USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 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= 0.783 K(o=2,f=-6.8!) USER MOD Set 1.2: B 211 TYR OH : rot 44:sc= 1.19 USER MOD Single : A 290 SER OG : rot 19:sc= 1.03 USER MOD Single : A 291 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 293 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= -0.0045 K(o=-0.0045,f=-0.79) USER MOD Single : A 303 ASN :FLIP amide:sc= -0.109 F(o=-2.4!,f=-0.11) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.29) USER MOD Single : A 309 THR OG1 : rot 145:sc= 0.877 USER MOD Single : A 314 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 206 SER OG : 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 Single : B 216 MET CE :methyl -156:sc= 0 (180deg=-0.781) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 14.774 8.127 -7.560 1.00 15.00 N ATOM 2 CA GLY A 280 13.870 8.999 -6.777 1.00 15.00 C ATOM 3 C GLY A 280 13.445 8.341 -5.485 1.00 15.00 C ATOM 4 O GLY A 280 13.526 7.119 -5.362 1.00 15.00 O ATOM 0 HA2 GLY A 280 14.372 9.942 -6.558 1.00 15.00 H new ATOM 0 HA3 GLY A 280 12.988 9.238 -7.372 1.00 15.00 H new ATOM 10 N PRO A 281 12.998 9.123 -4.491 1.00 15.00 N ATOM 11 CA PRO A 281 12.546 8.589 -3.214 1.00 15.00 C ATOM 12 C PRO A 281 11.148 7.994 -3.320 1.00 15.00 C ATOM 13 O PRO A 281 10.164 8.733 -3.400 1.00 15.00 O ATOM 14 CB PRO A 281 12.545 9.806 -2.274 1.00 15.00 C ATOM 15 CG PRO A 281 13.074 10.953 -3.080 1.00 15.00 C ATOM 16 CD PRO A 281 12.895 10.584 -4.524 1.00 15.00 C ATOM 0 HA PRO A 281 13.186 7.781 -2.861 1.00 15.00 H new ATOM 0 HB2 PRO A 281 11.539 10.016 -1.910 1.00 15.00 H new ATOM 0 HB3 PRO A 281 13.169 9.624 -1.399 1.00 15.00 H new ATOM 0 HG2 PRO A 281 12.536 11.871 -2.846 1.00 15.00 H new ATOM 0 HG3 PRO A 281 14.125 11.133 -2.854 1.00 15.00 H new ATOM 0 HD2 PRO A 281 11.931 10.915 -4.911 1.00 15.00 H new ATOM 0 HD3 PRO A 281 13.663 11.031 -5.156 1.00 15.00 H new ATOM 24 N LEU A 282 11.086 6.664 -3.359 1.00 15.00 N ATOM 25 CA LEU A 282 9.831 5.923 -3.499 1.00 15.00 C ATOM 26 C LEU A 282 9.211 6.143 -4.881 1.00 15.00 C ATOM 27 O LEU A 282 8.868 7.264 -5.254 1.00 15.00 O ATOM 28 CB LEU A 282 8.830 6.313 -2.401 1.00 15.00 C ATOM 29 CG LEU A 282 7.519 5.523 -2.397 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.777 4.061 -2.060 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.534 6.137 -1.414 1.00 15.00 C ATOM 0 H LEU A 282 11.909 6.066 -3.294 1.00 15.00 H new ATOM 0 HA LEU A 282 10.065 4.864 -3.391 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.313 6.188 -1.432 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.596 7.372 -2.506 1.00 15.00 H new ATOM 0 HG LEU A 282 7.083 5.570 -3.395 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.833 3.515 -2.062 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.447 3.629 -2.803 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.235 3.990 -1.073 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.607 5.564 -1.423 1.00 15.00 H new ATOM 0 HD22 LEU A 282 6.962 6.120 -0.412 1.00 15.00 H new ATOM 0 HD23 LEU A 282 6.327 7.167 -1.702 1.00 15.00 H new ATOM 43 N PRO A 283 9.077 5.064 -5.669 1.00 15.00 N ATOM 44 CA PRO A 283 8.436 5.125 -6.985 1.00 15.00 C ATOM 45 C PRO A 283 7.034 5.726 -6.903 1.00 15.00 C ATOM 46 O PRO A 283 6.217 5.286 -6.097 1.00 15.00 O ATOM 47 CB PRO A 283 8.364 3.658 -7.419 1.00 15.00 C ATOM 48 CG PRO A 283 9.441 2.976 -6.648 1.00 15.00 C ATOM 49 CD PRO A 283 9.544 3.705 -5.339 1.00 15.00 C ATOM 0 HA PRO A 283 8.986 5.757 -7.682 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.387 3.228 -7.198 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.521 3.556 -8.493 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.201 1.925 -6.490 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.387 3.009 -7.188 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.924 3.242 -4.571 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.567 3.712 -4.962 1.00 15.00 H new ATOM 57 N PRO A 284 6.732 6.725 -7.752 1.00 15.00 N ATOM 58 CA PRO A 284 5.456 7.460 -7.711 1.00 15.00 C ATOM 59 C PRO A 284 4.234 6.584 -7.997 1.00 15.00 C ATOM 60 O PRO A 284 3.094 7.041 -7.896 1.00 15.00 O ATOM 61 CB PRO A 284 5.614 8.522 -8.801 1.00 15.00 C ATOM 62 CG PRO A 284 6.680 7.997 -9.697 1.00 15.00 C ATOM 63 CD PRO A 284 7.617 7.226 -8.815 1.00 15.00 C ATOM 0 HA PRO A 284 5.272 7.865 -6.716 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.681 8.673 -9.344 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.895 9.486 -8.376 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.258 7.357 -10.472 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.200 8.810 -10.203 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.101 6.412 -9.354 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.409 7.860 -8.416 1.00 15.00 H new ATOM 71 N GLY A 285 4.475 5.337 -8.381 1.00 15.00 N ATOM 72 CA GLY A 285 3.389 4.397 -8.577 1.00 15.00 C ATOM 73 C GLY A 285 2.966 3.761 -7.268 1.00 15.00 C ATOM 74 O GLY A 285 1.865 3.219 -7.153 1.00 15.00 O ATOM 0 H GLY A 285 5.405 4.959 -8.561 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.538 4.910 -9.026 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.699 3.621 -9.277 1.00 15.00 H new ATOM 78 N TRP A 286 3.846 3.850 -6.278 1.00 15.00 N ATOM 79 CA TRP A 286 3.590 3.295 -4.961 1.00 15.00 C ATOM 80 C TRP A 286 2.971 4.336 -4.050 1.00 15.00 C ATOM 81 O TRP A 286 3.653 5.242 -3.572 1.00 15.00 O ATOM 82 CB TRP A 286 4.887 2.737 -4.345 1.00 15.00 C ATOM 83 CG TRP A 286 5.180 1.351 -4.817 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.400 0.959 -6.105 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.243 0.163 -4.015 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.575 -0.398 -6.163 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.479 -0.912 -4.897 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.117 -0.112 -2.641 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.578 -2.229 -4.462 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.213 -1.421 -2.222 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.433 -2.465 -3.126 1.00 15.00 C ATOM 0 H TRP A 286 4.753 4.308 -6.368 1.00 15.00 H new ATOM 0 HA TRP A 286 2.882 2.474 -5.070 