USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=15 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 HD1:sc= 0.165 K(o=1,f=-8.6!) USER MOD Set 1.2: B 211 TYR OH : rot 50:sc= 0.882 USER MOD Single : A 290 SER OG : rot 42:sc= 0.0432 USER MOD Single : A 291 THR OG1 : rot -178:sc= -0.37 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot -144:sc= 1.27 USER MOD Single : A 302 ASN : amide:sc= 1.16 K(o=1.2,f=-0.089) USER MOD Single : A 303 ASN :FLIP amide:sc= -0.0189 F(o=-1.3!,f=-0.019) USER MOD Single : A 305 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 306 THR OG1 : rot -154:sc= 0.155 USER MOD Single : A 307 GLN :FLIP amide:sc= -0.642 F(o=-1.3!,f=-0.64) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0147 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 -160:sc= -0.0914 (180deg=-0.541) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 14.399 8.483 -8.998 1.00 15.00 N ATOM 2 CA GLY A 280 13.570 8.521 -7.769 1.00 15.00 C ATOM 3 C GLY A 280 13.886 7.367 -6.840 1.00 15.00 C ATOM 4 O GLY A 280 14.243 6.288 -7.305 1.00 15.00 O ATOM 0 HA2 GLY A 280 13.737 9.463 -7.247 1.00 15.00 H new ATOM 0 HA3 GLY A 280 12.515 8.490 -8.041 1.00 15.00 H new ATOM 10 N PRO A 281 13.768 7.560 -5.516 1.00 15.00 N ATOM 11 CA PRO A 281 14.024 6.501 -4.537 1.00 15.00 C ATOM 12 C PRO A 281 12.853 5.528 -4.420 1.00 15.00 C ATOM 13 O PRO A 281 12.956 4.483 -3.778 1.00 15.00 O ATOM 14 CB PRO A 281 14.216 7.275 -3.234 1.00 15.00 C ATOM 15 CG PRO A 281 13.373 8.494 -3.396 1.00 15.00 C ATOM 16 CD PRO A 281 13.389 8.831 -4.866 1.00 15.00 C ATOM 0 HA PRO A 281 14.878 5.881 -4.810 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.901 6.686 -2.373 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.263 7.534 -3.077 1.00 15.00 H new ATOM 0 HG2 PRO A 281 12.355 8.311 -3.051 1.00 15.00 H new ATOM 0 HG3 PRO A 281 13.767 9.320 -2.804 1.00 15.00 H new ATOM 0 HD2 PRO A 281 12.414 9.179 -5.207 1.00 15.00 H new ATOM 0 HD3 PRO A 281 14.105 9.622 -5.087 1.00 15.00 H new ATOM 24 N LEU A 282 11.740 5.896 -5.036 1.00 15.00 N ATOM 25 CA LEU A 282 10.532 5.091 -5.009 1.00 15.00 C ATOM 26 C LEU A 282 9.650 5.470 -6.193 1.00 15.00 C ATOM 27 O LEU A 282 9.357 6.649 -6.396 1.00 15.00 O ATOM 28 CB LEU A 282 9.794 5.302 -3.676 1.00 15.00 C ATOM 29 CG LEU A 282 8.473 4.542 -3.508 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.347 4.012 -2.089 1.00 15.00 C ATOM 31 CD2 LEU A 282 7.293 5.450 -3.825 1.00 15.00 C ATOM 0 H LEU A 282 11.650 6.761 -5.568 1.00 15.00 H new ATOM 0 HA LEU A 282 10.786 4.034 -5.089 1.00 15.00 H new ATOM 0 HB2 LEU A 282 10.462 5.012 -2.865 1.00 15.00 H new ATOM 0 HB3 LEU A 282 9.594 6.367 -3.560 1.00 15.00 H new ATOM 0 HG LEU A 282 8.469 3.703 -4.203 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.405 3.475 -1.984 1.00 15.00 H new ATOM 0 HD12 LEU A 282 9.176 3.336 -1.878 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.370 4.845 -1.386 1.00 15.00 H new ATOM 0 HD21 LEU A 282 6.363 4.895 -3.701 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.299 6.304 -3.148 1.00 15.00 H new ATOM 0 HD23 LEU A 282 7.371 5.802 -4.854 1.00 15.00 H new ATOM 43 N PRO A 283 9.244 4.480 -7.002 1.00 15.00 N ATOM 44 CA PRO A 283 8.383 4.705 -8.170 1.00 15.00 C ATOM 45 C PRO A 283 7.066 5.383 -7.793 1.00 15.00 C ATOM 46 O PRO A 283 6.395 4.947 -6.859 1.00 15.00 O ATOM 47 CB PRO A 283 8.116 3.289 -8.696 1.00 15.00 C ATOM 48 CG PRO A 283 9.243 2.468 -8.177 1.00 15.00 C ATOM 49 CD PRO A 283 9.595 3.058 -6.842 1.00 15.00 C ATOM 0 HA PRO A 283 8.852 5.365 -8.900 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.157 2.911 -8.343 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.084 3.272 -9.785 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.952 1.422 -8.078 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.095 2.499 -8.856 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.031 2.592 -6.034 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.652 2.927 -6.610 1.00 15.00 H new ATOM 57 N PRO A 284 6.658 6.447 -8.522 1.00 15.00 N ATOM 58 CA PRO A 284 5.408 7.172 -8.236 1.00 15.00 C ATOM 59 C PRO A 284 4.157 6.291 -8.331 1.00 15.00 C ATOM 60 O PRO A 284 3.056 6.722 -7.984 1.00 15.00 O ATOM 61 CB PRO A 284 5.357 8.262 -9.312 1.00 15.00 C ATOM 62 CG PRO A 284 6.759 8.408 -9.787 1.00 15.00 C ATOM 63 CD PRO A 284 7.392 7.053 -9.649 1.00 15.00 C ATOM 0 HA PRO A 284 5.409 7.551 -7.214 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.692 7.979 -10.128 1.00 15.00 H new ATOM 0 HB3 PRO A 284 4.980 9.200 -8.905 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.786 8.746 -10.823 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.295 9.150 -9.195 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.286 6.465 -10.561 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.459 7.127 -9.440 1.00 15.00 H new ATOM 71 N GLY A 285 4.326 5.070 -8.826 1.00 15.00 N ATOM 72 CA GLY A 285 3.231 4.123 -8.861 1.00 15.00 C ATOM 73 C GLY A 285 2.962 3.528 -7.493 1.00 15.00 C ATOM 74 O GLY A 285 1.894 2.963 -7.250 1.00 15.00 O ATOM 0 H GLY A 285 5.206 4.720 -9.205 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.332 4.620 -9.225 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.462 3.325 -9.566 1.00 15.00 H new ATOM 78 N TRP A 286 3.936 3.672 -6.600 1.00 15.00 N ATOM 79 CA TRP A 286 3.812 3.202 -5.229 1.00 15.00 C ATOM 80 C TRP A 286 3.228 4.288 -4.343 1.00 15.00 C ATOM 81 O TRP A 286 3.901 5.271 -4.030 1.00 15.00 O ATOM 82 CB TRP A 286 5.182 2.760 -4.681 1.00 15.00 C ATOM 83 CG TRP A 286 5.555 1.375 -5.101 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.964 0.974 -6.340 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.523 0.201 -4.285 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.166 -0.383 -6.351 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.896 -0.883 -5.102 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.204 -0.045 -2.944 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.948 -2.190 -4.626 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.253 -1.341 -2.479 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.613 -2.402 -3.317 1.00 15.00 C ATOM 0 H TRP A 286 4.830 4.117 -6.808 1.00 15.00 H new ATOM 0 HA TRP A 286 3.139 2.345 -5.225 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.947 