USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 302 ASN :FLIP amide:sc= -1.51 F(o=-3.6!,f=-1.2) USER MOD Set 1.2: A 303 ASN : amide:sc= 0.321 X(o=-1.2,f=-1.5) USER MOD Single : A 290 SER OG : rot 130:sc= 0.934 USER MOD Single : A 291 THR OG1 : rot -170:sc=-0.00524 USER MOD Single : A 293 SER OG : rot -36:sc= 0.0746 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.681 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -8.53! C(o=-13!,f=-8.5!) USER MOD Single : A 305 THR OG1 : rot -56:sc= 1.19 USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.8!) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0.057 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -13.832 7.838 -4.123 1.00 15.00 N ATOM 2 CA LEU A 279 -12.760 7.996 -3.117 1.00 15.00 C ATOM 3 C LEU A 279 -13.178 7.355 -1.803 1.00 15.00 C ATOM 4 O LEU A 279 -14.087 7.837 -1.125 1.00 15.00 O ATOM 5 CB LEU A 279 -12.428 9.477 -2.871 1.00 15.00 C ATOM 6 CG LEU A 279 -11.769 10.233 -4.034 1.00 15.00 C ATOM 7 CD1 LEU A 279 -12.790 10.613 -5.095 1.00 15.00 C ATOM 8 CD2 LEU A 279 -11.052 11.472 -3.522 1.00 15.00 C ATOM 0 HA LEU A 279 -11.870 7.502 -3.507 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -13.350 9.994 -2.607 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -11.768 9.540 -2.006 1.00 15.00 H new ATOM 0 HG LEU A 279 -11.038 9.568 -4.494 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -12.292 11.147 -5.904 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -13.258 9.711 -5.489 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -13.553 11.254 -4.653 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -10.590 11.997 -4.358 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -11.769 12.131 -3.032 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -10.282 11.178 -2.808 1.00 15.00 H new ATOM 22 N GLY A 280 -12.534 6.249 -1.464 1.00 15.00 N ATOM 23 CA GLY A 280 -12.803 5.590 -0.204 1.00 15.00 C ATOM 24 C GLY A 280 -11.990 6.184 0.929 1.00 15.00 C ATOM 25 O GLY A 280 -11.143 7.051 0.697 1.00 15.00 O ATOM 0 H GLY A 280 -11.827 5.795 -2.042 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -13.865 5.672 0.029 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -12.577 4.527 -0.295 1.00 15.00 H new ATOM 29 N PRO A 281 -12.207 5.721 2.165 1.00 15.00 N ATOM 30 CA PRO A 281 -11.548 6.273 3.342 1.00 15.00 C ATOM 31 C PRO A 281 -10.219 5.582 3.660 1.00 15.00 C ATOM 32 O PRO A 281 -10.162 4.364 3.844 1.00 15.00 O ATOM 33 CB PRO A 281 -12.572 6.003 4.444 1.00 15.00 C ATOM 34 CG PRO A 281 -13.288 4.756 4.020 1.00 15.00 C ATOM 35 CD PRO A 281 -13.130 4.630 2.521 1.00 15.00 C ATOM 0 HA PRO A 281 -11.283 7.323 3.216 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.085 5.868 5.410 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.265 6.838 4.551 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -12.871 3.884 4.524 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.342 4.808 4.292 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -12.724 3.657 2.243 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.087 4.734 2.009 1.00 15.00 H new ATOM 43 N LEU A 282 -9.154 6.370 3.717 1.00 15.00 N ATOM 44 CA LEU A 282 -7.824 5.851 4.005 1.00 15.00 C ATOM 45 C LEU A 282 -7.577 5.842 5.511 1.00 15.00 C ATOM 46 O LEU A 282 -7.570 6.899 6.148 1.00 15.00 O ATOM 47 CB LEU A 282 -6.766 6.714 3.310 1.00 15.00 C ATOM 48 CG LEU A 282 -5.353 6.128 3.271 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.296 4.924 2.340 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.350 7.188 2.842 1.00 15.00 C ATOM 0 H LEU A 282 -9.186 7.378 3.566 1.00 15.00 H new ATOM 0 HA LEU A 282 -7.756 4.830 3.630 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.091 6.900 2.286 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -6.725 7.681 3.812 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.091 5.793 4.275 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.283 4.522 2.326 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.986 4.158 2.694 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.579 5.229 1.333 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.350 6.755 2.819 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.610 7.554 1.848 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.371 8.016 3.550 1.00 15.00 H new ATOM 62 N PRO A 283 -7.397 4.651 6.101 1.00 15.00 N ATOM 63 CA PRO A 283 -7.136 4.509 7.537 1.00 15.00 C ATOM 64 C PRO A 283 -5.807 5.144 7.945 1.00 15.00 C ATOM 65 O PRO A 283 -4.803 5.010 7.243 1.00 15.00 O ATOM 66 CB PRO A 283 -7.096 2.988 7.753 1.00 15.00 C ATOM 67 CG PRO A 283 -7.744 2.405 6.544 1.00 15.00 C ATOM 68 CD PRO A 283 -7.437 3.349 5.422 1.00 15.00 C ATOM 0 HA PRO A 283 -7.892 5.012 8.140 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.071 2.632 7.861 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.629 2.705 8.661 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.355 1.408 6.334 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.820 2.304 6.687 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.487 3.113 4.942 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.202 3.320 4.646 1.00 15.00 H new ATOM 76 N PRO A 284 -5.788 5.842 9.093 1.00 15.00 N ATOM 77 CA PRO A 284 -4.586 6.505 9.607 1.00 15.00 C ATOM 78 C PRO A 284 -3.404 5.548 9.748 1.00 15.00 C ATOM 79 O PRO A 284 -3.484 4.542 10.457 1.00 15.00 O ATOM 80 CB PRO A 284 -5.016 7.033 10.983 1.00 15.00 C ATOM 81 CG PRO A 284 -6.284 6.317 11.305 1.00 15.00 C ATOM 82 CD PRO A 284 -6.937 6.037 9.984 1.00 15.00 C ATOM 0 HA PRO A 284 -4.240 7.285 8.930 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.252 6.836 11.735 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.169 8.112 10.959 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.085 5.393 11.847 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.928 6.926 