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.721 3.391 -4.601 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.802 2.739 -3.258 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.432 1.623 -6.956 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.749 -0.938 -7.011 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.949 0.684 -1.931 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.763 -3.035 -5.156 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.116 -1.646 -1.170 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.489 -3.479 -2.759 1.00 15.00 H new ATOM 102 N GLU A 287 1.667 4.228 -3.840 1.00 15.00 N ATOM 103 CA GLU A 287 0.982 5.117 -2.929 1.00 15.00 C ATOM 104 C GLU A 287 1.001 4.497 -1.536 1.00 15.00 C ATOM 105 O GLU A 287 0.340 3.486 -1.270 1.00 15.00 O ATOM 106 CB GLU A 287 -0.442 5.388 -3.436 1.00 15.00 C ATOM 107 CG GLU A 287 -1.383 6.027 -2.422 1.00 15.00 C ATOM 108 CD GLU A 287 -0.954 7.416 -1.993 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.089 8.360 -2.797 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.497 7.577 -0.843 1.00 15.00 O ATOM 0 H GLU A 287 1.069 3.534 -4.289 1.00 15.00 H new ATOM 0 HA GLU A 287 1.486 6.082 -2.875 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.382 6.036 -4.310 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.878 4.445 -3.768 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.384 6.080 -2.850 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.446 5.387 -1.542 1.00 15.00 H new ATOM 117 N VAL A 288 1.826 5.076 -0.676 1.00 15.00 N ATOM 118 CA VAL A 288 2.069 4.527 0.644 1.00 15.00 C ATOM 119 C VAL A 288 1.131 5.146 1.676 1.00 15.00 C ATOM 120 O VAL A 288 1.246 6.320 2.041 1.00 15.00 O ATOM 121 CB VAL A 288 3.551 4.707 1.066 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.970 6.171 1.041 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.804 4.097 2.434 1.00 15.00 C ATOM 0 H VAL A 288 2.341 5.934 -0.874 1.00 15.00 H new ATOM 0 HA VAL A 288 1.864 3.457 0.599 1.00 15.00 H new ATOM 0 HB VAL A 288 4.164 4.178 0.336 1.00 15.00 H new ATOM 0 HG11 VAL A 288 5.014 6.256 1.343 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.850 6.567 0.032 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.346 6.740 1.730 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.850 4.236 2.707 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.168 4.585 3.173 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.576 3.032 2.405 1.00 15.00 H new ATOM 133 N ARG A 289 0.186 4.351 2.135 1.00 15.00 N ATOM 134 CA ARG A 289 -0.790 4.814 3.096 1.00 15.00 C ATOM 135 C ARG A 289 -0.747 3.947 4.342 1.00 15.00 C ATOM 136 O ARG A 289 -0.415 2.768 4.273 1.00 15.00 O ATOM 137 CB ARG A 289 -2.177 4.833 2.450 1.00 15.00 C ATOM 138 CG ARG A 289 -2.356 6.010 1.506 1.00 15.00 C ATOM 139 CD ARG A 289 -2.186 7.325 2.253 1.00 15.00 C ATOM 140 NE ARG A 289 -1.789 8.422 1.375 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.920 9.710 1.697 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.529 10.055 2.829 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.462 10.655 0.885 1.00 15.00 N ATOM 0 H ARG A 289 0.074 3.376 1.855 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.555 5.833 3.405 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.333 3.904 1.902 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.938 4.876 3.229 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.628 5.948 0.697 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.345 5.970 1.049 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.123 7.581 2.748 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.436 7.200 3.034 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.390 8.191 0.465 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.896 9.334 3.451 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.629 11.040 3.075 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.007 10.398 0.009 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.565 11.638 1.137 1.00 15.00 H new ATOM 157 N SER A 290 -1.071 4.537 5.482 1.00 15.00 N ATOM 158 CA SER A 290 -0.963 3.843 6.753 1.00 15.00 C ATOM 159 C SER A 290 -2.211 4.087 7.601 1.00 15.00 C ATOM 160 O SER A 290 -2.684 5.218 7.711 1.00 15.00 O ATOM 161 CB SER A 290 0.291 4.329 7.491 1.00 15.00 C ATOM 162 OG SER A 290 0.602 3.503 8.603 1.00 15.00 O ATOM 0 H SER A 290 -1.411 5.496 5.552 1.00 15.00 H new ATOM 0 HA SER A 290 -0.881 2.771 6.573 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.135 4.344 6.802 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.139 5.353 7.831 1.00 15.00 H new ATOM 0 HG SER A 290 0.151 2.639 8.505 1.00 15.00 H new ATOM 168 N THR A 291 -2.727 3.025 8.204 1.00 15.00 N ATOM 169 CA THR A 291 -3.886 3.125 9.073 1.00 15.00 C ATOM 170 C THR A 291 -3.451 3.385 10.514 1.00 15.00 C ATOM 171 O THR A 291 -2.366 2.967 10.927 1.00 15.00 O ATOM 172 CB THR A 291 -4.742 1.838 9.012 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.894 0.681 9.035 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.615 1.814 7.761 1.00 15.00 C ATOM 0 H THR A 291 -2.357 2.080 8.105 1.00 15.00 H new ATOM 0 HA THR A 291 -4.492 3.961 8.724 1.00 15.00 H new ATOM 0 HB THR A 291 -5.395 1.827 9.885 1.00 15.00 H new ATOM 0 HG1 THR A 291 -4.445 -0.129 8.998 1.00 15.00 H new ATOM 0 HG21 THR A 291 -6.205 0.897 7.746 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.283 2.675 7.767 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.982 1.852 6.875 1.00 15.00 H new ATOM 182 N VAL A 292 -4.303 4.081 11.268 1.00 15.00 N ATOM 183 CA VAL A 292 -4.014 4.435 12.663 1.00 15.00 C ATOM 184 C VAL A 292 -3.804 3.177 13.516 1.00 15.00 C ATOM 185 O VAL A 292 -3.259 3.237 14.621 1.00 15.00 O ATOM 186 CB VAL A 292 -5.160 5.287 13.270 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.806 5.781 14.664 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.495 6.463 12.365 1.00 15.00 C ATOM 0 H VAL A 292 -5.207 4.414 10.934 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.096 5.023 12.667 1.00 15.00 H new ATOM 0 HB VAL A 292 -6.038 4.646 13.351 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.630 6.374 15.060 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.626 4.928 15.318 