3.457 -5.023 1.00 15.00 H new ATOM 0 HB3 TRP A 286 5.167 2.813 -3.592 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.107 1.629 -7.187 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.468 -0.931 -7.157 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.925 0.765 -2.287 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.242 -3.008 -5.267 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.009 -1.542 -1.446 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.627 -3.407 -2.923 1.00 15.00 H new ATOM 102 N GLU A 287 1.963 4.142 -3.967 1.00 15.00 N ATOM 103 CA GLU A 287 1.364 5.074 -3.034 1.00 15.00 C ATOM 104 C GLU A 287 1.223 4.406 -1.671 1.00 15.00 C ATOM 105 O GLU A 287 0.409 3.497 -1.488 1.00 15.00 O ATOM 106 CB GLU A 287 0.018 5.570 -3.567 1.00 15.00 C ATOM 107 CG GLU A 287 -0.735 6.480 -2.607 1.00 15.00 C ATOM 108 CD GLU A 287 -0.005 7.781 -2.355 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.240 8.753 -3.102 1.00 15.00 O ATOM 110 OE2 GLU A 287 0.821 7.838 -1.419 1.00 15.00 O1- ATOM 0 H GLU A 287 1.345 3.398 -4.290 1.00 15.00 H new ATOM 0 HA GLU A 287 2.007 5.947 -2.921 1.00 15.00 H new ATOM 0 HB2 GLU A 287 0.185 6.105 -4.502 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.608 4.709 -3.800 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -1.724 6.694 -3.013 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -0.885 5.961 -1.660 1.00 15.00 H new ATOM 117 N VAL A 288 2.064 4.828 -0.736 1.00 15.00 N ATOM 118 CA VAL A 288 2.118 4.216 0.582 1.00 15.00 C ATOM 119 C VAL A 288 1.282 4.998 1.591 1.00 15.00 C ATOM 120 O VAL A 288 1.479 6.197 1.803 1.00 15.00 O ATOM 121 CB VAL A 288 3.577 4.075 1.092 1.00 15.00 C ATOM 122 CG1 VAL A 288 4.354 5.371 0.910 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.598 3.647 2.549 1.00 15.00 C ATOM 0 H VAL A 288 2.721 5.597 -0.869 1.00 15.00 H new ATOM 0 HA VAL A 288 1.696 3.216 0.483 1.00 15.00 H new ATOM 0 HB VAL A 288 4.063 3.303 0.495 1.00 15.00 H new ATOM 0 HG11 VAL A 288 5.372 5.239 1.277 1.00 15.00 H new ATOM 0 HG12 VAL A 288 4.380 5.634 -0.147 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.867 6.169 1.470 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.630 3.554 2.886 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.084 4.393 3.155 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.095 2.686 2.653 1.00 15.00 H new ATOM 133 N ARG A 289 0.341 4.302 2.200 1.00 15.00 N ATOM 134 CA ARG A 289 -0.510 4.879 3.222 1.00 15.00 C ATOM 135 C ARG A 289 -0.431 4.063 4.505 1.00 15.00 C ATOM 136 O ARG A 289 -0.307 2.843 4.472 1.00 15.00 O ATOM 137 CB ARG A 289 -1.953 4.965 2.715 1.00 15.00 C ATOM 138 CG ARG A 289 -2.268 6.275 2.012 1.00 15.00 C ATOM 139 CD ARG A 289 -2.217 7.433 2.999 1.00 15.00 C ATOM 140 NE ARG A 289 -2.473 8.729 2.371 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.632 9.862 3.058 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.661 9.836 4.386 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.793 11.018 2.423 1.00 15.00 N ATOM 0 H ARG A 289 0.145 3.321 2.000 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.162 5.888 3.444 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.139 4.139 2.029 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.634 4.840 3.557 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.553 6.444 1.207 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.256 6.221 1.555 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.952 7.265 3.786 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.237 7.454 3.477 1.00 15.00 H new ATOM 0 HE ARG A 289 -2.533 8.769 1.354 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.562 8.950 4.881 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.783 10.702 4.911 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -2.796 11.044 1.403 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.914 11.880 2.955 1.00 15.00 H new ATOM 157 N SER A 290 -0.484 4.746 5.630 1.00 15.00 N ATOM 158 CA SER A 290 -0.471 4.088 6.922 1.00 15.00 C ATOM 159 C SER A 290 -1.864 4.116 7.538 1.00 15.00 C ATOM 160 O SER A 290 -2.486 5.173 7.623 1.00 15.00 O ATOM 161 CB SER A 290 0.538 4.779 7.839 1.00 15.00 C ATOM 162 OG SER A 290 0.391 6.191 7.783 1.00 15.00 O ATOM 0 H SER A 290 -0.537 5.764 5.676 1.00 15.00 H new ATOM 0 HA SER A 290 -0.174 3.047 6.794 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.399 4.435 8.864 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.551 4.503 7.545 1.00 15.00 H new ATOM 0 HG SER A 290 -0.562 6.421 7.774 1.00 15.00 H new ATOM 168 N THR A 291 -2.333 2.964 7.986 1.00 15.00 N ATOM 169 CA THR A 291 -3.657 2.860 8.573 1.00 15.00 C ATOM 170 C THR A 291 -3.588 3.110 10.071 1.00 15.00 C ATOM 171 O THR A 291 -2.591 2.771 10.717 1.00 15.00 O ATOM 172 CB THR A 291 -4.272 1.470 8.320 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.308 0.618 7.685 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.515 1.569 7.451 1.00 15.00 C ATOM 0 H THR A 291 -1.815 2.086 7.954 1.00 15.00 H new ATOM 0 HA THR A 291 -4.288 3.613 8.102 1.00 15.00 H new ATOM 0 HB THR A 291 -4.559 1.047 9.283 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.714 -0.254 7.499 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.927 0.573 7.290 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.258 2.192 7.948 1.00 15.00 H new ATOM 0 HG23 THR A 291 -5.253 2.013 6.491 1.00 15.00 H new ATOM 182 N VAL A 292 -4.648 3.696 10.616 1.00 15.00 N ATOM 183 CA VAL A 292 -4.715 4.028 12.039 1.00 15.00 C ATOM 184 C VAL A 292 -4.577 2.768 12.900 1.00 15.00 C ATOM 185 O VAL A 292 -4.228 2.837 14.076 1.00 15.00 O ATOM 186 CB VAL A 292 -6.039 4.749 12.379 1.00 15.00 C ATOM 187 CG1 VAL A 292 -6.041 5.235 13.819 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.274 5.914 11.427 1.00 15.00 C ATOM 0 H VAL A 292 -5.482 3.954 10.089 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.885 4.699 12.259 1.00 15.00 H new ATOM 0 HB VAL A 292 -6.852 4.032 12.260 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.984 5.739 14.032 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -5.924 4.384 14.490 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.216 5.931 13.969 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.211 