11.939 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.572 5.152 10.025 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.566 6.866 9.659 1.00 15.00 H new ATOM 90 N GLY A 285 -2.317 5.857 9.056 1.00 15.00 N ATOM 91 CA GLY A 285 -1.134 5.022 9.120 1.00 15.00 C ATOM 92 C GLY A 285 -0.979 4.144 7.896 1.00 15.00 C ATOM 93 O GLY A 285 -0.055 3.330 7.821 1.00 15.00 O ATOM 0 H GLY A 285 -2.233 6.673 8.450 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.252 5.654 9.224 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.183 4.394 10.010 1.00 15.00 H new ATOM 97 N TRP A 286 -1.885 4.308 6.942 1.00 15.00 N ATOM 98 CA TRP A 286 -1.816 3.579 5.685 1.00 15.00 C ATOM 99 C TRP A 286 -1.009 4.355 4.671 1.00 15.00 C ATOM 100 O TRP A 286 -1.453 5.388 4.166 1.00 15.00 O ATOM 101 CB TRP A 286 -3.220 3.330 5.104 1.00 15.00 C ATOM 102 CG TRP A 286 -3.859 2.061 5.567 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.018 1.654 6.858 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.422 1.022 4.742 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.632 0.429 6.895 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.884 0.016 5.614 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.579 0.831 3.352 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.481 -1.153 5.155 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.164 -0.341 2.909 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.604 -1.318 3.805 1.00 15.00 C ATOM 0 H TRP A 286 -2.680 4.943 7.016 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.339 2.621 5.892 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.865 4.167 5.371 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.153 3.314 4.016 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.705 2.215 7.726 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.864 -0.091 7.741 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.250 1.583 2.651 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.836 -1.906 5.844 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.283 -0.504 1.848 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.051 -2.223 3.422 1.00 15.00 H new ATOM 121 N GLU A 287 0.184 3.875 4.385 1.00 15.00 N ATOM 122 CA GLU A 287 0.951 4.437 3.309 1.00 15.00 C ATOM 123 C GLU A 287 0.657 3.655 2.048 1.00 15.00 C ATOM 124 O GLU A 287 0.883 2.448 1.976 1.00 15.00 O ATOM 125 CB GLU A 287 2.442 4.427 3.630 1.00 15.00 C ATOM 126 CG GLU A 287 2.943 5.723 4.247 1.00 15.00 C ATOM 127 CD GLU A 287 2.239 6.096 5.535 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.318 5.320 6.509 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.649 7.195 5.591 1.00 15.00 O1- ATOM 0 H GLU A 287 0.634 3.105 4.881 1.00 15.00 H new ATOM 0 HA GLU A 287 0.667 5.480 3.165 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.652 3.604 4.314 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.000 4.231 2.715 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.012 5.634 4.440 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.816 6.531 3.527 1.00 15.00 H new ATOM 136 N VAL A 288 0.123 4.338 1.063 1.00 15.00 N ATOM 137 CA VAL A 288 -0.219 3.698 -0.185 1.00 15.00 C ATOM 138 C VAL A 288 0.969 3.762 -1.131 1.00 15.00 C ATOM 139 O VAL A 288 1.306 4.816 -1.668 1.00 15.00 O ATOM 140 CB VAL A 288 -1.482 4.337 -0.820 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.432 5.858 -0.742 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.657 3.882 -2.260 1.00 15.00 C ATOM 0 H VAL A 288 -0.084 5.336 1.102 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.457 2.652 0.010 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.345 3.999 -0.246 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.331 6.275 -1.195 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.375 6.167 0.302 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.554 6.221 -1.276 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.549 4.344 -2.682 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.785 4.177 -2.843 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.762 2.797 -2.289 1.00 15.00 H new ATOM 152 N ARG A 289 1.640 2.632 -1.299 1.00 15.00 N ATOM 153 CA ARG A 289 2.802 2.596 -2.149 1.00 15.00 C ATOM 154 C ARG A 289 2.368 2.114 -3.526 1.00 15.00 C ATOM 155 O ARG A 289 2.245 0.919 -3.785 1.00 15.00 O ATOM 156 CB ARG A 289 3.910 1.729 -1.512 1.00 15.00 C ATOM 157 CG ARG A 289 5.325 2.013 -2.024 1.00 15.00 C ATOM 158 CD ARG A 289 5.502 1.609 -3.479 1.00 15.00 C ATOM 159 NE ARG A 289 6.772 2.051 -4.060 1.00 15.00 N ATOM 160 CZ ARG A 289 7.850 1.268 -4.215 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.904 0.064 -3.662 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 8.886 1.702 -4.920 1.00 15.00 N ATOM 0 H ARG A 289 1.398 1.743 -0.861 1.00 15.00 H new ATOM 0 HA ARG A 289 3.238 3.589 -2.263 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.893 1.879 -0.433 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.678 0.679 -1.692 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.542 3.076 -1.915 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.047 1.475 -1.409 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.435 0.524 -3.557 1.00 15.00 H new ATOM 0 HD3 ARG A 289 4.681 2.022 -4.065 1.00 15.00 H new ATOM 0 HE ARG A 289 6.841 3.021 -4.368 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.118 -0.279 -3.109 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.731 -0.519 -3.789 1.00 15.00 H new ATOM 0 HH21 ARG A 289 8.862 2.630 -5.343 1.00 15.00 H new ATOM 0 HH22 ARG A 289 9.707 1.108 -5.039 1.00 15.00 H new ATOM 176 N SER A 290 2.031 3.075 -4.365 1.00 15.00 N ATOM 177 CA SER A 290 1.566 2.803 -5.705 1.00 15.00 C ATOM 178 C SER A 290 2.728 2.832 -6.681 1.00 15.00 C ATOM 179 O SER A 290 3.429 3.833 -6.804 1.00 15.00 O ATOM 180 CB SER A 290 0.502 3.830 -6.083 1.00 15.00 C ATOM 181 OG SER A 