676 CD PRO B 210 -10.311 -2.552 1.600 1.00 15.00 C ATOM 0 HA PRO B 210 -9.150 -3.450 -1.196 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.310 -1.348 -0.823 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.484 -2.965 -1.478 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.363 -2.410 0.979 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.618 -3.959 0.637 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.469 -1.591 2.090 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.211 -3.299 2.387 1.00 15.00 H new ATOM 684 N TYR B 211 -8.285 -1.704 -2.634 1.00 15.00 N ATOM 685 CA TYR B 211 -7.590 -0.701 -3.434 1.00 15.00 C ATOM 686 C TYR B 211 -8.519 0.435 -3.850 1.00 15.00 C ATOM 687 O TYR B 211 -9.328 0.306 -4.772 1.00 15.00 O ATOM 688 CB TYR B 211 -6.906 -1.324 -4.664 1.00 15.00 C ATOM 689 CG TYR B 211 -6.374 -0.296 -5.654 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.805 0.881 -5.197 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.440 -0.493 -7.036 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.326 1.830 -6.063 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.951 0.471 -7.906 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.406 1.615 -7.408 1.00 15.00 C ATOM 695 OH TYR B 211 -4.934 2.552 -8.267 1.00 15.00 O ATOM 0 H TYR B 211 -8.287 -2.640 -3.039 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.812 -0.279 -2.798 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.082 -1.954 -4.330 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.617 -1.973 -5.175 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.737 1.055 -4.133 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.874 -1.401 -7.429 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.888 2.741 -5.683 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.002 0.315 -8.973 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.143 2.982 -7.880 1.00 15.00 H new ATOM 705 N SER B 212 -8.405 1.537 -3.129 1.00 15.00 N ATOM 706 CA SER B 212 -9.048 2.777 -3.501 1.00 15.00 C ATOM 707 C SER B 212 -8.097 3.546 -4.405 1.00 15.00 C ATOM 708 O SER B 212 -6.894 3.559 -4.150 1.00 15.00 O ATOM 709 CB SER B 212 -9.356 3.590 -2.243 1.00 15.00 C ATOM 710 OG SER B 212 -10.013 2.792 -1.268 1.00 15.00 O ATOM 0 H SER B 212 -7.862 1.593 -2.268 1.00 15.00 H new ATOM 0 HA SER B 212 -9.984 2.584 -4.024 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.430 3.989 -1.828 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.983 4.443 -2.502 1.00 15.00 H new ATOM 0 HG SER B 212 -10.198 3.334 -0.472 1.00 15.00 H new ATOM 716 N ARG B 213 -8.625 4.208 -5.430 1.00 15.00 N ATOM 717 CA ARG B 213 -7.775 4.872 -6.411 1.00 15.00 C ATOM 718 C ARG B 213 -6.908 5.919 -5.733 1.00 15.00 C ATOM 719 O ARG B 213 -5.679 5.860 -5.794 1.00 15.00 O ATOM 720 CB ARG B 213 -8.616 5.546 -7.502 1.00 15.00 C ATOM 721 CG ARG B 213 -9.415 4.582 -8.356 1.00 15.00 C ATOM 722 CD ARG B 213 -8.509 3.630 -9.113 1.00 15.00 C ATOM 723 NE ARG B 213 -9.273 2.748 -9.992 1.00 15.00 N ATOM 724 CZ ARG B 213 -9.736 1.546 -9.634 1.00 15.00 C ATOM 725 NH1 ARG B 213 -9.472 1.052 -8.428 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -10.469 0.837 -10.484 1.00 15.00 N ATOM 0 H ARG B 213 -9.626 4.298 -5.602 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.143 4.113 -6.871 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.301 6.252 -7.033 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.956 6.125 -8.148 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.096 4.013 -7.724 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.028 5.142 -9.062 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.792 4.201 -9.703 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.935 3.032 -8.405 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.466 3.070 -10.940 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.912 1.591 -7.767 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.829 0.134 -8.163 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.679 1.209 -11.410 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.822 -0.080 -10.211 1.00 15.00 H new ATOM 740 N TYR B 214 -7.553 6.885 -5.108 1.00 15.00 N ATOM 741 CA TYR B 214 -6.845 7.921 -4.388 1.00 15.00 C ATOM 742 C TYR B 214 -7.247 7.924 -2.916 1.00 15.00 C ATOM 743 O TYR B 214 -8.314 8.417 -2.550 1.00 15.00 O ATOM 744 CB TYR B 214 -7.072 9.278 -5.059 1.00 15.00 C ATOM 745 CG TYR B 214 -6.384 9.372 -6.404 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.907 8.731 -7.520 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.194 10.071 -6.547 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.264 8.780 -8.739 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.548 10.135 -7.766 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.085 9.485 -8.856 1.00 15.00 C ATOM 751 OH TYR B 214 -4.432 9.530 -10.066 1.00 15.00 O ATOM 0 H TYR B 214 -8.569 6.972 -5.085 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.775 7.716 -4.422 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.142 9.444 -5.187 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.703 10.070 -4.408 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.834 8.184 -7.431 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.766 10.573 -5.692 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.681 8.270 -9.595 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.627 10.691 -7.864 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.618 10.069 -9.979 1.00 15.00 H new ATOM 761 N PRO B 215 -6.409 7.317 -2.060 1.00 15.00 N ATOM 762 CA PRO B 215 -6.684 7.172 -0.634 1.00 15.00 C ATOM 763 C PRO B 215 -6.090 8.298 0.215 1.00 15.00 C ATOM 764 O PRO B 215 -5.854 8.118 1.410 1.00 15.00 O ATOM 765 CB PRO B 215 -5.994 5.846 -0.321 1.00 15.00 C ATOM 766 CG PRO B 215 -4.817 5.790 -1.242 1.00 15.00 C ATOM 767 CD PRO B 215 -5.123 6.690 -2.418 1.00 15.00 C ATOM 0 HA PRO B 215 -7.750 7.206 -0.409 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.680 5.802 0.722 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.665 5.004 -0.488 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.913 6.120 -0.731 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.639 4.768 -1.576 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.342 7.436 -2.564 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.200 6.123 -3.346 1.00 15.00 H new ATOM 775 N MET B 216 -5.873 9.462 -0.385 1.00 15.00 N ATOM 776 CA MET B 216 -5.301 10.584 0.348 1.00 15.00 C ATOM 777 C MET B 216 -6.377 11.281 1.175 1.00 15.00 C ATOM 778 O MET B 216 -7.427 11.669 0.658 1.00 15.00 O ATOM 779 CB MET B 216 -4.605 11.585 -0.595 1.00 15.00 C ATOM 780 CG MET B 216 -5.537 12.395 -1.485 1.00 15.00 C ATOM 781 SD MET B 216 -6.416 11.383 -2.685 1.00 15.00 S ATOM 782 CE MET B 216 -7.390 12.628 -3.527 1.00 15.00 C ATOM 0 H MET B 216 -6.081 9.653 -1.365 1.00 15.00 H new ATOM 0 HA MET B 216 -4.541 10.188 1.022 1.00 15.00 H new ATOM 0 HB2 MET B 216 -4.013 12.275 0.007 1.00 15.00 H new ATOM 0 HB3 MET B 216 -3.908 11.037 -1.230 1.00 15.00 H new ATOM 0 HG2 MET B 216 -6.260 12.921 -0.862 1.00 15.00 H new ATOM 0 HG3 MET B 216 -4.959 13.154 -2.012 1.00 15.00 H new ATOM 0 HE1 MET B 216 -7.992 12.156 -4.303 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.045 13.123 -2.811 1.00 15.00 H new ATOM 0 HE3 MET B 216 -6.726 13.364 -3.980 1.00 15.00 H new ATOM 792 N ASP B 217 -6.116 11.418 2.462 1.00 15.00 N ATOM 793 CA ASP B 217 -7.038 12.092 3.360 1.00 15.00 C ATOM 794 C ASP B 217 -6.286 13.132 4.166 1.00 15.00 C ATOM 795 O ASP B 217 -6.580 14.334 4.014 1.00 15.00 O ATOM 796 CB ASP B 217 -7.716 11.094 4.298 1.00 15.00 C ATOM 797 CG ASP B 217 -8.793 11.739 5.148 1.00 15.00 C ATOM 798 OD1 ASP B 217 -9.935 11.886 4.658 1.00 15.00 O1- ATOM 799 OD2 ASP B 217 -8.508 12.096 6.309 1.00 15.00 O ATOM 800 OXT ASP B 217 -5.356 12.741 4.904 1.00 15.00 O ATOM 0 H ASP B 217 -5.269 11.070 2.911 1.00 15.00 H new ATOM 0 HA ASP B 217 -7.812 12.577 2.766 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -8.155 10.288 3.710 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -6.966 10.643 4.948 1.00 15.00 H new TER 805 ASP B 217