6.409 11.682 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -5.453 6.625 11.513 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.327 5.543 10.404 1.00 15.00 H new ATOM 198 N SER A 293 -4.834 1.617 12.290 1.00 15.00 N ATOM 199 CA SER A 293 -4.669 0.324 12.943 1.00 15.00 C ATOM 200 C SER A 293 -3.199 0.056 13.301 1.00 15.00 C ATOM 201 O SER A 293 -2.895 -0.861 14.061 1.00 15.00 O ATOM 202 CB SER A 293 -5.201 -0.782 12.033 1.00 15.00 C ATOM 203 OG SER A 293 -6.494 -0.454 11.551 1.00 15.00 O ATOM 0 H SER A 293 -5.163 1.554 11.327 1.00 15.00 H new ATOM 0 HA SER A 293 -5.237 0.337 13.873 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.521 -0.929 11.194 1.00 15.00 H new ATOM 0 HB3 SER A 293 -5.239 -1.724 12.581 1.00 15.00 H new ATOM 0 HG SER A 293 -6.818 -1.173 10.969 1.00 15.00 H new ATOM 209 N GLY A 294 -2.295 0.840 12.720 1.00 15.00 N ATOM 210 CA GLY A 294 -0.877 0.630 12.935 1.00 15.00 C ATOM 211 C GLY A 294 -0.297 -0.313 11.908 1.00 15.00 C ATOM 212 O GLY A 294 0.496 -1.195 12.230 1.00 15.00 O ATOM 0 H GLY A 294 -2.522 1.619 12.102 1.00 15.00 H new ATOM 0 HA2 GLY A 294 -0.355 1.586 12.889 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.715 0.226 13.934 1.00 15.00 H new ATOM 216 N ARG A 295 -0.704 -0.116 10.666 1.00 15.00 N ATOM 217 CA ARG A 295 -0.275 -0.961 9.562 1.00 15.00 C ATOM 218 C ARG A 295 0.191 -0.094 8.403 1.00 15.00 C ATOM 219 O ARG A 295 -0.415 0.937 8.117 1.00 15.00 O ATOM 220 CB ARG A 295 -1.441 -1.834 9.085 1.00 15.00 C ATOM 221 CG ARG A 295 -1.972 -2.813 10.118 1.00 15.00 C ATOM 222 CD ARG A 295 -1.184 -4.112 10.128 1.00 15.00 C ATOM 223 NE ARG A 295 -1.672 -5.020 11.163 1.00 15.00 N ATOM 224 CZ ARG A 295 -1.113 -6.190 11.457 1.00 15.00 C ATOM 225 NH1 ARG A 295 -0.051 -6.604 10.785 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -1.621 -6.940 12.427 1.00 15.00 N ATOM 0 H ARG A 295 -1.340 0.633 10.393 1.00 15.00 H new ATOM 0 HA ARG A 295 0.542 -1.595 9.905 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -2.257 -1.184 8.769 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -1.121 -2.394 8.206 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -1.930 -2.356 11.106 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -3.020 -3.026 9.910 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.260 -4.594 9.153 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -0.128 -3.898 10.297 1.00 15.00 H new ATOM 0 HE ARG A 295 -2.495 -4.738 11.695 1.00 15.00 H new ATOM 0 HH11 ARG A 295 0.339 -6.025 10.041 1.00 15.00 H new ATOM 0 HH12 ARG A 295 0.377 -7.502 11.011 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -2.439 -6.618 12.945 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -1.194 -7.838 12.654 1.00 15.00 H new ATOM 240 N ILE A 296 1.252 -0.500 7.730 1.00 15.00 N ATOM 241 CA ILE A 296 1.636 0.154 6.490 1.00 15.00 C ATOM 242 C ILE A 296 0.944 -0.583 5.345 1.00 15.00 C ATOM 243 O ILE A 296 0.854 -1.810 5.372 1.00 15.00 O ATOM 244 CB ILE A 296 3.176 0.177 6.299 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.575 1.285 5.324 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.703 -1.166 5.815 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.266 2.674 5.840 1.00 15.00 C ATOM 0 H ILE A 296 1.857 -1.270 8.015 1.00 15.00 H new ATOM 0 HA ILE A 296 1.323 1.198 6.512 1.00 15.00 H new ATOM 0 HB ILE A 296 3.626 0.379 7.271 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.643 1.211 5.117 1.00 15.00 H new ATOM 0 HG13 ILE A 296 3.055 1.132 4.378 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.785 -1.110 5.693 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.460 -1.937 6.546 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.243 -1.414 4.859 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.574 3.414 5.101 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.195 2.765 6.021 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.807 2.845 6.771 1.00 15.00 H new ATOM 259 N TYR A 297 0.418 0.135 4.362 1.00 15.00 N ATOM 260 CA TYR A 297 -0.444 -0.508 3.386 1.00 15.00 C ATOM 261 C TYR A 297 -0.352 0.180 2.051 1.00 15.00 C ATOM 262 O TYR A 297 -0.386 1.409 1.949 1.00 15.00 O ATOM 263 CB TYR A 297 -1.902 -0.609 3.884 1.00 15.00 C ATOM 264 CG TYR A 297 -2.810 0.587 3.647 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.508 0.733 2.450 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.015 1.538 4.639 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.367 1.795 2.248 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.880 2.598 4.447 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.553 2.723 3.250 1.00 15.00 C ATOM 270 OH TYR A 297 -5.421 3.773 3.055 1.00 15.00 O ATOM 0 H TYR A 297 0.568 1.134 4.222 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.089 -1.530 3.255 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.360 -1.478 3.410 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.878 -0.806 4.956 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.375 0.002 1.666 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.488 1.447 5.578 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.891 1.898 1.309 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.028 3.326 5.231 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.067 4.576 3.492 1.00 15.00 H new ATOM 280 N PHE A 298 -0.217 -0.627 1.030 1.00 15.00 N ATOM 281 CA PHE A 298 -0.048 -0.130 -0.301 1.00 15.00 C ATOM 282 C PHE A 298 -1.244 -0.225 -1.181 1.00 15.00 C ATOM 283 O PHE A 298 -2.062 -1.138 -1.093 1.00 15.00 O ATOM 284 CB PHE A 298 1.100 -0.819 -0.975 1.00 15.00 C ATOM 285 CG PHE A 298 2.342 -0.079 -0.743 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.549 1.081 -1.451 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.285 -0.508 0.164 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.686 1.806 -1.274 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.429 0.221 0.350 1.00 15.00 C ATOM 290 CZ PHE A 298 4.621 1.371 -0.373 1.00 15.00 C ATOM 0 H PHE A 298 -0.222 -1.644 1.103 1.00 15.00 H new ATOM 0 HA PHE A 298 0.143 0.935 -0.166 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.198 -1.836 -0.594 1.00 15.00 H new ATOM 0 HB3 PHE A 298 0.909 -0.897 -2.045 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.802 1.420 -2.154 