290 0.807 5.098 -5.524 1.00 15.00 O ATOM 0 H SER A 290 2.073 4.067 -4.133 1.00 15.00 H new ATOM 0 HA SER A 290 1.124 1.807 -5.747 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.438 3.912 -7.168 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.474 3.497 -5.730 1.00 15.00 H new ATOM 0 HG SER A 290 0.763 5.783 -6.223 1.00 15.00 H new ATOM 187 N THR A 291 2.940 1.727 -7.371 1.00 15.00 N ATOM 188 CA THR A 291 4.078 1.610 -8.255 1.00 15.00 C ATOM 189 C THR A 291 3.657 1.754 -9.714 1.00 15.00 C ATOM 190 O THR A 291 2.584 1.285 -10.116 1.00 15.00 O ATOM 191 CB THR A 291 4.808 0.277 -8.028 1.00 15.00 C ATOM 192 OG1 THR A 291 3.891 -0.818 -8.174 1.00 15.00 O ATOM 193 CG2 THR A 291 5.418 0.247 -6.635 1.00 15.00 C ATOM 0 H THR A 291 2.341 0.903 -7.335 1.00 15.00 H new ATOM 0 HA THR A 291 4.768 2.422 -8.024 1.00 15.00 H new ATOM 0 HB THR A 291 5.601 0.182 -8.770 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.321 -1.647 -7.875 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.933 -0.702 -6.484 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.129 1.067 -6.531 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.630 0.355 -5.890 1.00 15.00 H new ATOM 201 N VAL A 292 4.516 2.404 -10.497 1.00 15.00 N ATOM 202 CA VAL A 292 4.237 2.711 -11.898 1.00 15.00 C ATOM 203 C VAL A 292 4.081 1.435 -12.735 1.00 15.00 C ATOM 204 O VAL A 292 3.598 1.471 -13.866 1.00 15.00 O ATOM 205 CB VAL A 292 5.336 3.624 -12.489 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.656 2.886 -12.618 1.00 15.00 C ATOM 207 CG2 VAL A 292 4.906 4.212 -13.823 1.00 15.00 C ATOM 0 H VAL A 292 5.427 2.733 -10.177 1.00 15.00 H new ATOM 0 HA VAL A 292 3.288 3.246 -11.935 1.00 15.00 H new ATOM 0 HB VAL A 292 5.485 4.450 -11.794 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.408 3.555 -13.036 1.00 15.00 H new ATOM 0 HG12 VAL A 292 6.980 2.546 -11.635 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.529 2.026 -13.276 1.00 15.00 H new ATOM 0 HG21 VAL A 292 5.700 4.849 -14.213 1.00 15.00 H new ATOM 0 HG22 VAL A 292 4.708 3.406 -14.529 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.001 4.804 -13.685 1.00 15.00 H new ATOM 217 N SER A 293 4.511 0.308 -12.173 1.00 15.00 N ATOM 218 CA SER A 293 4.289 -1.005 -12.775 1.00 15.00 C ATOM 219 C SER A 293 2.788 -1.271 -12.978 1.00 15.00 C ATOM 220 O SER A 293 2.406 -2.211 -13.678 1.00 15.00 O ATOM 221 CB SER A 293 4.909 -2.101 -11.900 1.00 15.00 C ATOM 222 OG SER A 293 4.880 -3.363 -12.549 1.00 15.00 O ATOM 0 H SER A 293 5.022 0.278 -11.290 1.00 15.00 H new ATOM 0 HA SER A 293 4.771 -1.017 -13.752 1.00 15.00 H new ATOM 0 HB2 SER A 293 5.939 -1.837 -11.660 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.368 -2.164 -10.956 1.00 15.00 H new ATOM 0 HG SER A 293 4.054 -3.444 -13.071 1.00 15.00 H new ATOM 228 N GLY A 294 1.951 -0.461 -12.333 1.00 15.00 N ATOM 229 CA GLY A 294 0.516 -0.603 -12.470 1.00 15.00 C ATOM 230 C GLY A 294 -0.072 -1.533 -11.437 1.00 15.00 C ATOM 231 O GLY A 294 -0.947 -2.344 -11.736 1.00 15.00 O ATOM 0 H GLY A 294 2.247 0.295 -11.715 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.047 0.377 -12.382 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.284 -0.979 -13.467 1.00 15.00 H new ATOM 235 N ARG A 295 0.404 -1.401 -10.209 1.00 15.00 N ATOM 236 CA ARG A 295 -0.105 -2.196 -9.102 1.00 15.00 C ATOM 237 C ARG A 295 -0.020 -1.400 -7.802 1.00 15.00 C ATOM 238 O ARG A 295 1.027 -0.832 -7.470 1.00 15.00 O ATOM 239 CB ARG A 295 0.676 -3.516 -8.975 1.00 15.00 C ATOM 240 CG ARG A 295 2.163 -3.328 -8.745 1.00 15.00 C ATOM 241 CD ARG A 295 2.877 -4.661 -8.700 1.00 15.00 C ATOM 242 NE ARG A 295 4.276 -4.539 -8.303 1.00 15.00 N ATOM 243 CZ ARG A 295 5.110 -5.573 -8.249 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.733 -6.759 -8.713 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.335 -5.412 -7.775 1.00 15.00 N ATOM 0 H ARG A 295 1.145 -0.748 -9.953 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.150 -2.436 -9.300 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.261 -4.095 -8.150 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.529 -4.103 -9.882 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.583 -2.713 -9.541 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.325 -2.793 -7.809 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.362 -5.321 -8.002 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.822 -5.131 -9.682 1.00 15.00 H new ATOM 0 HE ARG A 295 4.631 -3.616 -8.055 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.802 -6.878 -9.112 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.375 -7.551 -8.670 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.640 -4.494 -7.451 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.974 -6.206 -7.734 1.00 15.00 H new ATOM 259 N ILE A 296 -1.131 -1.335 -7.084 1.00 15.00 N ATOM 260 CA ILE A 296 -1.157 -0.696 -5.780 1.00 15.00 C ATOM 261 C ILE A 296 -0.894 -1.748 -4.710 1.00 15.00 C ATOM 262 O ILE A 296 -1.396 -2.869 -4.803 1.00 15.00 O ATOM 263 CB ILE A 296 -2.507 0.019 -5.521 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.414 0.896 -4.275 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.650 -0.983 -5.377 1.00 15.00 C ATOM 266 CD1 ILE A 296 -3.663 1.710 -4.019 1.00 15.00 C ATOM 0 H ILE A 296 -2.027 -1.718 -7.384 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.380 0.068 -5.748 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.720 0.650 -6.384 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -2.217 0.264 -3.409 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -1.564 1.571 -4.377 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.582 -0.448 -5.196 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.739 -1.568 -6.293 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.446 -1.650 -4.539 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -3.528 