USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 301 HIS : no HD1:sc= 0.122 K(o=-1,f=-10!) USER MOD Set 1.2: B 211 TYR OH : rot -67:sc= -1.15 USER MOD Single : A 290 SER OG : rot 180:sc= -0.262 USER MOD Single : A 291 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 293 SER OG : rot -28:sc= 0.137 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 303 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 305 THR OG1 : rot 180:sc=-0.00316 USER MOD Single : A 306 THR OG1 : rot -167:sc= 1.1 USER MOD Single : A 307 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.42) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HD1:sc= 0 X(o=0,f=-0.41) 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 -162:sc= -0.0585 (180deg=-0.502) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 15.469 6.526 0.069 1.00 15.00 N ATOM 2 CA GLY A 280 15.453 5.607 -1.088 1.00 15.00 C ATOM 3 C GLY A 280 14.417 6.020 -2.112 1.00 15.00 C ATOM 4 O GLY A 280 13.229 6.074 -1.796 1.00 15.00 O ATOM 0 HA2 GLY A 280 16.439 5.589 -1.553 1.00 15.00 H new ATOM 0 HA3 GLY A 280 15.244 4.593 -0.746 1.00 15.00 H new ATOM 10 N PRO A 281 14.846 6.334 -3.345 1.00 15.00 N ATOM 11 CA PRO A 281 13.940 6.737 -4.427 1.00 15.00 C ATOM 12 C PRO A 281 12.886 5.674 -4.718 1.00 15.00 C ATOM 13 O PRO A 281 13.213 4.518 -5.001 1.00 15.00 O ATOM 14 CB PRO A 281 14.872 6.915 -5.629 1.00 15.00 C ATOM 15 CG PRO A 281 16.215 7.144 -5.039 1.00 15.00 C ATOM 16 CD PRO A 281 16.250 6.323 -3.785 1.00 15.00 C ATOM 0 HA PRO A 281 13.378 7.636 -4.176 1.00 15.00 H new ATOM 0 HB2 PRO A 281 14.866 6.032 -6.268 1.00 15.00 H new ATOM 0 HB3 PRO A 281 14.563 7.758 -6.247 1.00 15.00 H new ATOM 0 HG2 PRO A 281 17.003 6.840 -5.728 1.00 15.00 H new ATOM 0 HG3 PRO A 281 16.372 8.200 -4.820 1.00 15.00 H new ATOM 0 HD2 PRO A 281 16.606 5.310 -3.975 1.00 15.00 H new ATOM 0 HD3 PRO A 281 16.912 6.758 -3.036 1.00 15.00 H new ATOM 24 N LEU A 282 11.627 6.068 -4.641 1.00 15.00 N ATOM 25 CA LEU A 282 10.524 5.149 -4.851 1.00 15.00 C ATOM 26 C LEU A 282 9.754 5.534 -6.111 1.00 15.00 C ATOM 27 O LEU A 282 9.382 6.697 -6.282 1.00 15.00 O ATOM 28 CB LEU A 282 9.594 5.171 -3.632 1.00 15.00 C ATOM 29 CG LEU A 282 8.496 4.105 -3.618 1.00 15.00 C ATOM 30 CD1 LEU A 282 9.099 2.711 -3.541 1.00 15.00 C ATOM 31 CD2 LEU A 282 7.548 4.341 -2.453 1.00 15.00 C ATOM 0 H LEU A 282 11.343 7.025 -4.433 1.00 15.00 H new ATOM 0 HA LEU A 282 10.917 4.140 -4.979 1.00 15.00 H new ATOM 0 HB2 LEU A 282 10.200 5.055 -2.733 1.00 15.00 H new ATOM 0 HB3 LEU A 282 9.123 6.152 -3.574 1.00 15.00 H new ATOM 0 HG LEU A 282 7.932 4.180 -4.548 1.00 15.00 H new ATOM 0 HD11 LEU A 282 8.300 1.969 -3.532 1.00 15.00 H new ATOM 0 HD12 LEU A 282 9.740 2.544 -4.406 1.00 15.00 H new ATOM 0 HD13 LEU A 282 9.689 2.620 -2.629 1.00 15.00 H new ATOM 0 HD21 LEU A 282 6.772 3.576 -2.455 1.00 15.00 H new ATOM 0 HD22 LEU A 282 8.103 4.292 -1.516 1.00 15.00 H new ATOM 0 HD23 LEU A 282 7.088 5.324 -2.552 1.00 15.00 H new ATOM 43 N PRO A 283 9.540 4.569 -7.022 1.00 15.00 N ATOM 44 CA PRO A 283 8.738 4.776 -8.233 1.00 15.00 C ATOM 45 C PRO A 283 7.395 5.442 -7.928 1.00 15.00 C ATOM 46 O PRO A 283 6.686 5.027 -7.010 1.00 15.00 O ATOM 47 CB PRO A 283 8.522 3.354 -8.752 1.00 15.00 C ATOM 48 CG PRO A 283 9.715 2.601 -8.282 1.00 15.00 C ATOM 49 CD PRO A 283 10.082 3.197 -6.949 1.00 15.00 C ATOM 0 HA PRO A 283 9.230 5.438 -8.946 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.601 2.924 -8.359 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.444 3.336 -9.839 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.493 1.538 -8.187 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.538 2.692 -8.990 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.643 2.636 -6.124 1.00 15.00 H new ATOM 0 HD3 PRO A 283 11.161 3.200 -6.794 1.00 15.00 H new ATOM 57 N PRO A 284 7.019 6.467 -8.718 1.00 15.00 N ATOM 58 CA PRO A 284 5.794 7.254 -8.490 1.00 15.00 C ATOM 59 C PRO A 284 4.507 6.456 -8.714 1.00 15.00 C ATOM 60 O PRO A 284 3.406 7.005 -8.656 1.00 15.00 O ATOM 61 CB PRO A 284 5.901 8.388 -9.515 1.00 15.00 C ATOM 62 CG PRO A 284 6.789 7.855 -10.585 1.00 15.00 C ATOM 63 CD PRO A 284 7.765 6.941 -9.899 1.00 15.00 C ATOM 0 HA PRO A 284 5.730 7.590 -7.455 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.922 8.656 -9.911 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.320 9.288 -9.066 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.213 7.316 -11.337 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.308 8.664 -11.100 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.063 6.115 -10.544 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.676 7.467 -9.614 1.00 15.00 H new ATOM 71 N GLY A 285 4.653 5.167 -8.985 1.00 15.00 N ATOM 72 CA GLY A 285 3.503 4.295 -9.101 1.00 15.00 C ATOM 73 C GLY A 285 3.077 3.756 -7.751 1.00 15.00 C ATOM 74 O GLY A 285 1.979 3.215 -7.600 1.00 15.00 O ATOM 0 H GLY A 285 5.553 4.708 -9.127 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.675 4.841 -9.554 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.740 3.465 -9.767 1.00 15.00 H new ATOM 78 N TRP A 286 3.963 3.899 -6.773 1.00 15.00 N ATOM 79 CA TRP A 286 3.720 3.408 -5.425 1.00 15.00 C ATOM 80 C TRP A 286 3.045 4.468 -4.564 1.00 15.00 C ATOM 81 O TRP A 286 3.682 5.447 -4.167 1.00 15.00 O ATOM 82 CB TRP A 286 5.038 2.943 -4.778 1.00 15.00 C ATOM 83 CG TRP A 286 5.423 1.562 -5.203 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.672 1.142 -6.478 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.568 0.409 -4.361 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.933 -0.204 -6.490 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.871 -0.679 -5.209 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.464 0.173 -2.979 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.056 -1.972 -4.729 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.644 -1.115 -2.518 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.928 -2.172 -3.385 1.00 15.00 C ATOM 0 H