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.123 -1.416 0.726 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.849 2.713 -1.837 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.174 -0.107 1.060 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.525 1.943 -0.229 1.00 15.00 H new ATOM 300 N VAL A 299 -1.271 0.733 -2.073 1.00 15.00 N ATOM 301 CA VAL A 299 -2.149 0.725 -3.202 1.00 15.00 C ATOM 302 C VAL A 299 -1.299 1.067 -4.431 1.00 15.00 C ATOM 303 O VAL A 299 -0.791 2.189 -4.596 1.00 15.00 O ATOM 304 CB VAL A 299 -3.374 1.675 -3.027 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.172 1.304 -1.781 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.967 3.133 -2.957 1.00 15.00 C ATOM 0 H VAL A 299 -0.668 1.555 -2.028 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.600 -0.260 -3.319 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.999 1.546 -3.911 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.021 1.979 -1.679 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.532 0.279 -1.871 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.534 1.388 -0.902 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.855 3.753 -2.835 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.300 3.284 -2.109 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.453 3.412 -3.877 1.00 15.00 H new ATOM 316 N ASP A 300 -1.031 0.038 -5.216 1.00 15.00 N ATOM 317 CA ASP A 300 -0.194 0.165 -6.397 1.00 15.00 C ATOM 318 C ASP A 300 -1.050 0.447 -7.621 1.00 15.00 C ATOM 319 O ASP A 300 -2.071 -0.205 -7.837 1.00 15.00 O ATOM 320 CB ASP A 300 0.643 -1.105 -6.593 1.00 15.00 C ATOM 321 CG ASP A 300 0.842 -1.457 -8.056 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.596 -0.741 -8.748 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.215 -2.432 -8.525 1.00 15.00 O ATOM 0 H ASP A 300 -1.385 -0.905 -5.054 1.00 15.00 H new ATOM 0 HA ASP A 300 0.488 1.004 -6.259 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.616 -0.970 -6.121 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.156 -1.938 -6.086 1.00 15.00 H new ATOM 328 N HIS A 301 -0.619 1.411 -8.421 1.00 15.00 N ATOM 329 CA HIS A 301 -1.389 1.851 -9.577 1.00 15.00 C ATOM 330 C HIS A 301 -1.104 1.009 -10.817 1.00 15.00 C ATOM 331 O HIS A 301 -1.844 1.082 -11.798 1.00 15.00 O ATOM 332 CB HIS A 301 -1.109 3.321 -9.896 1.00 15.00 C ATOM 333 CG HIS A 301 -1.753 4.296 -8.958 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.118 4.443 -8.851 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.212 5.217 -8.122 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.389 5.421 -8.008 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.252 5.907 -7.546 1.00 15.00 N ATOM 0 H HIS A 301 0.263 1.906 -8.291 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.439 1.726 -9.311 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.031 3.483 -9.884 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.452 3.531 -10.909 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.159 5.378 -7.942 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.377 5.766 -7.740 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.160 6.668 -6.873 1.00 15.00 H new ATOM 346 N ASN A 302 -0.029 0.231 -10.791 1.00 15.00 N ATOM 347 CA ASN A 302 0.380 -0.535 -11.964 1.00 15.00 C ATOM 348 C ASN A 302 -0.508 -1.761 -12.143 1.00 15.00 C ATOM 349 O ASN A 302 -1.279 -1.852 -13.103 1.00 15.00 O ATOM 350 CB ASN A 302 1.850 -0.964 -11.859 1.00 15.00 C ATOM 351 CG ASN A 302 2.805 0.210 -11.755 1.00 15.00 C ATOM 352 OD1 ASN A 302 3.256 0.754 -12.763 1.00 15.00 O ATOM 353 ND2 ASN A 302 3.124 0.604 -10.531 1.00 15.00 N ATOM 0 H ASN A 302 0.573 0.113 -9.976 1.00 15.00 H new ATOM 0 HA ASN A 302 0.270 0.110 -12.836 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.974 -1.604 -10.986 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.111 -1.561 -12.732 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.766 1.386 -10.398 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.728 0.126 -9.722 1.00 15.00 H new ATOM 360 N ASN A 303 -0.412 -2.698 -11.212 1.00 15.00 N ATOM 361 CA ASN A 303 -1.211 -3.915 -11.267 1.00 15.00 C ATOM 362 C ASN A 303 -2.517 -3.742 -10.503 1.00 15.00 C ATOM 363 O ASN A 303 -3.435 -4.556 -10.639 1.00 15.00 O ATOM 364 CB ASN A 303 -0.438 -5.112 -10.705 1.00 15.00 C ATOM 365 CG ASN A 303 0.766 -5.499 -11.546 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.713 -5.210 -12.839 1.00 15.00 O flip ATOM 367 ND2 ASN A 303 1.738 -6.053 -11.035 1.00 15.00 N flip ATOM 0 H ASN A 303 0.212 -2.640 -10.407 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.437 -4.109 -12.316 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.106 -4.878 -9.693 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.110 -5.967 -10.630 1.00 15.00 H new ATOM 0 HD21 ASN A 303 1.741 -6.259 -10.036 1.00 15.00 H new ATOM 0 HD22 ASN A 303 2.541 -6.307 -11.610 1.00 15.00 H new ATOM 374 N ARG A 304 -2.573 -2.682 -9.687 1.00 15.00 N ATOM 375 CA ARG A 304 -3.690 -2.417 -8.786 1.00 15.00 C ATOM 376 C ARG A 304 -3.675 -3.441 -7.664 1.00 15.00 C ATOM 377 O ARG A 304 -4.514 -4.341 -7.601 1.00 15.00 O ATOM 378 CB ARG A 304 -5.040 -2.412 -9.513 1.00 15.00 C ATOM 379 CG ARG A 304 -5.052 -1.536 -10.756 1.00 15.00 C ATOM 380 CD ARG A 304 -6.375 -1.628 -11.493 1.00 15.00 C ATOM 381 NE ARG A 304 -6.317 -0.969 -12.796 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.280 -1.044 -13.712 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.397 -1.719 -13.454 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.125 -0.440 -14.886 1.00 15.00 N ATOM 0 H ARG A 304 -1.834 -1.980 -9.637 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.567 -1.416 -8.372 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.297 -3.433 -9.795 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.813 -2.067 -8.826 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.864 -0.500 -10.473 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.243 -1.837 -11.421 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.644 -2.676 -11.627 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.160 -1.172 -10.890 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.488 -0.418 -13.017 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.517 -2.181 -12.552 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.133 -1.775 -14.158 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.270 0.079 -15.083 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.861 -0.496 -15.590 1.00 15.00 H new ATOM 398 N THR A 305 -2.679 -3.309 -6.804 1.00 15.00 N ATOM 399 CA THR A 305 -2.413 -4.308 -5.786 1.00 15.00 C ATOM 400 C THR A 305 -2.307 -3.669 -4.404 1.00 15.00 C ATOM 401 O THR A 305 -1.799 -2.555 -4.264 1.00 15.00 O ATOM 402 CB THR A 305 -1.097 -5.049 -6.097 1.00 15.00 C ATOM 403 OG1 THR A 305 -0.998 -5.296 -7.508 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.019 -6.368 -5.337 1.00 15.00 C ATOM 0 H THR A 305 -2.039 -2.515 -6.792 1.00 15.00 H new ATOM 0 HA THR A 305 -3.245 -5.013 -5.788 1.00 15.00 H new ATOM 0 HB THR A 305 -0.267 -4.419 -5.777 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.159 -5.765 -7.700 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.081 -6.870 -5.575 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.065 -6.174 -4.265 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.855 -7.005 -5.627 1.00 15.00 H new ATOM 412 N THR A 306 -2.796 -4.375 -3.392 1.00 15.00 N ATOM 413 CA THR A 306 -2.666 -3.925 -2.016 1.00 15.00 C ATOM 414 C THR A 306 -1.630 -4.769 -1.276 1.00 15.00 C ATOM 415 O THR A 306 -1.764 -5.988 -1.173 1.00 15.00 O ATOM 416 CB THR A 306 -4.015 -3.991 -1.275 1.00 15.00 C ATOM 417 OG1 THR A 306 -4.979 -3.177 -1.956 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.869 -3.514 0.164 1.00 15.00 C ATOM 0 H THR A 306 -3.287 -5.263 -3.501 1.00 15.00 H new ATOM 0 HA THR A 306 -2.337 -2.886 -2.038 1.00 15.00 H new ATOM 0 HB THR A 306 -4.351 -5.028 -1.262 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.664 -2.880 -1.321 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.835 -3.570 0.666 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.152 -4.147 0.686 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.516 -2.483 0.171 1.00 15.00 H new ATOM 426 N GLN A 307 -0.599 -4.113 -0.769 1.00 15.00 N ATOM 427 CA GLN A 307 0.499 -4.802 -0.103 1.00 15.00 C ATOM 428 C GLN A 307 0.604 -4.377 1.357 1.00 15.00 C ATOM 429 O GLN A 307 0.717 -3.190 1.649 1.00 15.00 O ATOM 430 CB GLN A 307 1.821 -4.486 -0.813 1.00 15.00 C ATOM 431 CG GLN A 307 1.902 -5.019 -2.233 1.00 15.00 C ATOM 432 CD GLN A 307 2.024 -6.531 -2.289 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.702 -7.112 -1.312 1.00 15.00 O flip ATOM 434 NE2 GLN A 307 1.538 -7.169 -3.221 1.00 15.00 N flip ATOM 0 H GLN A 307 -0.498 -3.099 -0.805 1.00 15.00 H new ATOM 0 HA GLN A 307 0.300 -5.873 -0.145 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.962 -3.405 -0.833 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.643 -4.904 -0.232 1.00 15.00 H new ATOM 0 HG2 GLN A 307 1.013 -4.710 -2.783 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.759 -4.571 -2.736 1.00 15.00 H new ATOM 0 HE21 GLN A 307 1.022 -6.685 -3.956 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.651 -8.182 -3.259 1.00 15.00 H new ATOM 443 N PHE A 308 0.569 -5.342 2.269 1.00 15.00 N ATOM 444 CA PHE A 308 0.836 -5.060 3.677 1.00 15.00 C ATOM 445 C PHE A 308 2.339 -5.095 3.938 1.00 15.00 C ATOM 446 O PHE A 308 2.811 -4.743 5.019 1.00 15.00 O ATOM 447 CB PHE A 308 0.104 -6.045 4.604 1.00 15.00 C ATOM 448 CG PHE A 308 -1.040 -5.411 5.356 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.108 -4.036 5.504 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.035 -6.182 5.929 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.146 -3.449 6.203 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.074 -5.595 6.622 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.130 -4.231 6.759 1.00 15.00 C ATOM 0 H PHE A 308 0.360 -6.319 2.063 1.00 15.00 H new ATOM 0 HA PHE A 308 0.456 -4.063 3.899 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.275 -6.878 4.012 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.815 -6.459 5.318 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.340 -3.414 5.068 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.998 -7.257 5.833 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.184 -2.375 6.312 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.846 -6.212 7.058 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.944 -3.774 7.302 1.00 15.00 H new ATOM 463 N THR A 309 3.081 -5.557 2.943 1.00 15.00 N ATOM 464 CA THR A 309 4.528 -5.622 3.026 1.00 15.00 C ATOM 465 C THR A 309 5.171 -4.410 2.350 1.00 15.00 C ATOM 466 O THR A 309 5.139 -4.279 1.127 1.00 15.00 O ATOM 467 CB THR A 309 5.051 -6.918 2.377 1.00 15.00 C ATOM 468 OG1 THR A 309 4.408 -8.049 2.979 1.00 15.00 O ATOM 469 CG2 THR A 309 6.560 -7.043 2.538 1.00 15.00 C ATOM 0 H THR A 309 2.697 -5.895 2.061 1.00 15.00 H new ATOM 0 HA THR A 309 4.800 -5.618 4.081 1.00 15.00 H new ATOM 0 HB THR A 309 4.823 -6.884 1.312 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.740 -8.873 2.565 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.901 -7.967 2.070 1.00 15.00 H new ATOM 0 HG22 THR A 309 7.048 -6.193 2.061 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.813 -7.058 3.598 1.00 15.00 H new ATOM 477 N ASP A 310 5.729 -3.521 3.164 1.00 15.00 N ATOM 478 CA ASP A 310 6.456 -2.358 2.660 1.00 15.00 C ATOM 479 C ASP A 310 7.918 -2.729 2.404 1.00 15.00 C ATOM 480 O ASP A 310 8.596 -3.258 3.290 1.00 15.00 O ATOM 481 CB ASP A 310 6.363 -1.208 3.669 1.00 15.00 C ATOM 482 CG ASP A 310 7.077 0.051 3.216 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.319 0.081 3.277 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 6.403 1.019 2.820 1.00 15.00 O ATOM 0 H ASP A 310 5.692 -3.583 4.181 1.00 15.00 H new ATOM 0 HA ASP A 310 6.009 -2.034 1.720 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.313 -0.976 3.849 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.785 -1.534 4.620 1.00 15.00 H new ATOM 489 N PRO A 311 8.422 -2.459 1.189 1.00 15.00 N ATOM 490 CA PRO A 311 9.785 -2.835 0.785 1.00 15.00 C ATOM 491 C PRO A 311 10.874 -2.000 1.463 1.00 15.00 C ATOM 492 O PRO A 311 12.053 -2.348 1.421 1.00 15.00 O ATOM 493 CB PRO A 311 9.787 -2.591 -0.726 1.00 15.00 C ATOM 494 CG PRO A 311 8.755 -1.538 -0.941 1.00 15.00 C ATOM 495 CD PRO A 311 7.695 -1.771 0.103 1.00 