2.310 -3.119 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.849 2.367 -4.868 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -4.513 1.040 -3.885 1.00 15.00 H new ATOM 278 N TYR A 297 -0.085 -1.419 -3.716 1.00 15.00 N ATOM 279 CA TYR A 297 0.284 -2.408 -2.721 1.00 15.00 C ATOM 280 C TYR A 297 0.544 -1.698 -1.423 1.00 15.00 C ATOM 281 O TYR A 297 1.239 -0.669 -1.374 1.00 15.00 O ATOM 282 CB TYR A 297 1.453 -3.315 -3.180 1.00 15.00 C ATOM 283 CG TYR A 297 2.859 -2.858 -2.848 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.433 -1.781 -3.499 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.626 -3.535 -1.899 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.721 -1.388 -3.212 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.915 -3.139 -1.609 1.00 15.00 C ATOM 288 CZ TYR A 297 5.454 -2.064 -2.266 1.00 15.00 C ATOM 289 OH TYR A 297 6.738 -1.662 -1.987 1.00 15.00 O ATOM 0 H TYR A 297 0.321 -0.493 -3.579 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.541 -3.105 -2.576 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.307 -4.302 -2.741 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.383 -3.434 -4.261 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.864 -1.242 -4.242 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.203 -4.384 -1.383 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.156 -0.547 -3.731 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.495 -3.672 -0.870 1.00 15.00 H new ATOM 0 HH TYR A 297 7.119 -2.242 -1.295 1.00 15.00 H new ATOM 299 N PHE A 298 -0.052 -2.204 -0.384 1.00 15.00 N ATOM 300 CA PHE A 298 -0.086 -1.492 0.837 1.00 15.00 C ATOM 301 C PHE A 298 1.053 -1.756 1.757 1.00 15.00 C ATOM 302 O PHE A 298 1.474 -2.890 1.977 1.00 15.00 O ATOM 303 CB PHE A 298 -1.393 -1.711 1.522 1.00 15.00 C ATOM 304 CG PHE A 298 -2.216 -0.547 1.236 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.869 0.634 1.829 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.258 -0.592 0.338 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.555 1.775 1.557 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.957 0.551 0.053 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.597 1.731 0.671 1.00 15.00 C ATOM 0 H PHE A 298 -0.519 -3.110 -0.368 1.00 15.00 H new ATOM 0 HA PHE A 298 0.024 -0.442 0.566 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.871 -2.621 1.161 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.252 -1.830 2.596 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.041 0.661 2.521 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.523 -1.524 -0.140 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.281 2.705 2.034 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.780 0.529 -0.647 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.147 2.635 0.452 1.00 15.00 H new ATOM 319 N VAL A 299 1.502 -0.659 2.316 1.00 15.00 N ATOM 320 CA VAL A 299 2.588 -0.631 3.233 1.00 15.00 C ATOM 321 C VAL A 299 2.202 0.286 4.394 1.00 15.00 C ATOM 322 O VAL A 299 2.410 1.499 4.368 1.00 15.00 O ATOM 323 CB VAL A 299 3.854 -0.123 2.510 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.355 -1.163 1.511 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.549 1.165 1.766 1.00 15.00 C ATOM 0 H VAL A 299 1.102 0.261 2.132 1.00 15.00 H new ATOM 0 HA VAL A 299 2.803 -1.627 3.621 1.00 15.00 H new ATOM 0 HB VAL A 299 4.623 0.057 3.261 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.248 -0.787 1.011 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.596 -2.087 2.037 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.580 -1.359 0.770 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.449 1.515 1.260 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.766 0.983 1.030 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.213 1.923 2.474 1.00 15.00 H new ATOM 335 N ASP A 300 1.587 -0.288 5.399 1.00 15.00 N ATOM 336 CA ASP A 300 1.168 0.491 6.545 1.00 15.00 C ATOM 337 C ASP A 300 2.264 0.432 7.587 1.00 15.00 C ATOM 338 O ASP A 300 2.682 -0.653 8.002 1.00 15.00 O ATOM 339 CB ASP A 300 -0.184 -0.009 7.078 1.00 15.00 C ATOM 340 CG ASP A 300 -0.152 -0.382 8.543 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.232 0.521 9.403 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.039 -1.583 8.838 1.00 15.00 O ATOM 0 H ASP A 300 1.366 -1.282 5.450 1.00 15.00 H new ATOM 0 HA ASP A 300 1.013 1.533 6.264 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.935 0.766 6.924 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.497 -0.876 6.497 1.00 15.00 H new ATOM 347 N HIS A 301 2.763 1.598 7.976 1.00 15.00 N ATOM 348 CA HIS A 301 3.941 1.654 8.825 1.00 15.00 C ATOM 349 C HIS A 301 3.580 1.470 10.298 1.00 15.00 C ATOM 350 O HIS A 301 4.445 1.123 11.103 1.00 15.00 O ATOM 351 CB HIS A 301 4.710 2.980 8.685 1.00 15.00 C ATOM 352 CG HIS A 301 5.055 3.430 7.290 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.425 2.752 6.175 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.154 4.761 6.964 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.754 3.677 5.219 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.573 4.880 5.724 1.00 15.00 N flip ATOM 0 H HIS A 301 2.375 2.506 7.720 1.00 15.00 H new ATOM 0 HA HIS A 301 4.578 0.836 8.489 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.119 3.765 9.157 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.637 2.895 9.252 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.453 1.738 6.068 1.00 15.00 H new ATOM 0 HD2 HIS A 301 4.923 5.583 7.625 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.103 3.457 4.221 1.00 15.00 H new ATOM 365 N ASN A 302 2.321 1.707 10.663 1.00 15.00 N ATOM 366 CA ASN A 302 1.967 1.750 12.081 1.00 15.00 C ATOM 367 C ASN A 302 1.473 0.394 12.582 1.00 15.00 C ATOM 368 O ASN A 302 1.758 0.015 13.719 1.00 15.00 O ATOM 369 CB ASN A 302 0.950 2.866 12.380 1.00 15.00 