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -3.907 6.396 14.615 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.301 7.047 12.810 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.614 7.093 12.246 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.811 6.093 11.390 1.00 15.00 H new ATOM 198 N SER A 293 -4.217 2.037 12.974 1.00 15.00 N ATOM 199 CA SER A 293 -4.038 0.744 13.617 1.00 15.00 C ATOM 200 C SER A 293 -2.553 0.419 13.826 1.00 15.00 C ATOM 201 O SER A 293 -2.210 -0.499 14.568 1.00 15.00 O ATOM 202 CB SER A 293 -4.690 -0.338 12.757 1.00 15.00 C ATOM 203 OG SER A 293 -5.908 0.133 12.201 1.00 15.00 O ATOM 0 H SER A 293 -4.688 1.985 12.071 1.00 15.00 H new ATOM 0 HA SER A 293 -4.511 0.779 14.599 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.010 -0.634 11.958 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.879 -1.226 13.361 1.00 15.00 H new ATOM 0 HG SER A 293 -6.311 -0.572 11.652 1.00 15.00 H new ATOM 209 N GLY A 294 -1.683 1.160 13.146 1.00 15.00 N ATOM 210 CA GLY A 294 -0.264 0.881 13.206 1.00 15.00 C ATOM 211 C GLY A 294 0.146 -0.088 12.121 1.00 15.00 C ATOM 212 O GLY A 294 0.969 -0.980 12.336 1.00 15.00 O ATOM 0 H GLY A 294 -1.939 1.950 12.554 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.297 1.809 13.100 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.013 0.466 14.182 1.00 15.00 H new ATOM 216 N ARG A 295 -0.440 0.095 10.951 1.00 15.00 N ATOM 217 CA ARG A 295 -0.192 -0.773 9.814 1.00 15.00 C ATOM 218 C ARG A 295 0.064 0.051 8.562 1.00 15.00 C ATOM 219 O ARG A 295 -0.664 1.003 8.279 1.00 15.00 O ATOM 220 CB ARG A 295 -1.403 -1.678 9.579 1.00 15.00 C ATOM 221 CG ARG A 295 -1.384 -2.980 10.366 1.00 15.00 C ATOM 222 CD ARG A 295 -0.495 -4.019 9.692 1.00 15.00 C ATOM 223 NE ARG A 295 -0.448 -5.277 10.436 1.00 15.00 N ATOM 224 CZ ARG A 295 0.147 -6.379 9.986 1.00 15.00 C ATOM 225 NH1 ARG A 295 0.805 -6.358 8.835 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 0.095 -7.500 10.694 1.00 15.00 N ATOM 0 H ARG A 295 -1.101 0.849 10.763 1.00 15.00 H new ATOM 0 HA ARG A 295 0.687 -1.380 10.029 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -2.307 -1.127 9.836 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.464 -1.912 8.516 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -1.025 -2.791 11.378 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.398 -3.369 10.456 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -0.863 -4.209 8.684 1.00 15.00 H new ATOM 0 HD3 ARG A 295 0.515 -3.620 9.593 1.00 15.00 H new ATOM 0 HE ARG A 295 -0.897 -5.312 11.351 1.00 15.00 H new ATOM 0 HH11 ARG A 295 0.856 -5.496 8.292 1.00 15.00 H new ATOM 0 HH12 ARG A 295 1.260 -7.204 8.492 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -0.402 -7.518 11.585 1.00 15.00 H new ATOM 0 HH22 ARG A 295 0.552 -8.344 10.347 1.00 15.00 H new ATOM 240 N ILE A 296 1.096 -0.316 7.816 1.00 15.00 N ATOM 241 CA ILE A 296 1.316 0.261 6.501 1.00 15.00 C ATOM 242 C ILE A 296 0.585 -0.594 5.480 1.00 15.00 C ATOM 243 O ILE A 296 0.485 -1.807 5.654 1.00 15.00 O ATOM 244 CB ILE A 296 2.821 0.346 6.141 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.016 1.123 4.835 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.442 -1.045 6.027 1.00 15.00 C ATOM 247 CD1 ILE A 296 4.464 1.250 4.414 1.00 15.00 C ATOM 0 H ILE A 296 1.790 -1.008 8.099 1.00 15.00 H new ATOM 0 HA ILE A 296 0.934 1.282 6.500 1.00 15.00 H new ATOM 0 HB ILE A 296 3.328 0.877 6.946 1.00 15.00 H new ATOM 0 HG12 ILE A 296 2.458 0.627 4.041 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.591 2.120 4.949 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.498 -0.952 5.774 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.342 -1.567 6.978 1.00 15.00 H new ATOM 0 HG23 ILE A 296 2.930 -1.609 5.248 1.00 15.00 H new ATOM 0 HD11 ILE A 296 4.524 1.812 3.482 1.00 15.00 H new ATOM 0 HD12 ILE A 296 5.024 1.773 5.189 1.00 15.00 H new ATOM 0 HD13 ILE A 296 4.889 0.257 4.267 1.00 15.00 H new ATOM 259 N TYR A 297 0.065 0.015 4.431 1.00 15.00 N ATOM 260 CA TYR A 297 -0.746 -0.720 3.485 1.00 15.00 C ATOM 261 C TYR A 297 -0.609 -0.108 2.119 1.00 15.00 C ATOM 262 O TYR A 297 -0.789 1.098 1.926 1.00 15.00 O ATOM 263 CB TYR A 297 -2.222 -0.811 3.924 1.00 15.00 C ATOM 264 CG TYR A 297 -3.045 0.458 3.796 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.109 1.377 4.835 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.785 0.716 2.645 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.884 2.517 4.729 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.558 1.855 2.534 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.604 2.751 3.578 1.00 15.00 C ATOM 270 OH TYR A 297 -5.373 3.889 3.470 1.00 15.00 O ATOM 0 H TYR A 297 0.188 1.004 4.216 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.380 -1.746 3.449 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.705 -1.592 3.337 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -2.249 -1.132 4.965 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.545 1.199 5.739 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.754 0.014 1.825 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.925 3.222 5.546 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -5.123 2.042 1.633 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.815 3.903 2.596 1.00 15.00 H new ATOM 280 N PHE A 298 -0.252 -0.936 1.177 1.00 15.00 N ATOM 281 CA PHE A 298 0.009 -0.475 -0.148 1.00 15.00 C ATOM 282 C PHE A 298 -1.144 -0.568 -1.091 1.00 15.00 C ATOM 283 O PHE A 298 -1.904 -1.535 -1.108 1.00 15.00 O ATOM 284 CB PHE A 298 1.194 -1.192 -0.717 1.00 15.00 C ATOM 285 CG PHE A 298 2.417 -0.445 -0.409 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.546 0.834 -0.908 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.427 -0.989 0.354 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.665 1.565 -0.659 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.564 -0.262 0.597 1.00 15.00 C ATOM 290 CZ PHE A 298 4.674 1.015 0.085 1.00 15.00 C ATOM 0 H PHE A 298 -0.136 -1.941 1.309 1.00 15.00 H new ATOM 0 HA PHE A 298 0.211 0.591 -0.045 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.256 -2.198 -0.302 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.083 -1.299 -1.796 