TRP A 286 4.867 4.357 -6.893 1.00 15.00 H new ATOM 0 HA TRP A 286 3.044 2.555 -5.494 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.835 3.638 -5.043 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.938 2.972 -3.693 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.664 1.778 -7.351 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.140 -0.761 -7.319 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.248 0.980 -2.295 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.292 -2.788 -5.396 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.563 -1.311 -1.459 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.049 -3.168 -2.984 1.00 15.00 H new ATOM 102 N GLU A 287 1.754 4.286 -4.293 1.00 15.00 N ATOM 103 CA GLU A 287 1.048 5.176 -3.387 1.00 15.00 C ATOM 104 C GLU A 287 1.169 4.626 -1.973 1.00 15.00 C ATOM 105 O GLU A 287 0.627 3.558 -1.660 1.00 15.00 O ATOM 106 CB GLU A 287 -0.431 5.309 -3.769 1.00 15.00 C ATOM 107 CG GLU A 287 -0.881 6.730 -4.089 1.00 15.00 C ATOM 108 CD GLU A 287 -0.271 7.291 -5.362 1.00 15.00 C ATOM 109 OE1 GLU A 287 0.850 7.835 -5.298 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.927 7.201 -6.428 1.00 15.00 O ATOM 0 H GLU A 287 1.184 3.537 -4.686 1.00 15.00 H new ATOM 0 HA GLU A 287 1.495 6.168 -3.450 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.627 4.677 -4.635 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.040 4.925 -2.950 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -1.967 6.746 -4.179 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -0.621 7.381 -3.254 1.00 15.00 H new ATOM 117 N VAL A 288 1.911 5.332 -1.131 1.00 15.00 N ATOM 118 CA VAL A 288 2.171 4.870 0.220 1.00 15.00 C ATOM 119 C VAL A 288 1.188 5.497 1.211 1.00 15.00 C ATOM 120 O VAL A 288 1.017 6.716 1.262 1.00 15.00 O ATOM 121 CB VAL A 288 3.637 5.148 0.642 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.923 6.638 0.778 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.982 4.402 1.922 1.00 15.00 C ATOM 0 H VAL A 288 2.342 6.227 -1.362 1.00 15.00 H new ATOM 0 HA VAL A 288 2.024 3.790 0.233 1.00 15.00 H new ATOM 0 HB VAL A 288 4.280 4.775 -0.155 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.962 6.784 1.075 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.747 7.131 -0.178 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.266 7.067 1.534 1.00 15.00 H new ATOM 0 HG21 VAL A 288 5.015 4.612 2.198 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.318 4.728 2.723 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.860 3.331 1.763 1.00 15.00 H new ATOM 133 N ARG A 289 0.522 4.647 1.974 1.00 15.00 N ATOM 134 CA ARG A 289 -0.475 5.084 2.938 1.00 15.00 C ATOM 135 C ARG A 289 -0.387 4.249 4.211 1.00 15.00 C ATOM 136 O ARG A 289 0.004 3.084 4.166 1.00 15.00 O ATOM 137 CB ARG A 289 -1.871 4.994 2.313 1.00 15.00 C ATOM 138 CG ARG A 289 -2.308 6.267 1.602 1.00 15.00 C ATOM 139 CD ARG A 289 -2.327 7.458 2.551 1.00 15.00 C ATOM 140 NE ARG A 289 -2.806 8.677 1.896 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.518 9.915 2.307 1.00 15.00 C ATOM 142 NH1 ARG A 289 -1.775 10.104 3.391 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.987 10.963 1.638 1.00 15.00 N ATOM 0 H ARG A 289 0.656 3.636 1.943 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.283 6.122 3.208 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -1.888 4.168 1.602 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.594 4.758 3.094 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.631 6.472 0.772 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.301 6.124 1.176 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.966 7.231 3.404 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.323 7.627 2.940 1.00 15.00 H new ATOM 0 HE ARG A 289 -3.398 8.574 1.072 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -1.422 9.302 3.913 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -1.557 11.051 3.701 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -3.567 10.822 0.811 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.767 11.908 1.952 1.00 15.00 H new ATOM 157 N SER A 290 -0.734 4.846 5.344 1.00 15.00 N ATOM 158 CA SER A 290 -0.662 4.157 6.627 1.00 15.00 C ATOM 159 C SER A 290 -2.008 4.203 7.346 1.00 15.00 C ATOM 160 O SER A 290 -2.638 5.256 7.432 1.00 15.00 O ATOM 161 CB SER A 290 0.414 4.805 7.497 1.00 15.00 C ATOM 162 OG SER A 290 1.601 5.019 6.754 1.00 15.00 O ATOM 0 H SER A 290 -1.069 5.808 5.401 1.00 15.00 H new ATOM 0 HA SER A 290 -0.406 3.113 6.446 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.048 5.754 7.888 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.627 4.167 8.355 1.00 15.00 H new ATOM 0 HG SER A 290 2.276 5.436 7.329 1.00 15.00 H new ATOM 168 N THR A 291 -2.435 3.065 7.874 1.00 15.00 N ATOM 169 CA THR A 291 -3.679 2.984 8.629 1.00 15.00 C ATOM 170 C THR A 291 -3.426 3.217 10.116 1.00 15.00 C ATOM 171 O THR A 291 -2.351 2.884 10.628 1.00 15.00 O ATOM 172 CB THR A 291 -4.367 1.619 8.442 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.378 0.584 8.358 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.240 1.610 7.195 1.00 15.00 C ATOM 0 H THR A 291 -1.935 2.179 7.793 1.00 15.00 H new ATOM 0 HA THR A 291 -4.337 3.763 8.244 1.00 15.00 H new ATOM 0 HB THR A 291 -5.009 1.438 9.304 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.820 -0.283 8.241 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.713 0.634 7.089 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.009 2.378 7.283 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.624 1.812 6.318 1.00 15.00 H new ATOM 182 N VAL A 292 -4.426 3.772 10.805 1.00 15.00 N ATOM 183 CA VAL A 292 -4.320 4.073 12.237 1.00 15.00 C ATOM 184 C VAL A 292 -4.084 2.810 13.064 1.00 15.00 C ATOM 185 O VAL A 292 -3.700 2.882 14.229 1.00 15.00 O ATOM 186 CB VAL A 292 -5.572 4.805 12.769 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.719 6.164 12.104 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.823 3.966 