C ATOM 370 CG ASN A 302 -0.503 2.429 12.315 1.00 15.00 C ATOM 371 OD1 ASN A 302 -1.109 2.550 11.149 1.00 15.00 O flip ATOM 372 ND2 ASN A 302 -1.076 1.994 13.315 1.00 15.00 N flip ATOM 0 H ASN A 302 1.548 1.868 10.017 1.00 15.00 H new ATOM 0 HA ASN A 302 2.878 1.986 12.631 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.151 3.267 13.373 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.104 3.679 11.671 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -0.572 1.916 14.198 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -2.055 1.712 13.260 1.00 15.00 H new ATOM 379 N ASN A 303 0.727 -0.330 11.761 1.00 15.00 N ATOM 380 CA ASN A 303 0.365 -1.707 12.097 1.00 15.00 C ATOM 381 C ASN A 303 1.391 -2.679 11.526 1.00 15.00 C ATOM 382 O ASN A 303 1.495 -3.819 11.986 1.00 15.00 O ATOM 383 CB ASN A 303 -1.027 -2.084 11.576 1.00 15.00 C ATOM 384 CG ASN A 303 -2.134 -1.203 12.112 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.720 -1.486 13.160 1.00 15.00 O ATOM 386 ND2 ASN A 303 -2.440 -0.138 11.391 1.00 15.00 N ATOM 0 H ASN A 303 0.363 0.003 10.868 1.00 15.00 H new ATOM 0 HA ASN A 303 0.350 -1.774 13.185 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.025 -2.029 10.487 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.237 -3.120 11.843 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -3.186 0.487 11.696 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.930 0.059 10.530 1.00 15.00 H new ATOM 393 N ARG A 304 2.129 -2.217 10.510 1.00 15.00 N ATOM 394 CA ARG A 304 3.127 -3.020 9.824 1.00 15.00 C ATOM 395 C ARG A 304 2.441 -4.150 9.051 1.00 15.00 C ATOM 396 O ARG A 304 2.696 -5.334 9.283 1.00 15.00 O ATOM 397 CB ARG A 304 4.160 -3.554 10.825 1.00 15.00 C ATOM 398 CG ARG A 304 5.333 -4.284 10.195 1.00 15.00 C ATOM 399 CD ARG A 304 6.314 -4.747 11.258 1.00 15.00 C ATOM 400 NE ARG A 304 5.632 -5.461 12.338 1.00 15.00 N ATOM 401 CZ ARG A 304 6.192 -6.397 13.097 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.453 -6.759 12.902 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 5.481 -6.967 14.059 1.00 15.00 N ATOM 0 H ARG A 304 2.044 -1.269 10.144 1.00 15.00 H new ATOM 0 HA ARG A 304 3.663 -2.401 9.105 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.542 -2.719 11.413 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.659 -4.229 11.519 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.971 -5.142 9.629 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.839 -3.626 9.488 1.00 15.00 H new ATOM 0 HD2 ARG A 304 7.063 -5.397 10.806 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.844 -3.886 11.666 1.00 15.00 H new ATOM 0 HE ARG A 304 4.657 -5.223 12.521 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.002 -6.318 12.164 1.00 15.00 H new ATOM 0 HH12 ARG A 304 7.874 -7.478 13.490 1.00 15.00 H new ATOM 0 HH21 ARG A 304 4.512 -6.686 14.212 1.00 15.00 H new ATOM 0 HH22 ARG A 304 5.902 -7.686 14.647 1.00 15.00 H new ATOM 417 N THR A 305 1.546 -3.769 8.144 1.00 15.00 N ATOM 418 CA THR A 305 0.790 -4.740 7.358 1.00 15.00 C ATOM 419 C THR A 305 0.861 -4.425 5.864 1.00 15.00 C ATOM 420 O THR A 305 1.015 -3.265 5.469 1.00 15.00 O ATOM 421 CB THR A 305 -0.694 -4.804 7.793 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.314 -3.519 7.669 1.00 15.00 O ATOM 423 CG2 THR A 305 -0.825 -5.297 9.228 1.00 15.00 C ATOM 0 H THR A 305 1.326 -2.795 7.935 1.00 15.00 H new ATOM 0 HA THR A 305 1.251 -5.710 7.543 1.00 15.00 H new ATOM 0 HB THR A 305 -1.199 -5.510 7.133 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.808 -2.860 8.189 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.878 -5.332 9.506 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.395 -6.295 9.311 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.296 -4.617 9.896 1.00 15.00 H new ATOM 431 N THR A 306 0.779 -5.468 5.043 1.00 15.00 N ATOM 432 CA THR A 306 0.788 -5.318 3.595 1.00 15.00 C ATOM 433 C THR A 306 -0.536 -5.799 2.998 1.00 15.00 C ATOM 434 O THR A 306 -1.026 -6.873 3.350 1.00 15.00 O ATOM 435 CB THR A 306 1.961 -6.100 2.973 1.00 15.00 C ATOM 436 OG1 THR A 306 1.985 -7.446 3.475 1.00 15.00 O ATOM 437 CG2 THR A 306 3.283 -5.414 3.286 1.00 15.00 C ATOM 0 H THR A 306 0.705 -6.434 5.362 1.00 15.00 H new ATOM 0 HA THR A 306 0.914 -4.260 3.365 1.00 15.00 H new ATOM 0 HB THR A 306 1.821 -6.124 1.892 1.00 15.00 H new ATOM 0 HG1 THR A 306 2.734 -7.933 3.071 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.101 -5.979 2.839 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.274 -4.404 2.877 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.422 -5.367 4.366 1.00 15.00 H new ATOM 445 N GLN A 307 -1.124 -5.003 2.108 1.00 15.00 N ATOM 446 CA GLN A 307 -2.463 -5.294 1.586 1.00 15.00 C ATOM 447 C GLN A 307 -2.584 -4.966 0.097 1.00 15.00 C ATOM 448 O GLN A 307 -2.277 -3.864 -0.319 1.00 15.00 O ATOM 449 CB GLN A 307 -3.503 -4.488 2.375 1.00 15.00 C ATOM 450 CG GLN A 307 -3.578 -4.874 3.845 1.00 15.00 C ATOM 451 CD GLN A 307 -4.904 -4.533 4.492 1.00 15.00 C ATOM 452 OE1 GLN A 307 -5.947 -4.538 3.841 1.00 15.00 O ATOM 453 NE2 GLN A 307 -4.873 -4.235 5.782 1.00 15.00 N ATOM 0 H GLN A 307 -0.699 -4.155 1.733 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.641 -6.363 1.704 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.265 -3.427 2.297 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.483 -4.629 1.919 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -3.401 -5.945 3.941 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -2.778 -4.369 4.386 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -3.986 -4.242 6.286 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -5.736 -3.998 6.272 1.00 15.00 H new ATOM 462 N PHE A 308 -3.058 -5.908 -0.704 1.00 15.00 N ATOM 463 CA PHE A 308 -3.288 -5.630 -2.123 1.00 15.00 C ATOM 464 C PHE A 308 -4.671 -5.037 -2.349 1.00 15.00 C ATOM 465 O PHE A 308 -4.964 -4.503 -3.419 1.00 15.00 O ATOM 466 CB PHE A 308 -3.106 -6.881 -2.990 1.00 15.00 C ATOM 467 CG PHE A 308 -1.701 -7.065 -3.490 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.020 -6.007 -4.077 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.065 -8.290 -3.389 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.269 -6.169 -4.547 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.220 -8.454 -3.858 1.00 15.00 C ATOM 472 CZ PHE A 308 0.890 -7.394 -4.436 1.00 15.00 C ATOM 0 H PHE A 308 -3.289 -6.856 -0.408 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.538 -4.900 -2.425 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.395 -7.759 -2.412 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.782 -6.824 -3.843 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.504 -5.046 -4.167 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.581 -9.125 -2.938 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.789 -5.338 -5.000 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.705 -9.415 -3.773 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.898 -7.525 -4.800 1.00 15.00 H new ATOM 482 N THR A 309 -5.521 -5.150 -1.346 1.00 15.00 N ATOM 483 CA THR A 309 -6.868 -4.614 -1.417 1.00 15.00 C ATOM 484 C THR A 309 -6.912 -3.167 -0.928 1.00 15.00 C ATOM 485 O THR A 309 -6.718 -2.893 0.258 1.00 15.00 O ATOM 486 CB THR A 309 -7.839 -5.484 -0.598 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.181 -5.978 0.581 1.00 15.00 O ATOM 488 CG2 THR A 309 -8.349 -6.654 -1.429 1.00 15.00 C ATOM 0 H THR A 309 -5.300 -5.613 -0.464 1.00 15.00 H new ATOM 0 HA THR A 309 -7.179 -4.629 -2.461 1.00 15.00 H new ATOM 0 HB THR A 309 -8.689 -4.867 -0.307 1.00 15.00 H new ATOM 0 HG1 THR A 309 -7.805 -6.529 1.098 1.00 15.00 H new ATOM 0 HG21 THR A 309 -9.033 -7.255 -0.830 1.00 15.00 H new ATOM 0 HG22 THR A 309 -8.872 -6.276 -2.307 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.507 -7.270 -1.745 1.00 15.00 H new ATOM 496 N ASP A 310 -7.152 -2.246 -1.852 1.00 15.00 N ATOM 497 CA ASP A 310 -7.208 -0.824 -1.526 1.00 15.00 C ATOM 498 C ASP A 310 -8.629 -0.408 -1.154 1.00 15.00 C ATOM 499 O ASP A 310 -9.591 -0.769 -1.839 1.00 15.00 O ATOM 500 CB ASP A 310 -6.718 0.021 -2.704 1.00 15.00 C ATOM 501 CG ASP A 310 -6.883 1.508 -2.448 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.028 2.099 -1.760 1.00 15.00 O ATOM 503 OD2 ASP A 310 -7.880 2.082 -2.921 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.312 -2.458 -2.837 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.555 -0.654 -0.670 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.668 -0.199 -2.895 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.270 -0.255 -3.602 1.00 15.00 H new ATOM 508 N PRO A 311 -8.773 0.363 -0.062 1.00 15.00 N ATOM 509 CA PRO A 311 -10.073 0.812 0.440 1.00 15.00 C ATOM 510 C PRO A 311 -10.633 2.035 -0.295 1.00 15.00 C ATOM 511 O PRO A 311 -11.804 2.377 -0.129 1.00 15.00 O ATOM 512 CB PRO A 311 -9.764 1.166 1.895 1.00 15.00 C ATOM 513 CG PRO A 311 -8.355 1.646 1.864 1.00 15.00 C ATOM 514 CD PRO A 311 -7.664 0.845 0.790 1.00 15.00 C ATOM 0 HA PRO A 311 -10.839 0.048 0.303 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.439 1.936 2.269 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.875 0.300 2.548 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.311 2.713 1.644 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.872 1.500 2.830 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.962 1.457 0.224 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.095 0.017 1.213 1.00 15.00 H new ATOM 522 N ARG A 312 -9.797 2.726 -1.064 1.00 15.00 N ATOM 523 CA ARG A 312 -10.216 3.976 -1.687 1.00 15.00 C ATOM 524 C ARG A 312 -10.784 3.747 -3.082 1.00 15.00 C ATOM 525 O ARG A 312 -11.440 4.628 -3.642 1.00 15.00 O ATOM 526 CB ARG A 312 -9.070 4.985 -1.760 1.00 15.00 C ATOM 527 CG ARG A 312 -8.377 5.229 -0.432 1.00 15.00 C ATOM 528 CD ARG A 312 -7.653 6.563 -0.429 1.00 15.00 C ATOM 529 NE ARG A 312 -8.565 7.682 -0.170 1.00 15.00 N ATOM 530 CZ ARG A 312 -8.304 8.953 -0.486 1.00 15.00 C ATOM 531 NH1 ARG A 312 -7.213 9.262 -1.178 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -9.149 9.913 -0.130 1.00 15.00 N ATOM 0 H ARG A 312 -8.838 2.446 -1.269 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.002 4.387 -1.053 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.334 4.632 -2.483 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.457 5.932 -2.136 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -9.111 5.209 0.374 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.666 4.426 -0.236 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.871 6.549 0.330 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -7.161 6.711 -1.391 1.00 15.00 H new ATOM 0 HE ARG A 312 -9.457 7.476 0.281 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.570 8.527 -1.471 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -7.019 10.235 -1.417 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -9.998 9.680 0.385 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.949 10.884 -0.372 1.00 15.00 H new ATOM 546 N LEU A 313 -10.497 2.589 -3.652 1.00 15.00 N ATOM 547 CA LEU A 313 -11.052 2.217 -4.944 1.00 15.00 C ATOM 548 C LEU A 313 -12.539 1.921 -4.816 1.00 15.00 C ATOM 549 O LEU A 313 -13.350 2.818 -5.132 1.00 15.00 O ATOM 550 CB LEU A 313 -10.314 1.007 -5.523 1.00 15.00 C ATOM 551 CG LEU A 313 -8.845 1.248 -5.867 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.213 -0.019 -6.416 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.708 2.387 -6.867 1.00 15.00 C ATOM 0 H LEU A 313 -9.881 1.888 -3.240 1.00 15.00 H new ATOM 0 HA LEU A 313 -10.921 3.056 -5.628 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -10.374 0.188 -4.807 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.833 0.681 -6.424 