15.00 C ATOM 0 HA PRO A 311 10.014 -3.861 1.073 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.767 -2.262 -1.073 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.544 -3.501 -1.274 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.188 -0.543 -0.841 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.335 -1.604 -1.944 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.257 -0.834 0.445 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.879 -2.382 -0.283 1.00 15.00 H new ATOM 503 N ARG A 312 10.477 -0.891 2.062 1.00 15.00 N ATOM 504 CA ARG A 312 11.408 0.018 2.720 1.00 15.00 C ATOM 505 C ARG A 312 11.601 -0.369 4.189 1.00 15.00 C ATOM 506 O ARG A 312 12.674 -0.170 4.761 1.00 15.00 O ATOM 507 CB ARG A 312 10.886 1.455 2.585 1.00 15.00 C ATOM 508 CG ARG A 312 11.248 2.380 3.734 1.00 15.00 C ATOM 509 CD ARG A 312 10.297 3.563 3.786 1.00 15.00 C ATOM 510 NE ARG A 312 8.898 3.126 3.748 1.00 15.00 N ATOM 511 CZ ARG A 312 7.872 3.827 4.228 1.00 15.00 C ATOM 512 NH1 ARG A 312 8.074 4.977 4.864 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 6.639 3.362 4.087 1.00 15.00 N ATOM 0 H ARG A 312 9.503 -0.593 2.108 1.00 15.00 H new ATOM 0 HA ARG A 312 12.384 -0.051 2.239 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.274 1.881 1.660 1.00 15.00 H new ATOM 0 HB3 ARG A 312 9.800 1.424 2.492 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.208 1.832 4.676 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.272 2.734 3.614 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.476 4.136 4.696 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.495 4.228 2.946 1.00 15.00 H new ATOM 0 HE ARG A 312 8.696 2.221 3.324 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.022 5.331 4.989 1.00 15.00 H new ATOM 0 HH12 ARG A 312 7.281 5.505 5.227 1.00 15.00 H new ATOM 0 HH21 ARG A 312 6.480 2.473 3.613 1.00 15.00 H new ATOM 0 HH22 ARG A 312 5.849 3.893 4.452 1.00 15.00 H new ATOM 527 N LEU A 313 10.552 -0.909 4.797 1.00 15.00 N ATOM 528 CA LEU A 313 10.613 -1.348 6.192 1.00 15.00 C ATOM 529 C LEU A 313 11.337 -2.685 6.326 1.00 15.00 C ATOM 530 O LEU A 313 11.632 -3.134 7.433 1.00 15.00 O ATOM 531 CB LEU A 313 9.208 -1.460 6.799 1.00 15.00 C ATOM 532 CG LEU A 313 8.662 -0.186 7.456 1.00 15.00 C ATOM 533 CD1 LEU A 313 8.522 0.940 6.442 1.00 15.00 C ATOM 534 CD2 LEU A 313 7.326 -0.470 8.124 1.00 15.00 C ATOM 0 H LEU A 313 9.647 -1.055 4.349 1.00 15.00 H new ATOM 0 HA LEU A 313 11.176 -0.592 6.739 1.00 15.00 H new ATOM 0 HB2 LEU A 313 8.517 -1.766 6.014 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.217 -2.255 7.544 1.00 15.00 H new ATOM 0 HG LEU A 313 9.375 0.136 8.216 1.00 15.00 H new ATOM 0 HD11 LEU A 313 8.133 1.829 6.937 1.00 15.00 H new ATOM 0 HD12 LEU A 313 9.497 1.163 6.009 1.00 15.00 H new ATOM 0 HD13 LEU A 313 7.836 0.635 5.652 1.00 15.00 H new ATOM 0 HD21 LEU A 313 6.949 0.442 8.587 1.00 15.00 H new ATOM 0 HD22 LEU A 313 6.613 -0.820 7.377 1.00 15.00 H new ATOM 0 HD23 LEU A 313 7.457 -1.237 8.888 1.00 15.00 H new ATOM 546 N HIS A 314 11.606 -3.327 5.200 1.00 15.00 N ATOM 547 CA HIS A 314 12.270 -4.619 5.208 1.00 15.00 C ATOM 548 C HIS A 314 13.596 -4.534 4.468 1.00 15.00 C ATOM 549 O HIS A 314 14.586 -4.087 5.085 1.00 15.00 O ATOM 550 CB HIS A 314 11.375 -5.690 4.582 1.00 15.00 C ATOM 551 CG HIS A 314 10.110 -5.930 5.351 1.00 15.00 C ATOM 552 ND1 HIS A 314 8.936 -5.253 5.098 1.00 15.00 N ATOM 553 CD2 HIS A 314 9.842 -6.767 6.382 1.00 15.00 C ATOM 554 CE1 HIS A 314 8.005 -5.664 5.938 1.00 15.00 C ATOM 555 NE2 HIS A 314 8.528 -6.579 6.725 1.00 15.00 N ATOM 556 OXT HIS A 314 13.643 -4.900 3.279 1.00 15.00 O ATOM 0 H HIS A 314 11.375 -2.975 4.271 1.00 15.00 H new ATOM 0 HA HIS A 314 12.466 -4.900 6.243 1.00 15.00 H new ATOM 0 HB2 HIS A 314 11.122 -5.393 3.564 1.00 15.00 H new ATOM 0 HB3 HIS A 314 11.932 -6.624 4.512 1.00 15.00 H new ATOM 0 HD1 HIS A 314 8.807 -4.545 4.375 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.534 -7.454 6.847 1.00 15.00 H new ATOM 0 HE1 HIS A 314 6.986 -5.309 5.973 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 -0.294 -13.183 3.374 1.00 15.00 N ATOM 567 CA GLU B 203 0.489 -12.369 4.335 1.00 15.00 C ATOM 568 C GLU B 203 0.247 -12.795 5.786 1.00 15.00 C ATOM 569 O GLU B 203 1.037 -12.449 6.663 1.00 15.00 O ATOM 570 CB GLU B 203 0.197 -10.866 4.170 1.00 15.00 C ATOM 571 CG GLU B 203 -1.177 -10.527 3.593 1.00 15.00 C ATOM 572 CD GLU B 203 -2.323 -11.215 4.308 1.00 15.00 C ATOM 573 OE1 GLU B 203 -2.805 -10.683 5.314 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -2.725 -12.310 3.864 1.00 15.00 O ATOM 0 HA GLU B 203 1.539 -12.548 4.104 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.293 -10.385 5.144 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.961 -10.433 3.524 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -1.326 -9.448 3.641 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -1.198 -10.805 2.539 1.00 15.00 H new ATOM 583 N LEU B 204 -0.844 -13.534 6.033 1.00 15.00 N ATOM 584 CA LEU B 204 -1.179 -14.023 7.381 1.00 15.00 C ATOM 585 C LEU B 204 -1.489 -12.870 8.338 1.00 15.00 C ATOM 586 O LEU B 204 -1.493 -13.046 9.558 1.00 15.00 O ATOM 587 CB LEU B 204 -0.045 -14.893 7.956 1.00 15.00 C ATOM 588 CG LEU B 204 0.034 -16.336 7.430 1.00 15.00 C ATOM 589 CD1 LEU B 204 -1.294 -17.050 7.624 1.00 15.00 C ATOM 590 CD2 LEU B 204 0.453 -16.369 5.968 1.00 15.00 C ATOM 0 H LEU B 204 -1.513 -13.808 5.314 1.00 15.00 H new ATOM 0 HA LEU B 204 -2.075 -14.636 7.283 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.905 -14.400 7.749 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.156 -14.928 9.040 1.00 15.00 H new ATOM 0 HG LEU B 204 0.796 -16.860 8.007 1.00 15.00 H new ATOM 0 HD11 LEU B 204 -1.218 -18.069 7.246 1.00 15.00 H new ATOM 0 HD12 LEU B 204 -1.542 -17.074 8.685 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -2.075 -16.519 7.081 1.00 15.00 H new ATOM 0 HD21 LEU B 204 0.500 -17.403 5.626 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -0.274 -15.821 5.369 1.00 15.00 H new ATOM 0 HD23 LEU B 204 1.434 -15.907 5.860 1.00 15.00 H new ATOM 602 N GLU B 205 -1.803 -11.711 7.779 1.00 15.00 N ATOM 603 CA GLU B 205 -2.086 -10.526 8.571 1.00 15.00 C ATOM 604 C GLU B 205 -3.581 -10.237 8.565 1.00 15.00 C ATOM 605 O