12.557 1.00 15.00 C ATOM 0 H VAL A 292 -5.324 4.024 10.392 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.459 4.733 12.344 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.446 4.958 13.841 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.606 6.665 12.491 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.838 6.770 12.317 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.818 6.033 11.026 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.691 4.503 12.940 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.956 3.774 11.492 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.720 3.019 13.087 1.00 15.00 H new ATOM 198 N SER A 293 -4.317 1.656 12.446 1.00 15.00 N ATOM 199 CA SER A 293 -4.015 0.369 13.058 1.00 15.00 C ATOM 200 C SER A 293 -2.514 0.236 13.322 1.00 15.00 C ATOM 201 O SER A 293 -2.078 -0.660 14.044 1.00 15.00 O ATOM 202 CB SER A 293 -4.490 -0.776 12.155 1.00 15.00 C ATOM 203 OG SER A 293 -4.154 -2.045 12.699 1.00 15.00 O ATOM 0 H SER A 293 -4.719 1.588 11.511 1.00 15.00 H new ATOM 0 HA SER A 293 -4.543 0.312 14.010 1.00 15.00 H new ATOM 0 HB2 SER A 293 -5.570 -0.711 12.022 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.040 -0.672 11.168 1.00 15.00 H new ATOM 0 HG SER A 293 -3.351 -1.961 13.254 1.00 15.00 H new ATOM 209 N GLY A 294 -1.733 1.114 12.704 1.00 15.00 N ATOM 210 CA GLY A 294 -0.296 1.058 12.842 1.00 15.00 C ATOM 211 C GLY A 294 0.329 0.191 11.779 1.00 15.00 C ATOM 212 O GLY A 294 1.359 -0.445 12.005 1.00 15.00 O ATOM 0 H GLY A 294 -2.075 1.867 12.107 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.116 2.065 12.780 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.039 0.669 13.827 1.00 15.00 H new ATOM 216 N ARG A 295 -0.292 0.164 10.610 1.00 15.00 N ATOM 217 CA ARG A 295 0.213 -0.635 9.503 1.00 15.00 C ATOM 218 C ARG A 295 0.455 0.247 8.289 1.00 15.00 C ATOM 219 O ARG A 295 -0.324 1.160 8.008 1.00 15.00 O ATOM 220 CB ARG A 295 -0.769 -1.747 9.110 1.00 15.00 C ATOM 221 CG ARG A 295 -1.236 -2.623 10.261 1.00 15.00 C ATOM 222 CD ARG A 295 -1.645 -4.009 9.777 1.00 15.00 C ATOM 223 NE ARG A 295 -2.494 -4.700 10.746 1.00 15.00 N ATOM 224 CZ ARG A 295 -2.243 -5.921 11.209 1.00 15.00 C ATOM 225 NH1 ARG A 295 -1.119 -6.533 10.869 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -3.104 -6.514 12.027 1.00 15.00 N ATOM 0 H ARG A 295 -1.144 0.685 10.403 1.00 15.00 H new ATOM 0 HA ARG A 295 1.146 -1.091 9.835 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.642 -1.292 8.641 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.297 -2.380 8.359 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.438 -2.714 10.997 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -2.079 -2.148 10.762 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -2.176 -3.920 8.829 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -0.752 -4.605 9.588 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.326 -4.218 11.086 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -0.451 -6.068 10.255 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -0.922 -7.470 11.221 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -3.960 -6.033 12.302 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -2.909 -7.451 12.381 1.00 15.00 H new ATOM 240 N ILE A 296 1.516 -0.048 7.559 1.00 15.00 N ATOM 241 CA ILE A 296 1.750 0.583 6.274 1.00 15.00 C ATOM 242 C ILE A 296 1.069 -0.277 5.216 1.00 15.00 C ATOM 243 O ILE A 296 0.990 -1.498 5.374 1.00 15.00 O ATOM 244 CB ILE A 296 3.267 0.717 5.973 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.518 1.621 4.763 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.905 -0.646 5.755 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.222 3.075 5.030 1.00 15.00 C ATOM 0 H ILE A 296 2.230 -0.722 7.836 1.00 15.00 H new ATOM 0 HA ILE A 296 1.341 1.594 6.276 1.00 15.00 H new ATOM 0 HB ILE A 296 3.731 1.179 6.844 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.558 1.521 4.453 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.903 1.280 3.930 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.967 -0.521 5.546 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.780 -1.254 6.651 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.425 -1.142 4.911 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.421 3.658 4.131 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.175 3.188 5.311 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.856 3.432 5.842 1.00 15.00 H new ATOM 259 N TYR A 297 0.541 0.331 4.170 1.00 15.00 N ATOM 260 CA TYR A 297 -0.249 -0.423 3.220 1.00 15.00 C ATOM 261 C TYR A 297 -0.130 0.194 1.854 1.00 15.00 C ATOM 262 O TYR A 297 -0.302 1.404 1.674 1.00 15.00 O ATOM 263 CB TYR A 297 -1.722 -0.566 3.662 1.00 15.00 C ATOM 264 CG TYR A 297 -2.599 0.661 3.495 1.00 15.00 C ATOM 265 CD1 TYR A 297 -2.725 1.598 4.513 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.334 0.862 2.328 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.551 2.699 4.372 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.156 1.962 2.181 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.263 2.876 3.205 1.00 15.00 C ATOM 270 OH TYR A 297 -5.085 3.972 3.062 1.00 15.00 O ATOM 0 H TYR A 297 0.642 1.324 3.960 1.00 15.00 H new ATOM 0 HA TYR A 297 0.149 -1.437 3.179 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.170 -1.385 3.099 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.737 -0.856 4.713 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.169 1.465 5.429 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.259 0.145 1.524 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -3.638 3.417 5.174 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -4.713 2.105 1.267 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.513 3.947 2.181 1.00 15.00 H new ATOM 280 N PHE A 298 0.198 -0.638 0.908 1.00 15.00 N ATOM 281 CA PHE A 298 0.411 -0.201 -0.431 1.00 15.00 C ATOM 282 C PHE A 298 -0.758 -0.411 -1.329 1.00 15.00 C ATOM 283 O PHE A 298 -1.505 -1.374 -1.206 1.00 15.00 O ATOM 284 CB PHE A 298 1.604 -0.902 -0.999 1.00 15.00 C ATOM 285 CG PHE A 298 2.809 -0.118 -0.734 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.889 1.158 -1.243 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.851 -0.633 0.005 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.992 1.920 -1.028 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.973 0.124 0.216 1.00 15.00 C ATOM 290 CZ PHE A 298 5.034 1.400 -0.308 1.00 15.00 C ATOM 0 H PHE A 298 0.324 -1.640 1.049 1.00 15.00 H new ATOM 0 HA PHE A 298 0.572 0.876 -0.381 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.699 -1.894 -0.557 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.478 -1.042 -2.073 1.00 15.00 H new ATOM 0 HD1 PHE A 298 2.067 1.557 -1.819 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.784 -1.629 0.416 1.00 15.00 H new ATOM 0 HE1 PHE A 298 4.047 2.925 -1.420 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.800 -0.273 0.786 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.919 1.998 -0.147 1.00 15.00 H new ATOM 300 N VAL A 299 -0.861 0.501 -2.264 1.00 15.00 N ATOM 301 CA VAL A 299 -1.809 0.395 -3.339 1.00 15.00 C ATOM 302 C VAL A 299 -1.125 0.845 -4.632 1.00 15.00 C ATOM 303 O VAL A 299 -0.747 2.015 -4.794 1.00 15.00 O ATOM 304 CB VAL A 299 -3.113 1.196 -3.063 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.848 0.646 -1.845 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.829 2.672 -2.862 1.00 15.00 C ATOM 0 H VAL A 299 -0.285 1.342 -2.298 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.124 -0.644 -3.434 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.747 1.082 -3.942 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.756 1.225 -1.676 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.110 -0.398 -2.019 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.204 0.717 -0.969 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.764 3.200 -2.672 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.160 2.801 -2.012 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.360 3.078 -3.758 1.00 15.00 H new ATOM 316 N ASP A 300 -0.879 -0.112 -5.511 1.00 15.00 N ATOM 317 CA ASP A 300 -0.226 0.174 -6.778 1.00 15.00 C ATOM 318 C ASP A 300 -1.277 0.268 -7.868 1.00 15.00 C ATOM 319 O ASP A 300 -2.273 -0.463 -7.831 1.00 15.00 O ATOM 320 CB ASP A 300 0.807 -0.908 -7.113 1.00 15.00 C ATOM 321 CG ASP A 300 0.255 -2.012 -7.992 1.00 15.00 C ATOM 322 OD1 ASP A 300 -0.522 -2.850 -7.489 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.592 -2.035 -9.198 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.121 -1.093 -5.371 1.00 15.00 H new ATOM 0 HA ASP A 300 0.303 1.124 -6.704 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.658 -0.446 -7.614 1.00 15.00 H new ATOM 0 HB3 ASP A 300 1.180 -1.343 -6.186 1.00 15.00 H new ATOM 328 N HIS A 301 -1.037 1.153 -8.837 1.00 15.00 N ATOM 329 CA HIS A 301 -2.022 1.463 -9.873 1.00 15.00 C ATOM 330 C HIS A 301 -2.030 0.447 -11.012 1.00 15.00 C ATOM 331 O HIS A 301 -2.992 0.386 -11.777 1.00 15.00 O ATOM 332 CB HIS A 301 -1.768 2.847 -10.483 1.00 15.00 C ATOM 333 CG HIS A 301 -2.084 4.011 -9.597 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.359 4.514 -9.443 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.277 4.805 -8.854 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.321 5.576 -8.651 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.068 5.768 -8.278 1.00 15.00 N ATOM 0 H HIS A 301 -0.163 1.671 -8.925 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.988 1.434 -9.368 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.720 2.909 -10.775 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.358 2.936 -11.395 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.209 4.700 -8.736 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.168 6.180 -8.361 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -1.741 6.512 -7.661 1.00 15.00 H new ATOM 346 N ASN A 302 -0.962 -0.325 -11.157 1.00 15.00 N ATOM 347 CA ASN A 302 -0.842 -1.202 -12.319 1.00 15.00 C ATOM 348 C ASN A 302 -1.428 -2.572 -12.045 1.00 15.00 C ATOM 349 O ASN A 302 -2.213 -3.082 -12.839 1.00 15.00 O ATOM 350 CB ASN A 302 0.610 -1.305 -12.791 1.00 15.00 C ATOM 351 CG ASN A 302 0.990 -0.139 -13.686 1.00 15.00 C ATOM 352 OD1 ASN A 302 0.151 0.391 -14.415 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.248 0.264 -13.653 1.00 15.00 N ATOM 0 H ASN A 302 -0.181 -0.365 -10.502 1.00 15.00 H new ATOM 0 HA ASN A 302 -1.422 -0.754 -13.126 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.273 -1.332 -11.926 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.752 -2.241 -13.331 1.00 15.00 H new ATOM 0 HD21 ASN A 302 2.551 1.038 -14.244 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.916 -0.199 -13.036 1.00 15.00 H new ATOM 360 N ASN A 303 -1.050 -3.175 -10.933 1.00 15.00 N ATOM 361 CA ASN A 303 -1.669 -4.419 -10.507 1.00 15.00 C ATOM 362 C ASN A 303 -2.921 -4.117 -9.700 1.00 15.00 C ATOM 363 O ASN A 303 -3.743 -5.001 -9.450 1.00 15.00 O ATOM 364 CB ASN A 303 -0.702 -5.277 -9.685 1.00 15.00 C ATOM 365 CG ASN A 303 0.402 -5.893 -10.525 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.453 -5.289 -10.734 1.00 15.00 O ATOM 367 ND2 ASN A 303 0.176 -7.108 -11.004 1.00 15.00 N ATOM 0 H ASN A 303 -0.321 -2.827 -10.310 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.937 -4.988 -11.397 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.256 -4.664 -8.902 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.260 -6.071 -9.189 1.00 15.00 H new ATOM 0 HD21 ASN A 303 0.887 -7.574 -11.568 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.709 -7.577 -10.809 1.00 15.00 H new ATOM 374 N ARG A 304 -3.035 -2.855 -9.277 1.00 15.00 N ATOM 375 CA ARG A 304 -4.171 -2.371 -8.496 1.00 15.00 C ATOM 376 C ARG A 304 -4.347 -3.243 -7.270 1.00 15.00 C ATOM 377 O ARG A 304 -5.423 -3.777 -6.991 1.00 15.00 O ATOM 378 CB ARG A 304 -5.427 -2.296 -9.370 1.00 15.00 C ATOM 379 CG ARG A 304 -5.186 -1.436 -10.597 1.00 15.00 C ATOM 380 CD ARG A 304 -6.417 -1.255 -11.462 1.00 15.00 C ATOM 381 NE ARG A 304 -6.113 -0.394 -12.605 1.00 15.00 N ATOM 382 CZ ARG A 304 -6.951 -0.142 -13.609 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.190 -0.614 -13.585 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.550 0.620 -14.620 1.00 15.00 N ATOM 0 H ARG A 304 -2.336 -2.138 -9.469 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.983 -1.356 -8.146 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.721 -3.300 -9.677 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.254 -1.885 -8.790 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.828 -0.457 -10.279 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.394 -1.886 -11.196 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.769 -2.225 -11.813 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.223 -0.817 -10.873 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.193 0.045 -12.635 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.507 -1.174 -12.794 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -8.826 -0.417 -14.358 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -5.606 1.007 -14.624 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.186 0.818 -15.393 1.00 15.00 H new ATOM 398 N THR A 305 -3.259 -3.351 -6.528 1.00 15.00 N ATOM 399 CA THR A 305 -3.155 -4.331 -5.453 1.00 15.00 C ATOM 400 C THR A 305 -2.758 -3.684 -4.123 1.00 15.00 C ATOM 401 O THR A 305 -2.024 -2.695 -4.096 1.00 15.00 O ATOM 402 CB THR A 305 -2.143 -5.434 -5.841 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.612 -6.114 -7.017 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.940 -6.447 -4.721 1.00 15.00 C ATOM 0 H THR A 305 -2.429 -2.770 -6.649 1.00 15.00 H new ATOM 0 HA THR A 305 -4.140 -4.777 -5.313 1.00 15.00 H new ATOM 0 HB THR A 305 -1.183 -4.953 -6.031 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.973 -6.813 -7.268 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.221 -7.202 -5.039 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.563 -5.938 -3.834 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.891 -6.927 -4.487 1.00 15.00 H new ATOM 412 N THR A 306 -3.273 -4.249 -3.032 1.00 15.00 N ATOM 413 CA THR A 306 -2.982 -3.764 -1.695 1.00 15.00 C ATOM 414 C THR A 306 -2.009 -4.705 -0.976 1.00 15.00 C ATOM 415 O THR A 306 -2.309 -5.884 -0.778 1.00 15.00 O ATOM 416 CB THR A 306 -4.278 -3.653 -0.866 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.305 -3.001 -1.631 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.031 -2.879 0.418 1.00 15.00 C ATOM 0 H THR A 306 -3.901 -5.053 -3.056 1.00 15.00 H new ATOM 0 HA THR A 306 -2.526 -2.779 -1.791 1.00 15.00 H new ATOM 0 HB THR A 306 -4.604 -4.662 -0.612 1.00 15.00 H new ATOM 0 HG1 THR A 306 -6.042 -2.745 -1.038 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.958 -2.813 0.987 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.276 -3.393 1.013 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.681 -1.875 0.176 1.00 15.00 H new ATOM 426 N GLN A 307 -0.850 -4.182 -0.591 1.00 15.00 N ATOM 427 CA GLN A 307 0.167 -4.976 0.102 1.00 15.00 C ATOM 428 C GLN A 307 0.425 -4.435 1.505 1.00 15.00 C ATOM 429 O GLN A 307 0.730 -3.263 1.673 1.00 15.00 O ATOM 430 CB GLN A 307 1.479 -4.983 -0.692 1.00 15.00 C ATOM 431 CG GLN A 307 1.452 -5.875 -1.924 1.00 15.00 C ATOM 432 CD GLN A 307 1.305 -7.344 -1.569 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.196 -7.864 -1.438 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.425 -8.028 -1.419 1.00 15.00 N ATOM 0 H GLN A 307 -0.588 -3.209 -0.746 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.210 -5.995 0.183 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.711 -3.963 -0.999 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.286 -5.310 -0.037 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.626 -5.575 -2.569 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.370 -5.731 -2.494 1.00 15.00 H new ATOM 0 HE21 GLN A 307 3.326 -7.564 -1.535 1.00 15.00 H new ATOM 0 HE22 GLN A 307 2.389 -9.021 -1.187 1.00 15.00 H new ATOM 443 N PHE A 308 0.318 -5.298 2.510 1.00 15.00 N ATOM 444 CA PHE A 308 0.596 -4.898 3.890 1.00 15.00 C ATOM 445 C PHE A 308 2.098 -4.871 4.173 1.00 15.00 C ATOM 446 O PHE A 308 2.531 -4.413 5.230 1.00 15.00 O ATOM 447 CB PHE A 308 -0.103 -5.823 4.891 1.00 15.00 C ATOM 448 CG PHE A 308 -1.325 -5.217 5.531 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.442 -3.846 5.684 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.344 -6.024 6.001 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.553 -3.292 6.292 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.461 -5.479 6.604 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.566 -4.113 6.750 1.00 15.00 C ATOM 0 H PHE A 308 0.043 -6.274 2.399 1.00 15.00 H new ATOM 0 HA PHE A 308 0.201 -3.889 4.012 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.390 -6.743 4.382 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.605 -6.099 5.672 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.655 -3.201 5.323 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.266 -7.096 5.895 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.629 -2.221 6.409 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.251 -6.123 6.961 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.438 -3.685 7.221 1.00 15.00 H new ATOM 463 N THR A 309 2.887 -5.391 3.244 1.00 15.00 N ATOM 464 CA THR A 309 4.330 -5.414 3.413 1.00 15.00 C ATOM 465 C THR A 309 4.976 -4.243 2.670 1.00 15.00 C ATOM 466 O THR A 309 4.470 -3.794 1.642 1.00 15.00 O ATOM 467 CB THR A 309 4.936 -6.757 2.934 1.00 15.00 C ATOM 468 OG1 THR A 309 6.336 -6.812 3.252 1.00 15.00 O ATOM 469 CG2 THR A 309 4.741 -6.952 1.435 1.00 15.00 C ATOM 0 H THR A 309 2.554 -5.800 2.371 1.00 15.00 H new ATOM 0 HA THR A 309 4.540 -5.314 4.478 1.00 15.00 H new ATOM 0 HB THR A 309 4.414 -7.560 3.453 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.708 -7.666 2.946 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.178 -7.904 1.132 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.676 -6.951 1.204 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.230 -6.141 0.896 1.00 15.00 H new ATOM 477 N ASP A 310 6.081 -3.744 3.209 1.00 15.00 N ATOM 478 CA ASP A 310 6.787 -2.612 2.617 1.00 15.00 C ATOM 479 C ASP A 310 8.234 -2.993 2.318 1.00 15.00 C ATOM 480 O ASP A 310 9.014 -3.274 3.229 1.00 15.00 O ATOM 481 CB ASP A 310 6.732 -1.401 3.558 1.00 15.00 C ATOM 482 CG ASP A 310 7.520 -0.197 3.057 1.00 15.00 C ATOM 483 OD1 ASP A 310 7.849 -0.141 1.856 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 7.817 0.700 3.878 1.00 15.00 O ATOM 0 H ASP A 310 6.511 -4.107 4.060 1.00 15.00 H new ATOM 0 HA ASP A 310 6.299 -2.343 1.680 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.691 -1.109 3.699 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.116 -1.694 4.535 1.00 15.00 H new ATOM 489 N PRO A 311 8.607 -3.024 1.030 1.00 15.00 N ATOM 490 CA PRO A 311 9.963 -3.376 0.598 1.00 15.00 C ATOM 491 C PRO A 311 10.970 -2.274 0.911 1.00 15.00 C ATOM 492 O PRO A 311 12.183 -2.482 0.858 1.00 15.00 O ATOM 493 CB PRO A 311 9.810 -3.553 -0.911 1.00 15.00 C ATOM 494 CG PRO A 311 8.684 -2.654 -1.274 1.00 15.00 C ATOM 495 CD PRO A 311 7.730 -2.715 -0.115 1.00 15.00 C ATOM 0 HA PRO A 311 10.344 -4.261 1.108 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.724 -3.279 -1.438 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.591 -4.589 -1.170 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.034 -1.635 -1.441 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.203 -2.981 -2.196 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.205 -1.770 0.024 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.971 -3.484 -0.259 1.00 15.00 H new ATOM 503 N ARG A 312 10.452 -1.098 1.218 1.00 15.00 N ATOM 504 CA ARG A 312 11.272 0.062 1.519 1.00 15.00 C ATOM 505 C ARG A 312 11.752 0.011 2.973 1.00 15.00 C ATOM 506 O ARG A 312 12.614 0.788 3.385 1.00 15.00 O ATOM 507 CB ARG A 312 10.457 1.328 1.249 1.00 15.00 C ATOM 508 CG ARG A 312 11.130 2.628 1.651 1.00 15.00 C ATOM 509 CD ARG A 312 10.088 3.694 1.925 1.00 15.00 C ATOM 510 NE ARG A 312 9.061 3.191 2.836 1.00 15.00 N ATOM 511 CZ ARG A 312 8.475 3.905 3.791 1.00 15.00 C ATOM 512 NH1 ARG A 312 8.769 5.190 3.952 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.587 3.317 4.580 1.00 15.00 N ATOM 0 H ARG A 312 9.449 -0.920 1.266 1.00 15.00 H new ATOM 0 HA ARG A 312 12.156 0.067 0.882 1.00 15.00 H new ATOM 0 HB2 ARG A 312 10.225 1.371 0.185 1.00 15.00 H new ATOM 0 HB3 ARG A 312 9.508 1.250 1.779 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.741 2.470 2.539 1.00 15.00 H new ATOM 0 HG3 ARG A 312 11.800 2.960 0.858 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.565 4.574 2.357 1.00 15.00 H new ATOM 0 HD3 ARG A 312 9.628 4.009 0.988 1.00 15.00 H new ATOM 0 HE ARG A 312 8.773 2.218 2.730 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.450 5.638 3.339 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.313 5.729 4.688 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.363 2.331 4.449 1.00 15.00 H new ATOM 0 HH22 ARG A 312 7.128 3.851 5.318 1.00 15.00 H new ATOM 527 N LEU A 313 11.190 -0.922 3.743 1.00 15.00 N ATOM 528 CA LEU A 313 11.529 -1.068 5.160 1.00 15.00 C ATOM 529 C LEU A 313 12.998 -1.466 5.347 1.00 15.00 C ATOM 530 O LEU A 313 13.564 -1.308 6.429 1.00 15.00 O ATOM 531 CB LEU A 313 10.613 -2.105 5.822 1.00 15.00 C ATOM 532 CG LEU A 313 10.778 -2.261 7.338 1.00 15.00 C ATOM 533 CD1 LEU A 313 10.421 -0.969 8.056 1.00 15.00 C ATOM 534 CD2 LEU A 313 9.925 -3.412 7.851 1.00 15.00 C ATOM 0 H LEU A 313 10.496 -1.590 3.408 1.00 15.00 H new ATOM 0 HA LEU A 313 11.379 -0.101 5.639 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.578 -1.835 5.613 1.00 15.00 H new ATOM 0 HB3 LEU A 313 10.791 -3.073 5.353 1.00 15.00 H new ATOM 0 HG LEU A 313 11.824 -2.487 7.546 1.00 15.00 H new ATOM 0 HD11 LEU A 313 10.546 -1.103 9.130 1.00 15.00 H new ATOM 0 HD12 LEU A 313 11.076 -0.169 7.712 1.00 15.00 H new ATOM 0 HD13 LEU A 313 9.385 -0.707 7.841 1.00 15.00 H new ATOM 0 HD21 LEU A 313 10.054 -3.508 8.929 1.00 15.00 H new ATOM 0 HD22 LEU A 313 8.876 -3.216 7.627 1.00 15.00 H new ATOM 0 HD23 LEU A 313 10.232 -4.338 7.364 1.00 15.00 H new ATOM 546 N HIS A 314 13.608 -2.000 4.301 1.00 15.00 N ATOM 547 CA HIS A 314 15.026 -2.325 4.334 1.00 15.00 C ATOM 548 C HIS A 314 15.778 -1.412 3.375 1.00 15.00 C ATOM 549 O HIS A 314 15.918 -1.781 2.193 1.00 15.00 O ATOM 550 CB HIS A 314 15.261 -3.795 3.967 1.00 15.00 C ATOM 551 CG HIS A 314 16.705 -4.208 4.027 1.00 15.00 C ATOM 552 ND1 HIS A 314 17.560 -4.099 2.952 1.00 15.00 N ATOM 553 CD2 HIS A 314 17.442 -4.732 5.037 1.00 15.00 C ATOM 554 CE1 HIS A 314 18.757 -4.537 3.294 1.00 15.00 C ATOM 555 NE2 HIS A 314 18.712 -4.925 4.552 1.00 15.00 N ATOM 556 OXT HIS A 314 16.201 -0.322 3.803 1.00 15.00 O ATOM 0 H HIS A 314 13.144 -2.218 3.419 1.00 15.00 H new ATOM 0 HA HIS A 314 15.398 -2.171 5.347 1.00 15.00 H new ATOM 0 HB2 HIS A 314 14.683 -4.426 4.642 1.00 15.00 H new ATOM 0 HB3 HIS A 314 14.882 -3.974 2.961 1.00 15.00 H new ATOM 0 HD2 HIS A 314 17.095 -4.956 6.035 1.00 15.00 H new ATOM 0 HE1 HIS A 314 19.625 -4.571 2.652 1.00 15.00 H new ATOM 0 HE2 HIS A 314 19.495 -5.308 5.081 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.687 -12.816 4.592 1.00 15.00 N ATOM 567 CA GLU B 203 1.547 -11.853 5.705 1.00 15.00 C ATOM 568 C GLU B 203 0.760 -12.453 6.868 1.00 15.00 C ATOM 569 O GLU B 203 1.011 -12.106 8.023 1.00 15.00 O ATOM 570 CB GLU B 203 0.878 -10.540 5.244 1.00 15.00 C ATOM 571 CG GLU B 203 -0.534 -10.695 4.683 1.00 15.00 C ATOM 572 CD GLU B 203 -0.572 -11.393 3.340 1.00 15.00 C ATOM 573 OE1 GLU B 203 -0.646 -12.638 3.320 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -0.517 -10.705 2.303 1.00 15.00 O ATOM 0 HA GLU B 203 2.556 -11.624 6.047 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.843 -9.852 6.089 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.506 -10.078 4.482 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -1.140 -11.257 5.394 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -0.989 -9.709 4.585 1.00 15.00 H new ATOM 583 N LEU B 204 -0.206 -13.333 6.559 1.00 15.00 N ATOM 584 CA LEU B 204 -1.060 -13.957 7.580 1.00 15.00 C ATOM 585 C LEU B 204 -1.905 -12.908 8.308 1.00 15.00 C ATOM 586 O LEU B 204 -2.510 -13.189 9.342 1.00 15.00 O ATOM 587 CB LEU B 204 -0.216 -14.738 8.593 1.00 15.00 C ATOM 588 CG LEU B 204 0.621 -15.879 8.009 1.00 15.00 C ATOM 589 CD1 LEU B 204 1.502 -16.491 9.086 1.00 15.00 C ATOM 590 CD2 LEU B 204 -0.279 -16.941 7.389 1.00 15.00 C ATOM 0 H LEU B 204 -0.415 -13.629 5.605 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.729 -14.650 7.070 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.453 -14.041 9.097 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.880 -15.149 9.353 1.00 15.00 H new ATOM 0 HG LEU B 204 1.261 -15.473 7.225 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.092 -17.301 8.657 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.170 -15.728 9.486 1.00 15.00 H new ATOM 0 HD13 LEU B 204 0.877 -16.883 9.888 1.00 15.00 H new ATOM 0 HD21 LEU B 204 0.334 -17.744 6.979 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -0.944 -17.346 8.152 1.00 15.00 H new ATOM 0 HD23 LEU B 204 -0.872 -16.494 6.591 1.00 15.00 H new ATOM 602 N GLU B 205 -1.979 -11.719 7.726 1.00 15.00 N ATOM 603 CA GLU B 205 -2.623 -10.580 8.364 1.00 15.00 C ATOM 604 C GLU B 205 -4.096 -10.488 7.994 1.00 15.00 C ATOM 605 O GLU B 205 -4.557 -11.132 7.045 1.00 15.00 O ATOM 606 CB GLU B 205 -1.915 -9.288 7.950 1.00 15.00 C ATOM 607 CG GLU B 205 -0.445 -9.242 8.333 1.00 15.00 C ATOM 608 CD GLU B 205 -0.225 -9.094 9.827 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.110 -9.488 10.616 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.816 -8.529 10.215 1.00 15.00 O ATOM 0 H GLU B 205 -1.596 -11.518 6.802 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.552 -10.719 9.443 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -2.003 -9.167 6.870 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.427 -8.442 8.409 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.043 -10.154 7.988 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.033 -8.410 7.817 1.00 15.00 H new ATOM 617 N SER B 206 -4.820 -9.677 8.753 1.00 15.00 N ATOM 618 CA SER B 206 -6.210 -9.363 8.465 1.00 15.00 C ATOM 619 C SER B 206 -6.318 -8.671 7.107 1.00 15.00 C ATOM 620 O SER B 206 -5.393 -7.968 6.700 1.00 15.00 O ATOM 621 CB SER B 206 -6.751 -8.461 9.573 1.00 15.00 C ATOM 622 OG SER B 206 -6.522 -9.044 10.847 1.00 15.00 O ATOM 0 H SER B 206 -4.457 -9.218 9.588 1.00 15.00 H new ATOM 0 HA SER B 206 -6.799 -10.280 8.427 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.270 -7.484 9.522 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.819 -8.298 9.428 1.00 15.00 H new ATOM 0 HG SER B 206 -6.873 -8.453 11.545 1.00 15.00 H new ATOM 628 N PRO B 207 -7.449 -8.851 6.400 1.00 15.00 N ATOM 629 CA PRO B 207 -7.637 -8.322 5.044 1.00 15.00 C ATOM 630 C PRO B 207 -7.281 -6.838 4.920 1.00 15.00 C ATOM 631 O PRO B 207 -7.855 -5.988 5.602 1.00 15.00 O ATOM 632 CB PRO B 207 -9.136 -8.535 4.768 1.00 15.00 C ATOM 633 CG PRO B 207 -9.740 -8.933 6.074 1.00 15.00 C ATOM 634 CD PRO B 207 -8.637 -9.577 6.861 1.00 15.00 C ATOM 0 HA PRO B 207 -6.981 -8.825 4.334 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.596 -7.624 4.386 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.289 -9.308 4.015 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.139 -8.066 6.600 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.569 -9.625 5.926 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.788 -9.467 7.935 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.564 -10.645 6.657 1.00 15.00 H new ATOM 642 N PRO B 208 -6.301 -6.525 4.059 1.00 15.00 N ATOM 643 CA PRO B 208 -5.888 -5.144 3.775 1.00 15.00 C ATOM 644 C PRO B 208 -6.994 -4.318 3.100 1.00 15.00 C ATOM 645 O PRO B 208 -7.943 -4.872 2.540 1.00 15.00 O ATOM 646 CB PRO B 208 -4.691 -5.316 2.828 1.00 15.00 C ATOM 647 CG PRO B 208 -4.824 -6.685 2.265 1.00 15.00 C ATOM 648 CD PRO B 208 -5.479 -7.505 3.335 1.00 15.00 C ATOM 0 HA PRO B 208 -5.653 -4.599 4.689 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.704 -4.564 2.039 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.748 -5.201 3.362 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.425 -6.677 1.356 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.850 -7.095 2.000 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.087 -8.305 2.913 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.744 -7.974 3.989 1.00 15.00 H new ATOM 656 N PRO B 209 -6.849 -2.976 3.117 1.00 15.00 N ATOM 657 CA PRO B 209 -7.857 -2.039 2.595 1.00 15.00 C ATOM 658 C PRO B 209 -8.134 -2.228 1.103 1.00 15.00 C ATOM 659 O PRO B 209 -7.207 -2.413 0.312 1.00 15.00 O ATOM 660 CB PRO B 209 -7.224 -0.658 2.833 1.00 15.00 C ATOM 661 CG PRO B 209 -6.178 -0.880 3.860 1.00 15.00 C ATOM 662 CD PRO B 209 -5.672 -2.269 3.638 1.00 15.00 C ATOM 0 HA PRO B 209 -8.820 -2.184 3.085 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.795 -0.258 1.914 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.967 0.061 3.177 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.374 -0.151 3.762 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.587 -0.769 4.864 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.845 -2.287 2.929 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.309 -2.718 4.563 1.00 15.00 H new ATOM 670 N PRO B 210 -9.415 -2.177 0.704 1.00 15.00 N ATOM 671 CA PRO B 210 -9.808 -2.241 -0.710 1.00 15.00 C ATOM 672 C PRO B 210 -9.206 -1.083 -1.503 1.00 15.00 C ATOM 673 O PRO B 210 -9.262 0.071 -1.072 1.00 15.00 O ATOM 674 CB PRO B 210 -11.339 -2.132 -0.672 1.00 15.00 C ATOM 675 CG PRO B 210 -11.660 -1.566 0.671 1.00 15.00 