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.321 1.529 -4.953 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.167 0.171 -6.656 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.276 -0.810 -5.669 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.742 -0.328 -7.318 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.654 2.543 -7.099 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -9.247 2.136 -7.780 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.124 3.299 -6.439 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -0.240 -10.183 -9.855 1.00 15.00 N ATOM 567 CA ASP B 221 0.894 -9.744 -9.014 1.00 15.00 C ATOM 568 C ASP B 221 1.002 -10.605 -7.764 1.00 15.00 C ATOM 569 O ASP B 221 0.029 -10.787 -7.029 1.00 15.00 O ATOM 570 CB ASP B 221 0.761 -8.257 -8.663 1.00 15.00 C ATOM 571 CG ASP B 221 1.151 -7.385 -9.832 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.366 -7.207 -10.051 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 0.250 -6.899 -10.544 1.00 15.00 O ATOM 0 HA ASP B 221 1.816 -9.870 -9.581 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.266 -8.040 -8.370 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.393 -8.025 -7.806 1.00 15.00 H new ATOM 578 N THR B 222 2.201 -11.133 -7.543 1.00 15.00 N ATOM 579 CA THR B 222 2.470 -12.065 -6.455 1.00 15.00 C ATOM 580 C THR B 222 2.388 -11.382 -5.085 1.00 15.00 C ATOM 581 O THR B 222 2.300 -10.157 -5.017 1.00 15.00 O ATOM 582 CB THR B 222 3.861 -12.701 -6.662 1.00 15.00 C ATOM 583 OG1 THR B 222 4.805 -11.693 -7.057 1.00 15.00 O ATOM 584 CG2 THR B 222 3.802 -13.792 -7.719 1.00 15.00 C ATOM 0 H THR B 222 3.018 -10.925 -8.117 1.00 15.00 H new ATOM 0 HA THR B 222 1.705 -12.841 -6.470 1.00 15.00 H new ATOM 0 HB THR B 222 4.180 -13.147 -5.720 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.686 -12.102 -7.185 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.793 -14.227 -7.849 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.104 -14.567 -7.403 1.00 15.00 H new ATOM 0 HG23 THR B 222 3.466 -13.365 -8.664 1.00 15.00 H new ATOM 592 N PRO B 223 2.438 -12.166 -3.977 1.00 15.00 N ATOM 593 CA PRO B 223 2.219 -11.653 -2.613 1.00 15.00 C ATOM 594 C PRO B 223 3.028 -10.395 -2.297 1.00 15.00 C ATOM 595 O PRO B 223 4.168 -10.239 -2.749 1.00 15.00 O ATOM 596 CB PRO B 223 2.682 -12.814 -1.732 1.00 15.00 C ATOM 597 CG PRO B 223 2.411 -14.024 -2.547 1.00 15.00 C ATOM 598 CD PRO B 223 2.681 -13.625 -3.969 1.00 15.00 C ATOM 0 HA PRO B 223 1.182 -11.352 -2.462 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.740 -12.729 -1.486 1.00 15.00 H new ATOM 0 HB3 PRO B 223 2.137 -12.840 -0.789 1.00 15.00 H new ATOM 0 HG2 PRO B 223 3.052 -14.852 -2.244 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.381 -14.357 -2.423 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.703 -13.862 -4.264 1.00 15.00 H new ATOM 0 HD3 PRO B 223 2.020 -14.145 -4.663 1.00 15.00 H new ATOM 606 N PRO B 224 2.443 -9.499 -1.484 1.00 15.00 N ATOM 607 CA PRO B 224 2.996 -8.166 -1.222 1.00 15.00 C ATOM 608 C PRO B 224 4.373 -8.197 -0.566 1.00 15.00 C ATOM 609 O PRO B 224 4.603 -8.928 0.401 1.00 15.00 O ATOM 610 CB PRO B 224 1.971 -7.520 -0.282 1.00 15.00 C ATOM 611 CG PRO B 224 1.216 -8.657 0.312 1.00 15.00 C ATOM 612 CD PRO B 224 1.194 -9.731 -0.735 1.00 15.00 C ATOM 0 HA PRO B 224 3.150 -7.619 -2.152 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.463 -6.928 0.490 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.307 -6.847 -0.825 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.697 -9.011 1.224 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.204 -8.355 0.582 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.170 -10.726 -0.290 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.318 -9.648 -1.378 1.00 15.00 H new ATOM 620 N PRO B 225 5.302 -7.399 -1.113 1.00 15.00 N ATOM 621 CA PRO B 225 6.654 -7.213 -0.560 1.00 15.00 C ATOM 622 C PRO B 225 6.641 -6.623 0.850 1.00 15.00 C ATOM 623 O PRO B 225 5.580 -6.338 1.404 1.00 15.00 O ATOM 624 CB PRO B 225 7.287 -6.202 -1.525 1.00 15.00 C ATOM 625 CG PRO B 225 6.506 -6.325 -2.783 1.00 15.00 C ATOM 626 CD PRO B 225 5.107 -6.628 -2.351 1.00 15.00 C ATOM 0 HA PRO B 225 7.185 -8.161 -0.475 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.234 -5.189 -1.125 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.341 -6.424 -1.692 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.547 -5.403 -3.363 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.903 -7.119 -3.416 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.533 -5.718 -2.174 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.568 -7.203 -3.104 1.00 15.00 H new ATOM 634 N ALA B 226 7.830 -6.425 1.418 1.00 15.00 N ATOM 635 CA ALA B 226 7.960 -5.736 2.694 1.00 15.00 C ATOM 636 C ALA B 226 7.475 -4.298 2.549 1.00 15.00 C ATOM 637 O ALA B 226 7.345 -3.798 1.430 1.00 15.00 O ATOM 638 CB ALA B 226 9.401 -5.774 3.176 1.00 15.00 C ATOM 0 H ALA B 226 8.714 -6.733 1.013 1.00 15.00 H new ATOM 0 HA ALA B 226 7.345 -6.242 3.438 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.479 -5.254 4.131 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.716 -6.810 3.300 1.00 15.00 H new ATOM 0 HB3 ALA B 226 10.043 -5.285 2.443 1.00 15.00 H new ATOM 644 N TYR B 227 7.221 -3.619 3.659 1.00 15.00 N ATOM 645 CA TYR B 227 6.595 -2.316 3.575 1.00 15.00 C ATOM 646 C TYR B 227 7.624 -1.190 3.541 1.00 15.00 C ATOM 647 O TYR B 227 8.606 -1.173 4.286 1.00 15.00 O ATOM 648 CB TYR B 227 5.577 -2.101 4.699 1.00 15.00 C ATOM 649 CG TYR B 227 6.155 -1.596 6.004 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.290 -0.238 6.222 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.552 -2.464 7.012 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.803 0.255 7.396 1.00 15.00 C ATOM 653 CE2 TYR B 227 7.068 -1.981 8.202 1.00 15.00 C ATOM 654 CZ TYR B 227 7.193 -0.619 8.390 1.00 