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.751 1.259 -1.502 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.324 -1.985 0.759 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.757 2.570 -1.044 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.366 -0.685 1.184 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.569 1.589 0.274 1.00 15.00 H new ATOM 300 N VAL A 299 -1.208 0.455 -1.912 1.00 15.00 N ATOM 301 CA VAL A 299 -2.104 0.499 -3.031 1.00 15.00 C ATOM 302 C VAL A 299 -1.315 1.004 -4.242 1.00 15.00 C ATOM 303 O VAL A 299 -0.996 2.192 -4.377 1.00 15.00 O ATOM 304 CB VAL A 299 -3.381 1.346 -2.745 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.200 0.723 -1.620 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.045 2.783 -2.389 1.00 15.00 C ATOM 0 H VAL A 299 -0.629 1.289 -1.815 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.485 -0.501 -3.236 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.967 1.352 -3.664 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.087 1.330 -1.436 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.502 -0.285 -1.905 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.597 0.678 -0.713 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.965 3.335 -2.198 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.420 2.800 -1.496 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.509 3.247 -3.217 1.00 15.00 H new ATOM 316 N ASP A 300 -0.898 0.055 -5.061 1.00 15.00 N ATOM 317 CA ASP A 300 -0.097 0.353 -6.238 1.00 15.00 C ATOM 318 C ASP A 300 -0.986 0.478 -7.460 1.00 15.00 C ATOM 319 O ASP A 300 -1.807 -0.400 -7.734 1.00 15.00 O ATOM 320 CB ASP A 300 0.970 -0.725 -6.455 1.00 15.00 C ATOM 321 CG ASP A 300 1.389 -0.842 -7.909 1.00 15.00 C ATOM 322 OD1 ASP A 300 2.019 0.097 -8.434 1.00 15.00 O ATOM 323 OD2 ASP A 300 1.068 -1.870 -8.537 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.102 -0.936 -4.932 1.00 15.00 H new ATOM 0 HA ASP A 300 0.410 1.304 -6.079 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.844 -0.495 -5.846 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.586 -1.686 -6.112 1.00 15.00 H new ATOM 328 N HIS A 301 -0.796 1.566 -8.196 1.00 15.00 N ATOM 329 CA HIS A 301 -1.632 1.884 -9.350 1.00 15.00 C ATOM 330 C HIS A 301 -1.290 1.032 -10.566 1.00 15.00 C ATOM 331 O HIS A 301 -2.056 0.990 -11.531 1.00 15.00 O ATOM 332 CB HIS A 301 -1.487 3.355 -9.740 1.00 15.00 C ATOM 333 CG HIS A 301 -2.339 4.307 -8.961 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.717 4.302 -9.024 1.00 15.00 N ATOM 335 CD2 HIS A 301 -2.003 5.356 -8.173 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.188 5.325 -8.327 1.00 15.00 C ATOM 337 NE2 HIS A 301 -3.168 5.974 -7.798 1.00 15.00 N ATOM 0 H HIS A 301 -0.062 2.250 -8.012 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.657 1.671 -9.048 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.443 3.645 -9.620 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.727 3.459 -10.798 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.283 3.619 -9.527 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -1.003 5.651 -7.892 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.230 5.584 -8.211 1.00 15.00 H new ATOM 346 N ASN A 302 -0.138 0.383 -10.541 1.00 15.00 N ATOM 347 CA ASN A 302 0.317 -0.392 -11.688 1.00 15.00 C ATOM 348 C ASN A 302 -0.386 -1.740 -11.748 1.00 15.00 C ATOM 349 O ASN A 302 -0.961 -2.109 -12.773 1.00 15.00 O ATOM 350 CB ASN A 302 1.832 -0.590 -11.640 1.00 15.00 C ATOM 351 CG ASN A 302 2.595 0.699 -11.868 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.173 1.558 -12.644 1.00 15.00 O ATOM 353 ND2 ASN A 302 3.716 0.853 -11.182 1.00 15.00 N ATOM 0 H ASN A 302 0.498 0.376 -9.744 1.00 15.00 H new ATOM 0 HA ASN A 302 0.066 0.167 -12.589 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.110 -1.006 -10.672 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.124 -1.319 -12.396 1.00 15.00 H new ATOM 0 HD21 ASN A 302 4.264 1.707 -11.286 1.00 15.00 H new ATOM 0 HD22 ASN A 302 4.032 0.118 -10.549 1.00 15.00 H new ATOM 360 N ASN A 303 -0.320 -2.474 -10.650 1.00 15.00 N ATOM 361 CA ASN A 303 -0.948 -3.788 -10.558 1.00 15.00 C ATOM 362 C ASN A 303 -2.335 -3.690 -9.931 1.00 15.00 C ATOM 363 O ASN A 303 -3.109 -4.647 -9.987 1.00 15.00 O ATOM 364 CB ASN A 303 -0.090 -4.766 -9.743 1.00 15.00 C ATOM 365 CG ASN A 303 1.203 -5.174 -10.433 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.825 -4.256 -11.160 1.00 15.00 O flip ATOM 367 ND2 ASN A 303 1.655 -6.310 -10.290 1.00 15.00 N flip ATOM 0 H ASN A 303 0.165 -2.182 -9.802 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.041 -4.167 -11.576 1.00 15.00 H new ATOM 0 HB2 ASN A 303 0.150 -4.310 -8.783 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.676 -5.661 -9.533 1.00 15.00 H new ATOM 0 HD21 ASN A 303 1.151 -6.992 -9.724 1.00 15.00 H new ATOM 0 HD22 ASN A 303 2.534 -6.569 -10.738 1.00 15.00 H new ATOM 374 N ARG A 304 -2.620 -2.542 -9.305 1.00 15.00 N ATOM 375 CA ARG A 304 -3.857 -2.339 -8.540 1.00 15.00 C ATOM 376 C ARG A 304 -3.828 -3.250 -7.321 1.00 15.00 C ATOM 377 O ARG A 304 -4.858 -3.744 -6.863 1.00 15.00 O ATOM 378 CB ARG A 304 -5.102 -2.630 -9.388 1.00 15.00 C ATOM 379 CG ARG A 304 -5.081 -1.990 -10.768 1.00 15.00 C ATOM 380 CD ARG A 304 -6.170 -2.565 -11.654 1.00 15.00 C ATOM 381 NE ARG A 304 -6.084 -4.024 -11.732 1.00 15.00 N ATOM 382 CZ ARG A 304 -6.852 -4.783 -12.511 1.00 15.00 C ATOM 383 NH1 ARG A 304 -7.724 -4.232 -13.341 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.730 -6.102 -12.465 1.00 15.00 N ATOM 0 H ARG A 304 -2.003 -1.730 -9.314 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.913 -1.295 -8.233 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.206 -3.709 -9.502 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.983 -2.280 -8.851 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.215 -0.912 -10.674 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.108 -2.151 -11.232 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.147 -2.277 -11.265 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.088 -2.141 -12.655 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.389 -4.491 -11.150 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -7.812 -3.217 -13.388 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -8.308 -4.823 -13.933 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.051 -6.530 -11.835 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.315 -6.689 -13.059 1.00 15.00 H new ATOM 398 N THR A 305 -2.634 -3.417 -6.773 1.00 15.00 N ATOM 399 CA THR A 305 -2.395 -4.431 -5.756 1.00 15.00 C ATOM 400 C THR A 305 -2.364 -3.829 -4.353 1.00 15.00 C ATOM 401 O THR A 305 -2.005 -2.663 -4.168 1.00 15.00 O ATOM 402 CB THR A 305 -1.080 -5.198 -6.033 1.00 15.00 C ATOM 403 OG1 THR A 305 -0.931 -6.278 -5.105 1.00 15.00 O ATOM 404 CG2 THR A 305 0.129 -4.277 -5.940 1.00 15.00 C ATOM 0 H THR A 305 -1.813 -2.862 -7.016 1.00 15.00 H new ATOM 0 HA THR A 305 -3.228 -5.133 -5.805 1.00 15.00 H new ATOM 0 HB THR A 305 -1.135 -5.593 -7.047 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.096 -6.757 -5.291 1.00 15.00 H new ATOM 0 HG21 THR A 305 1.037 -4.847 -6.140 1.00 15.00 H new ATOM 0 HG22 THR A 305 0.034 -3.477 -6.674 1.00 15.00 H new ATOM 0 HG23 THR A 305 0.183 -3.847 -4.940 1.00 15.00 H new ATOM 412 N THR A 306 -2.767 -4.632 -3.378 1.00 15.00 N ATOM 413 CA THR A 306 -2.767 -4.222 -1.986 1.00 15.00 C ATOM 414 C THR A 306 -1.837 -5.117 -1.169 1.00 15.00 C ATOM 415 O THR A 306 -2.082 -6.313 -1.020 1.00 15.00 O ATOM 416 CB THR A 306 -4.190 -4.275 -1.401 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.069 -3.477 -2.206 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.211 -3.771 0.035 1.00 15.00 C ATOM 0 H THR A 306 -3.102 -5.583 -3.532 1.00 15.00 H new ATOM 0 HA THR A 306 -2.408 -3.194 -1.935 1.00 15.00 H new ATOM 0 HB THR A 306 -4.525 -5.312 -1.404 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.975 -3.512 -1.834 1.00 15.00 H new ATOM 0 HG21 THR A 306 -5.229 -3.820 0.423 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.559 -4.393 0.648 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.861 -2.739 0.064 1.00 15.00 H new ATOM 426 N GLN A 307 -0.767 -4.534 -0.649 1.00 15.00 N ATOM 427 CA GLN A 307 0.237 -5.292 0.086 1.00 15.00 C ATOM 428 C GLN A 307 0.411 -4.755 1.498 1.00 15.00 C ATOM 429 O GLN A 307 0.579 -3.555 1.696 1.00 15.00 O ATOM 430 CB GLN A 307 1.579 -5.238 -0.644 1.00 15.00 C ATOM 431 CG GLN A 307 1.635 -6.101 -1.888 1.00 15.00 C ATOM 432 CD GLN A 307 1.534 -7.580 -1.571 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.443 -8.148 -1.528 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.674 -8.212 -1.333 1.00 15.00 N ATOM 0 H GLN A 307 -0.571 -3.536 -0.722 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.107 -6.324 0.147 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.790 -4.205 -0.920 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.367 -5.552 0.040 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.823 -5.820 -2.559 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.568 -5.909 -2.418 1.00 15.00 H new ATOM 0 HE21 GLN A 307 3.558 -7.705 -1.379 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.668 -9.206 -1.104 1.00 15.00 H new ATOM 443 N PHE A 308 0.382 -5.651 2.473 1.00 15.00 N ATOM 444 CA PHE A 308 0.673 -5.288 3.857 1.00 15.00 C ATOM 445 C PHE A 308 2.171 -5.365 4.114 1.00 15.00 C ATOM 446 O PHE A 308 2.661 -4.956 5.166 1.00 15.00 O ATOM 447 CB PHE A 308 -0.056 -6.215 4.832 1.00 15.00 C ATOM 448 CG PHE A 308 -1.174 -5.550 5.589 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.209 -4.178 5.749 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.181 -6.306 6.153 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.230 -3.575 6.459 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.204 -5.710 6.859 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.231 -4.344 7.014 1.00 15.00 C ATOM 0 H PHE A 308 0.160 -6.637 2.334 1.00 15.00 H new ATOM 0 HA PHE A 308 0.325 -4.267 4.017 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.460 -7.063 4.278 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.665 -6.614 5.545 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.430 -3.570 5.314 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.168 -7.380 6.040 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.244 -2.502 6.579 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.986 -6.317 7.291 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.032 -3.876 7.567 1.00 15.00 H new ATOM 463 N THR A 309 2.883 -5.923 3.150 1.00 15.00 N ATOM 464 CA THR A 309 4.314 -6.115 3.263 1.00 15.00 C ATOM 465 C THR A 309 5.071 -5.033 2.491 1.00 15.00 C ATOM 466 O THR A 309 4.955 -4.930 1.266 1.00 15.00 O ATOM 467 CB THR A 309 4.714 -7.509 2.742 1.00 15.00 C ATOM 468 OG1 THR A 309 3.972 -8.518 3.447 1.00 15.00 O ATOM 469 CG2 THR A 309 6.205 -7.750 2.918 1.00 15.00 C ATOM 0 H THR A 309 2.485 -6.254 2.271 1.00 15.00 H new ATOM 0 HA THR A 309 4.581 -6.041 4.317 1.00 15.00 H new ATOM 0 HB THR A 309 4.483 -7.559 1.678 1.00 15.00 H new ATOM 0 HG1 THR A 309 3.759 -9.254 2.836 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.460 -8.741 2.542 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.763 -6.996 2.363 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.462 -7.686 3.975 1.00 15.00 H new ATOM 477 N ASP A 310 5.824 -4.220 3.224 1.00 15.00 N ATOM 478 CA ASP A 310 6.633 -3.160 2.630 1.00 15.00 C ATOM 479 C ASP A 310 7.994 -3.712 2.202 1.00 15.00 C ATOM 480 O ASP A 310 8.715 -4.309 3.003 1.00 15.00 O ATOM 481 CB ASP A 310 6.807 -2.012 3.635 1.00 15.00 C ATOM 482 CG ASP A 310 7.660 -0.874 3.102 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.889 -1.031 3.044 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 7.105 0.188 2.762 1.00 15.00 O ATOM 0 H ASP A 310 5.891 -4.276 4.240 1.00 15.00 H new ATOM 0 HA ASP A 310 6.125 -2.776 1.745 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.825 -1.625 3.908 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.261 -2.401 4.546 1.00 15.00 H new ATOM 489 N PRO A 311 8.364 -3.513 0.928 1.00 15.00 N ATOM 490 CA PRO A 311 9.604 -4.052 0.358 1.00 15.00 C ATOM 491 C PRO A 311 10.846 -3.247 0.742 1.00 15.00 C ATOM 492 O PRO A 311 11.977 -3.691 0.547 1.00 15.00 O ATOM 493 CB PRO A 311 9.348 -3.957 -1.143 1.00 15.00 C ATOM 494 CG PRO A 311 8.479 -2.758 -1.287 1.00 15.00 C ATOM 495 CD PRO A 311 7.595 -2.742 -0.068 1.00 15.00 C ATOM 0 HA PRO A 311 9.815 -5.058 0.720 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.278 -3.844 -1.700 1.00 15.00 H new ATOM 0 HB3 PRO A 311 8.857 -4.853 -1.521 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.076 -1.848 -1.349 1.00 15.00 H new ATOM 0 HG3 PRO A 311 7.885 -2.813 -2.200 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.402 -1.725 0.274 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.627 -3.200 -0.269 1.00 15.00 H new ATOM 503 N ARG A 312 10.624 -2.047 1.253 1.00 15.00 N ATOM 504 CA ARG A 312 11.703 -1.139 1.614 1.00 15.00 C ATOM 505 C ARG A 312 12.223 -1.457 3.013 1.00 15.00 C ATOM 506 O ARG A 312 13.401 -1.266 3.313 1.00 15.00 O ATOM 507 CB ARG A 312 11.192 0.305 1.537 1.00 15.00 C ATOM 508 CG ARG A 312 11.882 1.274 2.482 1.00 15.00 C ATOM 509 CD ARG A 312 10.970 2.441 2.813 1.00 15.00 C ATOM 510 NE ARG A 312 9.651 1.987 3.264 1.00 15.00 N ATOM 511 CZ ARG A 312 9.001 2.483 4.314 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.564 3.417 5.074 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.789 2.029 4.606 1.00 15.00 N ATOM 0 H ARG A 312 9.691 -1.674 1.430 1.00 15.00 H new ATOM 0 HA ARG A 312 12.531 -1.262 0.916 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.315 0.665 0.516 1.00 15.00 H new ATOM 0 HB3 ARG A 312 10.123 0.310 1.750 1.00 15.00 H new ATOM 0 HG2 ARG A 312 12.166 0.756 3.398 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.801 1.642 2.026 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.429 3.053 3.589 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.856 3.075 1.933 1.00 15.00 H new ATOM 0 HE ARG A 312 9.200 1.239 2.737 1.00 15.00 H new ATOM 0 HH11 ARG A 312 10.500 3.758 4.854 1.00 15.00 H new ATOM 0 HH12 ARG A 312 9.060 3.793 5.877 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.362 1.305 4.027 1.00 15.00 H new ATOM 0 HH22 ARG A 312 7.284 2.404 5.409 1.00 15.00 H new ATOM 527 N LEU A 313 11.325 -1.925 3.867 1.00 15.00 N ATOM 528 CA LEU A 313 11.668 -2.265 5.241 1.00 15.00 C ATOM 529 C LEU A 313 12.420 -3.593 5.306 1.00 15.00 C ATOM 530 O LEU A 313 12.952 -3.967 6.350 1.00 15.00 O ATOM 531 CB LEU A 313 10.397 -2.325 6.097 1.00 15.00 C ATOM 532 CG LEU A 313 10.612 -2.569 7.594 1.00 15.00 C ATOM 533 CD1 LEU A 313 11.398 -1.427 8.217 1.00 15.00 C ATOM 534 CD2 LEU A 313 9.279 -2.745 8.305 1.00 15.00 C ATOM 0 H LEU A 313 10.345 -2.079 3.630 1.00 15.00 H new ATOM 0 HA LEU A 313 12.325 -1.490 5.635 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.855 -1.387 5.975 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.756 -3.116 5.708 1.00 15.00 H new ATOM 0 HG LEU A 313 11.189 -3.487 7.709 1.00 15.00 H new ATOM 0 HD11 LEU A 313 11.540 -1.620 9.280 1.00 15.00 H new ATOM 0 HD12 LEU A 313 12.370 -1.346 7.730 1.00 15.00 H new ATOM 0 HD13 LEU A 313 10.849 -0.494 8.088 1.00 15.00 H new ATOM 0 HD21 LEU A 313 9.453 -2.917 9.367 1.00 15.00 H new ATOM 0 HD22 LEU A 313 8.677 -1.845 8.177 1.00 15.00 H new ATOM 0 HD23 LEU A 313 8.750 -3.599 7.881 1.00 15.00 H new ATOM 546 N HIS A 314 12.459 -4.306 4.192 1.00 15.00 N ATOM 547 CA HIS A 314 13.107 -5.606 4.144 1.00 15.00 C ATOM 548 C HIS A 314 14.597 -5.450 3.826 1.00 15.00 C ATOM 549 O HIS A 314 14.966 -5.510 2.637 1.00 15.00 O ATOM 550 CB HIS A 314 12.417 -6.495 3.101 1.00 15.00 C ATOM 551 CG HIS A 314 12.949 -7.893 3.042 1.00 15.00 C ATOM 552 ND1 HIS A 314 12.476 -8.917 3.834 1.00 15.00 N ATOM 553 CD2 HIS A 314 13.924 -8.435 2.278 1.00 15.00 C ATOM 554 CE1 HIS A 314 13.137 -10.022 3.559 1.00 15.00 C ATOM 555 NE2 HIS A 314 14.022 -9.760 2.619 1.00 15.00 N ATOM 556 OXT HIS A 314 15.394 -5.268 4.772 1.00 15.00 O ATOM 0 H HIS A 314 12.049 -4.006 3.308 1.00 15.00 H new ATOM 0 HA HIS A 314 13.019 -6.082 5.120 1.00 15.00 H new ATOM 0 HB2 HIS A 314 11.350 -6.533 3.320 1.00 15.00 H new ATOM 0 HB3 HIS A 314 12.525 -6.035 2.119 1.00 15.00 H new ATOM 0 HD2 HIS A 314 14.516 -7.920 1.536 1.00 15.00 H new ATOM 0 HE1 HIS A 314 12.980 -10.983 4.026 1.00 15.00 H new ATOM 0 HE2 HIS A 314 14.673 -10.432 2.212 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.776 -14.024 3.578 1.00 15.00 N ATOM 567 CA GLU B 203 1.333 -12.872 4.398 1.00 15.00 C ATOM 568 C GLU B 203 0.794 -13.340 5.745 1.00 15.00 C ATOM 569 O GLU B 203 1.420 -13.101 6.779 1.00 15.00 O ATOM 570 CB GLU B 203 0.261 -12.060 3.661 1.00 15.00 C ATOM 571 CG GLU B 203 0.812 -10.888 2.860 1.00 15.00 C ATOM 572 CD GLU B 203 1.935 -11.288 1.926 1.00 15.00 C ATOM 573 OE1 GLU B 203 1.669 -12.023 0.957 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 3.092 -10.887 2.171 1.00 15.00 O ATOM 0 HA GLU B 203 2.200 -12.234 4.571 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -0.283 -12.723 2.988 1.00 15.00 H new ATOM 0 HB3 GLU B 203 -0.458 -11.683 4.388 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.005 -10.440 2.279 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.173 -10.123 3.547 1.00 15.00 H new ATOM 583 N LEU B 204 -0.360 -14.016 5.722 1.00 15.00 N ATOM 584 CA LEU B 204 -1.027 -14.480 6.943 1.00 15.00 C ATOM 585 C LEU B 204 -1.441 -13.294 7.808 1.00 15.00 C ATOM 586 O LEU B 204 -1.692 -13.430 9.003 1.00 15.00 O ATOM 587 CB LEU B 204 -0.112 -15.426 7.731 1.00 15.00 C ATOM 588 CG LEU B 204 0.281 -16.711 6.995 1.00 15.00 C ATOM 589 CD1 LEU B 204 1.212 -17.555 7.848 1.00 15.00 C ATOM 590 CD2 LEU B 204 -0.957 -17.508 6.618 1.00 15.00 C ATOM 0 H LEU B 204 -0.855 -14.255 4.863 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.924 -15.029 6.657 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.797 -14.887 8.000 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.610 -15.697 8.662 1.00 15.00 H new ATOM 0 HG LEU B 204 0.808 -16.433 6.082 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.479 -18.463 7.307 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.115 -16.987 8.072 1.00 15.00 H new ATOM 0 HD13 LEU B 204 0.711 -17.822 8.779 1.00 15.00 H new ATOM 0 HD21 LEU B 204 -0.659 -18.417 6.096 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -1.509 -17.772 7.520 1.00 15.00 H new ATOM 0 HD23 LEU B 204 -1.592 -16.907 5.967 1.00 15.00 H new ATOM 602 N GLU B 205 -1.553 -12.139 7.169 1.00 15.00 N ATOM 603 CA GLU B 205 -1.900 -10.902 7.846 1.00 15.00 C ATOM 604 C GLU B 205 -3.412 -10.715 7.855 1.00 15.00 C ATOM 605 O GLU B 205 -4.110 -11.230 6.975 1.00 15.00 O ATOM 606 CB GLU B 205 -1.246 -9.723 7.116 1.00 15.00 C ATOM 607 CG GLU B 205 0.264 -9.839 6.963 1.00 15.00 C ATOM 608 CD GLU B 205 1.021 -9.483 8.225 1.00 15.00 C ATOM 609 OE1 GLU B 205 0.706 -10.031 9.299 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 1.922 -8.624 8.151 1.00 15.00 O ATOM 0 H GLU B 205 -1.405 -12.035 6.165 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.541 -10.946 8.874 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.693 -9.631 6.126 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -1.475 -8.804 7.656 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.516 -10.859 6.672 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.592 -9.186 6.154 1.00 15.00 H new ATOM 617 N SER B 206 -3.906 -9.980 8.845 1.00 15.00 N ATOM 618 CA SER B 206 -5.303 -9.568 8.873 1.00 15.00 C ATOM 619 C SER B 206 -5.643 -8.830 7.578 1.00 15.00 C ATOM 620 O SER B 206 -4.807 -8.099 7.054 1.00 15.00 O ATOM 621 CB SER B 206 -5.543 -8.663 10.085 1.00 15.00 C ATOM 622 OG SER B 206 -5.226 -9.340 11.290 1.00 15.00 O ATOM 0 H SER B 206 -3.357 -9.657 9.641 1.00 15.00 H new ATOM 0 HA SER B 206 -5.946 -10.444 8.956 1.00 15.00 H new ATOM 0 HB2 SER B 206 -4.935 -7.762 9.998 1.00 15.00 H new ATOM 0 HB3 SER B 206 -6.585 -8.344 10.105 1.00 15.00 H new ATOM 0 HG SER B 206 -5.385 -8.744 12.052 1.00 15.00 H new ATOM 628 N PRO B 207 -6.865 -9.012 7.049 1.00 15.00 N ATOM 629 CA PRO B 207 -7.273 -8.438 5.762 1.00 15.00 C ATOM 630 C PRO B 207 -6.960 -6.944 5.641 1.00 15.00 C ATOM 631 O PRO B 207 -7.435 -6.127 6.440 1.00 15.00 O ATOM 632 CB PRO B 207 -8.790 -8.672 5.714 1.00 15.00 C ATOM 633 CG PRO B 207 -9.175 -9.152 7.075 1.00 15.00 C ATOM 634 CD PRO B 207 -7.949 -9.788 7.657 1.00 15.00 C ATOM 0 HA PRO B 207 -6.730 -8.902 4.938 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.319 -7.753 5.460 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.047 -9.409 4.953 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.517 -8.325 7.697 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.995 -9.868 7.018 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -7.935 -9.720 8.745 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.882 -10.846 7.403 1.00 15.00 H new ATOM 642 N PRO B 208 -6.133 -6.586 4.646 1.00 15.00 N ATOM 643 CA PRO B 208 -5.784 -5.190 4.343 1.00 15.00 C ATOM 644 C PRO B 208 -6.955 -4.413 3.728 1.00 15.00 C ATOM 645 O PRO B 208 -7.922 -5.013 3.250 1.00 15.00 O ATOM 646 CB PRO B 208 -4.647 -5.330 3.320 1.00 15.00 C ATOM 647 CG PRO B 208 -4.867 -6.655 2.685 1.00 15.00 C ATOM 648 CD PRO B 208 -5.432 -7.533 3.763 1.00 15.00 C ATOM 0 HA PRO B 208 -5.513 -4.634 5.240 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.678 -4.528 2.582 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.672 -5.281 3.804 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.555 -6.576 1.843 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.934 -7.063 2.297 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.112 -8.281 3.356 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.647 -8.072 4.294 1.00 15.00 H new ATOM 656 N PRO B 209 -6.866 -3.068 3.709 1.00 15.00 N ATOM 657 CA PRO B 209 -7.893 -2.209 3.110 1.00 15.00 C ATOM 658 C PRO B 209 -7.934 -2.362 1.587 1.00 15.00 C ATOM 659 O PRO B 209 -6.895 -2.299 0.929 1.00 15.00 O ATOM 660 CB PRO B 209 -7.455 -0.781 3.491 1.00 15.00 C ATOM 661 CG PRO B 209 -6.368 -0.940 4.497 1.00 15.00 C ATOM 662 CD PRO B 209 -5.751 -2.282 4.249 1.00 15.00 C ATOM 0 HA PRO B 209 -8.893 -2.460 3.464 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -7.101 -0.235 2.617 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.289 -0.214 3.904 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.627 -0.148 4.395 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.765 -0.877 5.510 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.923 -2.220 3.543 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.357 -2.720 5.166 1.00 15.00 H new ATOM 670 N PRO B 210 -9.133 -2.568 1.013 1.00 15.00 N ATOM 671 CA PRO B 210 -9.311 -2.753 -0.437 1.00 15.00 C ATOM 672 C PRO B 210 -8.763 -1.578 -1.248 1.00 15.00 C ATOM 673 O PRO B 210 -8.903 -0.419 -0.845 1.00 15.00 O ATOM 674 CB PRO B 210 -10.834 -2.853 -0.608 1.00 15.00 C ATOM 675 CG PRO B 210 -11.416 -2.328 0.661 1.00 15.00 C ATOM 676 CD PRO B 210 -10.413 -2.634 1.733 1.00 15.00 C ATOM 0 HA PRO B 210 -8.770 -3.628 -0.799 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.171 -2.270 -1.465 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.142 -3.884 -0.783 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.599 -1.256 0.592 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.374 -2.801 0.876 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.457 -1.910 2.546 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.579 -3.617 2.173 1.00 15.00 H new ATOM 684 N TYR B 211 -8.164 -1.883 -2.403 1.00 15.00 N ATOM 685 CA TYR B 211 -7.559 -0.857 -3.251 1.00 15.00 C ATOM 686 C TYR B 211 -8.587 0.172 -3.716 1.00 15.00 C ATOM 687 O TYR B 211 -9.417 -0.095 -4.589 1.00 15.00 O ATOM 688 CB TYR B 211 -6.839 -1.472 -4.473 1.00 15.00 C ATOM 689 CG TYR B 211 -6.393 -0.441 -5.509 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.874 0.789 -5.114 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.515 -0.684 -6.880 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.504 1.743 -6.042 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.129 0.275 -7.807 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.636 1.471 -7.383 1.00 15.00 C ATOM 695 OH TYR B 211 -5.300 2.407 -8.322 1.00 15.00 O ATOM 0 H TYR B 211 -8.086 -2.831 -2.770 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.817 -0.348 -2.636 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.967 -2.027 -4.128 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.505 -2.190 -4.952 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.758 1.001 -4.061 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.914 -1.628 -7.222 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.114 2.696 -5.716 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.220 0.072 -8.864 