GLU B 205 -4.360 -10.988 7.978 1.00 15.00 O ATOM 606 CB GLU B 205 -1.321 -9.319 8.016 1.00 15.00 C ATOM 607 CG GLU B 205 0.190 -9.501 7.994 1.00 15.00 C ATOM 608 CD GLU B 205 0.798 -9.567 9.382 1.00 15.00 C ATOM 609 OE1 GLU B 205 0.633 -10.595 10.072 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 1.439 -8.579 9.796 1.00 15.00 O ATOM 0 H GLU B 205 -1.868 -11.567 6.771 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.762 -10.708 9.596 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.667 -9.117 7.002 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -1.562 -8.442 8.616 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.433 -10.416 7.453 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.642 -8.676 7.444 1.00 15.00 H new ATOM 617 N SER B 206 -3.985 -9.177 9.248 1.00 15.00 N ATOM 618 CA SER B 206 -5.357 -8.702 9.170 1.00 15.00 C ATOM 619 C SER B 206 -5.671 -8.319 7.727 1.00 15.00 C ATOM 620 O SER B 206 -4.828 -7.730 7.063 1.00 15.00 O ATOM 621 CB SER B 206 -5.526 -7.495 10.091 1.00 15.00 C ATOM 622 OG SER B 206 -4.455 -6.579 9.923 1.00 15.00 O ATOM 0 H SER B 206 -3.382 -8.630 9.862 1.00 15.00 H new ATOM 0 HA SER B 206 -6.045 -9.486 9.487 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.472 -6.998 9.877 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.568 -7.827 11.129 1.00 15.00 H new ATOM 0 HG SER B 206 -4.583 -5.813 10.520 1.00 15.00 H new ATOM 628 N PRO B 207 -6.872 -8.643 7.220 1.00 15.00 N ATOM 629 CA PRO B 207 -7.237 -8.346 5.830 1.00 15.00 C ATOM 630 C PRO B 207 -7.000 -6.877 5.465 1.00 15.00 C ATOM 631 O PRO B 207 -7.584 -5.972 6.067 1.00 15.00 O ATOM 632 CB PRO B 207 -8.725 -8.682 5.773 1.00 15.00 C ATOM 633 CG PRO B 207 -8.932 -9.682 6.858 1.00 15.00 C ATOM 634 CD PRO B 207 -7.957 -9.324 7.946 1.00 15.00 C ATOM 0 HA PRO B 207 -6.634 -8.912 5.121 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.337 -7.794 5.931 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.001 -9.090 4.801 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.957 -9.650 7.227 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.756 -10.694 6.494 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.410 -8.673 8.694 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.596 -10.209 8.470 1.00 15.00 H new ATOM 642 N PRO B 208 -6.134 -6.635 4.467 1.00 15.00 N ATOM 643 CA PRO B 208 -5.730 -5.282 4.059 1.00 15.00 C ATOM 644 C PRO B 208 -6.858 -4.494 3.377 1.00 15.00 C ATOM 645 O PRO B 208 -7.817 -5.078 2.871 1.00 15.00 O ATOM 646 CB PRO B 208 -4.588 -5.543 3.070 1.00 15.00 C ATOM 647 CG PRO B 208 -4.829 -6.915 2.550 1.00 15.00 C ATOM 648 CD PRO B 208 -5.454 -7.677 3.680 1.00 15.00 C ATOM 0 HA PRO B 208 -5.450 -4.671 4.917 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.590 -4.810 2.263 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.618 -5.473 3.561 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.487 -6.894 1.682 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.897 -7.382 2.232 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.156 -8.428 3.317 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.705 -8.202 4.273 1.00 15.00 H new ATOM 656 N PRO B 209 -6.734 -3.153 3.331 1.00 15.00 N ATOM 657 CA PRO B 209 -7.734 -2.268 2.712 1.00 15.00 C ATOM 658 C PRO B 209 -7.802 -2.432 1.194 1.00 15.00 C ATOM 659 O PRO B 209 -6.776 -2.599 0.538 1.00 15.00 O ATOM 660 CB PRO B 209 -7.232 -0.854 3.050 1.00 15.00 C ATOM 661 CG PRO B 209 -6.199 -1.035 4.107 1.00 15.00 C ATOM 662 CD PRO B 209 -5.604 -2.390 3.873 1.00 15.00 C ATOM 0 HA PRO B 209 -8.736 -2.488 3.080 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.811 -0.367 2.170 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.048 -0.223 3.404 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.437 -0.258 4.045 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.642 -0.969 5.101 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.770 -2.350 3.172 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.224 -2.830 4.795 1.00 15.00 H new ATOM 670 N PRO B 210 -9.012 -2.365 0.616 1.00 15.00 N ATOM 671 CA PRO B 210 -9.200 -2.417 -0.839 1.00 15.00 C ATOM 672 C PRO B 210 -8.533 -1.227 -1.530 1.00 15.00 C ATOM 673 O PRO B 210 -8.581 -0.103 -1.022 1.00 15.00 O ATOM 674 CB PRO B 210 -10.724 -2.351 -1.013 1.00 15.00 C ATOM 675 CG PRO B 210 -11.290 -2.700 0.322 1.00 15.00 C ATOM 676 CD PRO B 210 -10.288 -2.224 1.332 1.00 15.00 C ATOM 0 HA PRO B 210 -8.755 -3.308 -1.282 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.041 -1.356 -1.326 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.063 -3.049 -1.778 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.256 -2.219 0.474 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.452 -3.774 0.409 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.473 -1.192 1.630 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.311 -2.827 2.240 1.00 15.00 H new ATOM 684 N TYR B 211 -7.938 -1.473 -2.695 1.00 15.00 N ATOM 685 CA TYR B 211 -7.208 -0.438 -3.423 1.00 15.00 C ATOM 686 C TYR B 211 -8.111 0.741 -3.784 1.00 15.00 C ATOM 687 O TYR B 211 -8.936 0.665 -4.698 1.00 15.00 O ATOM 688 CB TYR B 211 -6.539 -1.030 -4.685 1.00 15.00 C ATOM 689 CG TYR B 211 -6.104 -0.006 -5.732 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.581 1.230 -5.369 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.234 -0.277 -7.092 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.212 2.162 -6.322 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.856 0.656 -8.044 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.356 1.861 -7.655 1.00 15.00 C ATOM 695 OH TYR B 211 -5.018 2.773 -8.620 1.00 15.00 O ATOM 0 H TYR B 211 -7.947 -2.383 -3.156 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.427 -0.058 -2.765 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.666 -1.605 -4.378 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.233 -1.729 -5.151 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.460 1.467 -4.322 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.635 -1.228 -7.409 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.814 3.119 -6.021 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.958 0.427 -9.095 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.119 3.119 -8.442 1.00 15.00 H new ATOM 705 N SER B 212 -7.967 1.813 -3.018 1.00 15.00 N ATOM 706 CA SER B 212 -8.553 3.094 -3.354 1.00 15.00 C ATOM 707 C SER B 212 -7.514 3.873 -4.144 1.00 15.00 C ATOM 708 O SER B 212 -6.356 3.948 -3.730 1.00 15.00 O ATOM 709 CB SER B 212 -8.952 3.851 -2.078 1.00 15.00 C ATOM 710 OG SER B 212 -9.649 5.054 -2.376 1.00 15.00 O ATOM 0 H SER B 212 -7.439 1.815 -2.145 1.00 15.00 H new ATOM 0 HA SER B 212 -9.458 2.962 -3.947 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.579 3.212 -1.457 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.059 4.082 -1.498 1.00 15.00 H new ATOM 0 HG SER B 212 -9.889 5.508 -1.542 1.00 15.00 H new ATOM 716 N ARG B 213 -7.922 4.451 -5.265 1.00 15.00 N ATOM 717 CA ARG B 213 -6.976 5.054 -6.196 1.00 15.00 C ATOM 718 C ARG B 213 -6.182 6.168 -5.531 1.00 15.00 C ATOM 719 O ARG B 213 -4.953 6.185 -5.596 1.00 15.00 O ATOM 720 CB ARG B 213 -7.714 5.588 -7.420 1.00 15.00 C ATOM 721 CG ARG B 213 -8.325 4.497 -8.279 1.00 15.00 C ATOM 722 CD ARG B 213 -9.361 5.063 -9.230 1.00 15.00 C ATOM 723 NE ARG B 213 -10.489 5.647 -8.505 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.352 6.512 -9.031 1.00 15.00 C ATOM 725 NH1 ARG B 213 -11.213 6.919 -10.289 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.353 6.979 -8.297 1.00 15.00 N ATOM 0 H ARG B 213 -8.899 4.516 -5.552 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.272 4.283 -6.511 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.502 6.266 -7.093 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.022 6.172 -8.026 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -7.541 3.996 -8.847 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.787 3.744 -7.641 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.900 5.822 -9.862 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.720 4.274 -9.890 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.623 5.373 -7.532 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -10.441 6.568 -10.856 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -11.878 7.582 -10.687 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.461 6.675 -7.329 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.015 7.642 -8.700 1.00 15.00 H new ATOM 740 N TYR B 214 -6.880 7.105 -4.917 1.00 15.00 N ATOM 741 CA TYR B 214 -6.226 8.170 -4.175 1.00 15.00 C ATOM 742 C TYR B 214 -6.666 8.127 -2.721 1.00 15.00 C ATOM 743 O TYR B 214 -7.686 8.711 -2.348 1.00 15.00 O ATOM 744 CB TYR B 214 -6.496 9.541 -4.811 1.00 15.00 C ATOM 745 CG TYR B 214 -5.783 9.730 -6.135 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.038 8.883 -7.208 1.00 15.00 C ATOM 747 CD2 TYR B 214 -4.849 10.743 -6.312 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.387 9.034 -8.412 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.194 10.905 -7.520 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.467 10.047 -8.565 1.00 15.00 C ATOM 751 OH TYR B 214 -3.820 10.202 -9.768 1.00 15.00 O ATOM 0 H TYR B 214 -7.899 7.152 -4.916 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.148 8.015 -4.213 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.569 9.660 -4.962 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.182 10.324 -4.121 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.762 8.090 -7.095 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.631 11.414 -5.494 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.597 8.362 -9.231 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.473 11.699 -7.644 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.204 10.962 -9.713 1.00 15.00 H new ATOM 761 N PRO B 215 -5.931 7.372 -1.894 1.00 15.00 N ATOM 762 CA PRO B 215 -6.274 7.167 -0.495 1.00 15.00 C ATOM 763 C PRO B 215 -5.785 8.301 0.396 1.00 15.00 C ATOM 764 O PRO B 215 -4.604 8.655 0.390 1.00 15.00 O ATOM 765 CB PRO B 215 -5.557 5.860 -0.156 1.00 15.00 C ATOM 766 CG PRO B 215 -4.353 5.846 -1.037 1.00 15.00 C ATOM 767 CD PRO B 215 -4.698 6.651 -2.267 1.00 15.00 C ATOM 0 HA PRO B 215 -7.351 7.135 -0.333 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.277 5.824 0.897 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.196 4.998 -0.346 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.494 6.276 -0.523 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.084 4.825 -1.307 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -3.896 7.342 -2.529 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.859 6.007 -3.132 1.00 15.00 H new ATOM 775 N MET B 216 -6.703 8.876 1.155 1.00 15.00 N ATOM 776 CA MET B 216 -6.358 9.939 2.082 1.00 15.00 C ATOM 777 C MET B 216 -6.722 9.549 3.509 1.00 15.00 C ATOM 778 O MET B 216 -7.894 9.559 3.895 1.00 15.00 O ATOM 779 CB MET B 216 -7.032 11.262 1.689 1.00 15.00 C ATOM 780 CG MET B 216 -8.527 11.150 1.433 1.00 15.00 C ATOM 781 SD MET B 216 -9.308 12.754 1.168 1.00 15.00 S ATOM 782 CE MET B 216 -9.173 13.473 2.804 1.00 15.00 C ATOM 0 H MET B 216 -7.691 8.624 1.147 1.00 15.00 H new ATOM 0 HA MET B 216 -5.279 10.088 2.032 1.00 15.00 H new ATOM 0 HB2 MET B 216 -6.864 11.991 2.482 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.549 11.650 0.792 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.696 10.519 0.560 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.001 10.655 2.281 1.00 15.00 H new ATOM 0 HE1 MET B 216 -9.897 14.281 2.907 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.373 12.709 3.555 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.167 13.867 2.946 1.00 15.00 H new ATOM 792 N ASP B 217 -5.711 9.155 4.265 1.00 15.00 N ATOM 793 CA ASP B 217 -5.882 8.842 5.675 1.00 15.00 C ATOM 794 C ASP B 217 -5.574 10.078 6.506 1.00 15.00 C ATOM 795 O ASP B 217 -4.422 10.221 6.964 1.00 15.00 O ATOM 796 CB ASP B 217 -4.968 7.684 6.102 1.00 15.00 C ATOM 797 CG ASP B 217 -5.356 6.354 5.483 1.00 15.00 C ATOM 798 OD1 ASP B 217 -6.197 5.642 6.077 1.00 15.00 O1- ATOM 799 OD2 ASP B 217 -4.815 6.017 4.407 1.00 15.00 O ATOM 800 OXT ASP B 217 -6.475 10.928 6.657 1.00 15.00 O ATOM 0 H ASP B 217 -4.756 9.044 3.923 1.00 15.00 H new ATOM 0 HA ASP B 217 -6.914 8.533 5.839 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -3.941 7.920 5.825 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -4.992 7.592 7.188 1.00 15.00 H new TER 805 ASP B 217