15.00 C ATOM 655 OH TYR B 227 7.699 -0.129 9.572 1.00 15.00 O ATOM 0 H TYR B 227 7.434 -3.941 4.603 1.00 15.00 H new ATOM 0 HA TYR B 227 6.052 -2.290 2.630 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.824 -1.392 4.355 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.064 -3.044 4.888 1.00 15.00 H new ATOM 0 HD1 TYR B 227 5.984 0.452 5.450 1.00 15.00 H new ATOM 0 HD2 TYR B 227 6.457 -3.530 6.866 1.00 15.00 H new ATOM 0 HE1 TYR B 227 6.901 1.321 7.541 1.00 15.00 H new ATOM 0 HE2 TYR B 227 7.371 -2.666 8.980 1.00 15.00 H new ATOM 0 HH TYR B 227 7.924 -0.875 10.166 1.00 15.00 H new ATOM 665 N LEU B 228 7.355 -0.251 2.661 1.00 15.00 N ATOM 666 CA LEU B 228 8.191 0.911 2.427 1.00 15.00 C ATOM 667 C LEU B 228 7.317 2.150 2.468 1.00 15.00 C ATOM 668 O LEU B 228 6.115 2.044 2.340 1.00 15.00 O ATOM 669 CB LEU B 228 8.919 0.834 1.074 1.00 15.00 C ATOM 670 CG LEU B 228 10.054 -0.192 0.960 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.510 -1.595 0.752 1.00 15.00 C ATOM 672 CD2 LEU B 228 10.988 0.183 -0.178 1.00 15.00 C ATOM 0 H LEU B 228 6.524 -0.273 2.070 1.00 15.00 H new ATOM 0 HA LEU B 228 8.955 0.950 3.204 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.181 0.613 0.303 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.327 1.820 0.851 1.00 15.00 H new ATOM 0 HG LEU B 228 10.611 -0.183 1.897 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.339 -2.299 0.675 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.878 -1.869 1.597 1.00 15.00 H new ATOM 0 HD13 LEU B 228 8.922 -1.625 -0.165 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.789 -0.553 -0.249 1.00 15.00 H new ATOM 0 HD22 LEU B 228 10.431 0.203 -1.114 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.415 1.168 0.011 1.00 15.00 H new ATOM 684 N PRO B 229 7.874 3.342 2.654 1.00 15.00 N ATOM 685 CA PRO B 229 7.060 4.552 2.640 1.00 15.00 C ATOM 686 C PRO B 229 6.927 5.082 1.213 1.00 15.00 C ATOM 687 O PRO B 229 7.789 4.845 0.367 1.00 15.00 O ATOM 688 CB PRO B 229 7.880 5.535 3.498 1.00 15.00 C ATOM 689 CG PRO B 229 9.015 4.735 4.055 1.00 15.00 C ATOM 690 CD PRO B 229 9.236 3.609 3.091 1.00 15.00 C ATOM 0 HA PRO B 229 6.047 4.395 3.011 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.245 6.368 2.898 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.271 5.960 4.296 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.912 5.346 4.154 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.776 4.357 5.049 1.00 15.00 H new ATOM 0 HD2 PRO B 229 9.885 3.896 2.264 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.693 2.742 3.568 1.00 15.00 H new ATOM 698 N PRO B 230 5.844 5.831 0.934 1.00 15.00 N ATOM 699 CA PRO B 230 5.213 5.823 -0.382 1.00 15.00 C ATOM 700 C PRO B 230 5.752 6.846 -1.378 1.00 15.00 C ATOM 701 O PRO B 230 6.132 7.963 -1.022 1.00 15.00 O ATOM 702 CB PRO B 230 3.772 6.161 -0.016 1.00 15.00 C ATOM 703 CG PRO B 230 3.887 7.116 1.122 1.00 15.00 C ATOM 704 CD PRO B 230 5.158 6.765 1.855 1.00 15.00 C ATOM 0 HA PRO B 230 5.381 4.877 -0.897 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.244 6.609 -0.858 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.216 5.268 0.270 1.00 15.00 H new ATOM 0 HG2 PRO B 230 3.919 8.145 0.763 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.024 7.036 1.783 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.764 7.649 2.054 1.00 15.00 H new ATOM 0 HD3 PRO B 230 4.950 6.298 2.818 1.00 15.00 H new ATOM 712 N GLU B 231 5.737 6.437 -2.642 1.00 15.00 N ATOM 713 CA GLU B 231 6.172 7.270 -3.749 1.00 15.00 C ATOM 714 C GLU B 231 5.046 7.383 -4.794 1.00 15.00 C ATOM 715 O GLU B 231 4.700 6.393 -5.439 1.00 15.00 O ATOM 716 CB GLU B 231 7.440 6.675 -4.385 1.00 15.00 C ATOM 717 CG GLU B 231 7.281 5.252 -4.917 1.00 15.00 C ATOM 718 CD GLU B 231 8.570 4.701 -5.478 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.647 5.022 -4.943 1.00 15.00 O ATOM 720 OE2 GLU B 231 8.510 3.906 -6.432 1.00 15.00 O1- ATOM 0 H GLU B 231 5.419 5.510 -2.926 1.00 15.00 H new ATOM 0 HA GLU B 231 6.404 8.268 -3.378 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.756 7.321 -5.204 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.240 6.684 -3.644 1.00 15.00 H new ATOM 0 HG2 GLU B 231 6.931 4.604 -4.114 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.516 5.240 -5.693 1.00 15.00 H new ATOM 727 N ASP B 232 4.437 8.560 -4.940 1.00 15.00 N ATOM 728 CA ASP B 232 3.391 8.743 -5.937 1.00 15.00 C ATOM 729 C ASP B 232 3.380 10.184 -6.429 1.00 15.00 C ATOM 730 O ASP B 232 3.075 11.104 -5.670 1.00 15.00 O ATOM 731 CB ASP B 232 2.022 8.371 -5.358 1.00 15.00 C ATOM 732 CG ASP B 232 0.928 8.376 -6.408 1.00 15.00 C ATOM 733 OD1 ASP B 232 0.842 7.402 -7.188 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 0.146 9.348 -6.463 1.00 15.00 O ATOM 0 H ASP B 232 4.649 9.390 -4.386 1.00 15.00 H new ATOM 0 HA ASP B 232 3.599 8.084 -6.780 1.00 15.00 H new ATOM 0 HB2 ASP B 232 2.080 7.382 -4.903 1.00 15.00 H new ATOM 0 HB3 ASP B 232 1.763 9.073 -4.565 1.00 15.00 H new ATOM 739 N PRO B 233 3.753 10.403 -7.699 1.00 15.00 N ATOM 740 CA PRO B 233 3.785 11.739 -8.291 1.00 15.00 C ATOM 741 C PRO B 233 2.403 12.209 -8.742 1.00 15.00 C ATOM 742 O PRO B 233 2.093 12.239 -9.936 1.00 15.00 O ATOM 743 CB PRO B 233 4.723 11.561 -9.486 1.00 15.00 C ATOM 744 CG PRO B 233 4.559 10.136 -9.896 1.00 15.00 C ATOM 745 CD PRO B 233 4.185 9.364 -8.653 1.00 15.00 C ATOM 0 HA PRO B 233 4.115 12.500 -7.584 1.00 15.00 H new ATOM 0 HB2 PRO B 233 4.460 12.238 -10.299 1.00 15.00 H new ATOM 0 HB3 PRO B 233 5.756 11.777 -9.213 1.00 15.00 H new ATOM 0 HG2 PRO B 233 3.786 10.040 -10.658 1.00 15.00 H new ATOM 0 HG3 PRO B 233 5.482 9.749 -10.328 1.00 15.00 H new ATOM 0 HD2 PRO B 233 3.386 8.650 -8.853 1.00 15.00 H new ATOM 0 HD3 PRO B 233 5.031 8.796 -8.267 1.00 15.00 H new HETATM 753 N NH2 B 234 1.575 12.591 -7.783 1.00 15.00 N TER 756 NH2 B 234