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.453 2.831 -8.072 1.00 15.00 H new ATOM 705 N SER B 212 -8.541 1.334 -3.091 1.00 15.00 N ATOM 706 CA SER B 212 -9.226 2.506 -3.588 1.00 15.00 C ATOM 707 C SER B 212 -8.184 3.352 -4.304 1.00 15.00 C ATOM 708 O SER B 212 -7.078 3.514 -3.790 1.00 15.00 O ATOM 709 CB SER B 212 -9.860 3.283 -2.429 1.00 15.00 C ATOM 710 OG SER B 212 -10.713 4.313 -2.904 1.00 15.00 O ATOM 0 H SER B 212 -8.026 1.489 -2.224 1.00 15.00 H new ATOM 0 HA SER B 212 -10.032 2.233 -4.269 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.428 2.600 -1.798 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.077 3.715 -1.806 1.00 15.00 H new ATOM 0 HG SER B 212 -11.105 4.790 -2.143 1.00 15.00 H new ATOM 716 N ARG B 213 -8.523 3.892 -5.468 1.00 15.00 N ATOM 717 CA ARG B 213 -7.519 4.501 -6.336 1.00 15.00 C ATOM 718 C ARG B 213 -6.793 5.657 -5.653 1.00 15.00 C ATOM 719 O ARG B 213 -5.566 5.718 -5.673 1.00 15.00 O ATOM 720 CB ARG B 213 -8.133 4.997 -7.651 1.00 15.00 C ATOM 721 CG ARG B 213 -8.567 3.907 -8.622 1.00 15.00 C ATOM 722 CD ARG B 213 -10.064 3.670 -8.562 1.00 15.00 C ATOM 723 NE ARG B 213 -10.438 2.771 -7.468 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.667 2.669 -6.961 1.00 15.00 C ATOM 725 NH1 ARG B 213 -12.650 3.433 -7.417 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -11.916 1.783 -6.003 1.00 15.00 N ATOM 0 H ARG B 213 -9.476 3.922 -5.832 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.795 3.716 -6.554 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.998 5.617 -7.417 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.408 5.638 -8.152 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.283 4.188 -9.636 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.042 2.981 -8.389 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -10.577 4.624 -8.438 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.402 3.248 -9.509 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.708 2.182 -7.066 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -12.469 4.106 -8.162 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -13.587 3.348 -7.023 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.168 1.182 -5.657 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.855 1.703 -5.614 1.00 15.00 H new ATOM 740 N TYR B 214 -7.543 6.588 -5.082 1.00 15.00 N ATOM 741 CA TYR B 214 -6.934 7.777 -4.494 1.00 15.00 C ATOM 742 C TYR B 214 -7.253 7.887 -3.010 1.00 15.00 C ATOM 743 O TYR B 214 -8.319 8.367 -2.626 1.00 15.00 O ATOM 744 CB TYR B 214 -7.365 9.045 -5.248 1.00 15.00 C ATOM 745 CG TYR B 214 -6.940 9.037 -6.702 1.00 15.00 C ATOM 746 CD1 TYR B 214 -7.503 8.136 -7.592 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.964 9.903 -7.178 1.00 15.00 C ATOM 748 CE1 TYR B 214 -7.115 8.090 -8.910 1.00 15.00 C ATOM 749 CE2 TYR B 214 -5.572 9.870 -8.504 1.00 15.00 C ATOM 750 CZ TYR B 214 -6.150 8.960 -9.365 1.00 15.00 C ATOM 751 OH TYR B 214 -5.760 8.914 -10.683 1.00 15.00 O ATOM 0 H TYR B 214 -8.560 6.547 -5.012 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.853 7.678 -4.591 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.449 9.145 -5.192 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.938 9.918 -4.754 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.264 7.454 -7.242 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.505 10.611 -6.504 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -7.564 7.376 -9.584 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.817 10.553 -8.864 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.072 9.593 -10.844 1.00 15.00 H new ATOM 761 N PRO B 215 -6.343 7.389 -2.159 1.00 15.00 N ATOM 762 CA PRO B 215 -6.461 7.476 -0.716 1.00 15.00 C ATOM 763 C PRO B 215 -5.686 8.665 -0.154 1.00 15.00 C ATOM 764 O PRO B 215 -5.484 8.773 1.057 1.00 15.00 O ATOM 765 CB PRO B 215 -5.833 6.156 -0.253 1.00 15.00 C ATOM 766 CG PRO B 215 -4.940 5.704 -1.372 1.00 15.00 C ATOM 767 CD PRO B 215 -5.127 6.660 -2.527 1.00 15.00 C ATOM 0 HA PRO B 215 -7.488 7.622 -0.382 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.265 6.296 0.667 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.601 5.412 -0.043 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.899 5.694 -1.049 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.190 4.687 -1.674 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.274 7.329 -2.639 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.244 6.132 -3.473 1.00 15.00 H new ATOM 775 N MET B 216 -5.254 9.553 -1.046 1.00 15.00 N ATOM 776 CA MET B 216 -4.471 10.716 -0.652 1.00 15.00 C ATOM 777 C MET B 216 -5.350 11.750 0.045 1.00 15.00 C ATOM 778 O MET B 216 -6.294 12.288 -0.535 1.00 15.00 O ATOM 779 CB MET B 216 -3.750 11.336 -1.859 1.00 15.00 C ATOM 780 CG MET B 216 -4.673 11.837 -2.960 1.00 15.00 C ATOM 781 SD MET B 216 -3.776 12.641 -4.302 1.00 15.00 S ATOM 782 CE MET B 216 -5.131 13.133 -5.363 1.00 15.00 C ATOM 0 H MET B 216 -5.435 9.487 -2.048 1.00 15.00 H new ATOM 0 HA MET B 216 -3.711 10.383 0.055 1.00 15.00 H new ATOM 0 HB2 MET B 216 -3.136 12.167 -1.511 1.00 15.00 H new ATOM 0 HB3 MET B 216 -3.072 10.594 -2.281 1.00 15.00 H new ATOM 0 HG2 MET B 216 -5.244 10.999 -3.360 1.00 15.00 H new ATOM 0 HG3 MET B 216 -5.391 12.539 -2.536 1.00 15.00 H new ATOM 0 HE1 MET B 216 -4.770 13.245 -6.386 1.00 15.00 H new ATOM 0 HE2 MET B 216 -5.911 12.372 -5.334 1.00 15.00 H new ATOM 0 HE3 MET B 216 -5.538 14.083 -5.016 1.00 15.00 H new ATOM 792 N ASP B 217 -5.041 11.992 1.302 1.00 15.00 N ATOM 793 CA ASP B 217 -5.762 12.957 2.113 1.00 15.00 C ATOM 794 C ASP B 217 -4.811 13.555 3.134 1.00 15.00 C ATOM 795 O ASP B 217 -4.695 14.792 3.194 1.00 15.00 O ATOM 796 CB ASP B 217 -6.951 12.294 2.817 1.00 15.00 C ATOM 797 CG ASP B 217 -7.667 13.237 3.764 1.00 15.00 C ATOM 798 OD1 ASP B 217 -8.484 14.059 3.296 1.00 15.00 O ATOM 799 OD2 ASP B 217 -7.434 13.142 4.986 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -4.126 12.769 3.827 1.00 15.00 O ATOM 0 H ASP B 217 -4.280 11.524 1.794 1.00 15.00 H new ATOM 0 HA ASP B 217 -6.152 13.746 1.470 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -7.656 11.932 2.069 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -6.601 11.424 3.372 1.00 15.00 H new TER 805 ASP B 217