C ATOM 676 CD PRO B 210 -10.577 -2.048 1.593 1.00 15.00 C ATOM 0 HA PRO B 210 -9.458 -3.151 -1.198 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.707 -1.486 -1.469 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.806 -3.107 -0.810 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.689 -0.477 0.639 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.640 -1.901 1.011 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.390 -1.340 2.400 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.837 -2.999 2.057 1.00 15.00 H new ATOM 684 N TYR B 211 -8.637 -1.392 -2.663 1.00 15.00 N ATOM 685 CA TYR B 211 -7.912 -0.393 -3.434 1.00 15.00 C ATOM 686 C TYR B 211 -8.835 0.701 -3.960 1.00 15.00 C ATOM 687 O TYR B 211 -9.641 0.486 -4.867 1.00 15.00 O ATOM 688 CB TYR B 211 -7.131 -1.043 -4.584 1.00 15.00 C ATOM 689 CG TYR B 211 -6.445 -0.045 -5.497 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.765 1.039 -4.966 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.464 -0.191 -6.881 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.127 1.950 -5.777 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.825 0.726 -7.699 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.162 1.788 -7.137 1.00 15.00 C ATOM 695 OH TYR B 211 -4.525 2.691 -7.941 1.00 15.00 O ATOM 0 H TYR B 211 -8.664 -2.320 -3.086 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.199 0.078 -2.757 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.381 -1.716 -4.167 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.814 -1.653 -5.175 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.735 1.172 -3.895 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.983 -1.029 -7.322 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.602 2.788 -5.344 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.848 0.606 -8.772 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.972 3.560 -7.875 1.00 15.00 H new ATOM 705 N SER B 212 -8.720 1.864 -3.344 1.00 15.00 N ATOM 706 CA SER B 212 -9.366 3.070 -3.820 1.00 15.00 C ATOM 707 C SER B 212 -8.373 3.816 -4.701 1.00 15.00 C ATOM 708 O SER B 212 -7.172 3.739 -4.454 1.00 15.00 O ATOM 709 CB SER B 212 -9.782 3.929 -2.626 1.00 15.00 C ATOM 710 OG SER B 212 -10.521 3.160 -1.688 1.00 15.00 O ATOM 0 H SER B 212 -8.172 1.997 -2.494 1.00 15.00 H new ATOM 0 HA SER B 212 -10.261 2.832 -4.395 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.897 4.346 -2.145 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.384 4.770 -2.969 1.00 15.00 H new ATOM 0 HG SER B 212 -10.777 3.726 -0.930 1.00 15.00 H new ATOM 716 N ARG B 213 -8.856 4.561 -5.693 1.00 15.00 N ATOM 717 CA ARG B 213 -7.962 5.169 -6.680 1.00 15.00 C ATOM 718 C ARG B 213 -6.964 6.100 -6.011 1.00 15.00 C ATOM 719 O ARG B 213 -5.754 5.976 -6.213 1.00 15.00 O ATOM 720 CB ARG B 213 -8.749 5.963 -7.724 1.00 15.00 C ATOM 721 CG ARG B 213 -9.628 5.117 -8.625 1.00 15.00 C ATOM 722 CD ARG B 213 -10.277 5.967 -9.706 1.00 15.00 C ATOM 723 NE ARG B 213 -11.204 6.958 -9.151 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.879 7.845 -9.884 1.00 15.00 C ATOM 725 NH1 ARG B 213 -11.746 7.865 -11.205 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.691 8.709 -9.290 1.00 15.00 N ATOM 0 H ARG B 213 -9.847 4.757 -5.835 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.429 4.355 -7.171 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.373 6.695 -7.211 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.047 6.521 -8.343 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.032 4.329 -9.086 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.399 4.627 -8.031 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.502 6.477 -10.278 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.813 5.320 -10.401 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.342 6.970 -8.140 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -11.125 7.200 -11.665 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -12.265 8.546 -11.760 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.798 8.694 -8.276 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.209 9.389 -9.847 1.00 15.00 H new ATOM 740 N TYR B 214 -7.470 7.046 -5.240 1.00 15.00 N ATOM 741 CA TYR B 214 -6.608 7.940 -4.491 1.00 15.00 C ATOM 742 C TYR B 214 -6.884 7.816 -3.003 1.00 15.00 C ATOM 743 O TYR B 214 -7.902 8.293 -2.502 1.00 15.00 O ATOM 744 CB TYR B 214 -6.754 9.379 -4.987 1.00 15.00 C ATOM 745 CG TYR B 214 -5.995 9.616 -6.275 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.355 8.956 -7.444 1.00 15.00 C ATOM 747 CD2 TYR B 214 -4.903 10.470 -6.314 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.648 9.138 -8.614 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.193 10.664 -7.485 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.568 9.994 -8.630 1.00 15.00 C ATOM 751 OH TYR B 214 -3.851 10.171 -9.791 1.00 15.00 O ATOM 0 H TYR B 214 -8.469 7.214 -5.117 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.570 7.651 -4.657 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.809 9.603 -5.142 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.391 10.065 -4.221 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.204 8.288 -7.436 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.603 10.991 -5.417 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.939 8.613 -9.512 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.349 11.337 -7.502 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.123 10.807 -9.632 1.00 15.00 H new ATOM 761 N PRO B 215 -5.988 7.123 -2.291 1.00 15.00 N ATOM 762 CA PRO B 215 -6.162 6.817 -0.875 1.00 15.00 C ATOM 763 C PRO B 215 -5.876 8.010 0.034 1.00 15.00 C ATOM 764 O PRO B 215 -4.774 8.563 0.033 1.00 15.00 O ATOM 765 CB PRO B 215 -5.142 5.702 -0.637 1.00 15.00 C ATOM 766 CG PRO B 215 -4.057 5.967 -1.627 1.00 15.00 C ATOM 767 CD PRO B 215 -4.726 6.577 -2.828 1.00 15.00 C ATOM 0 HA PRO B 215 -7.190 6.540 -0.643 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -4.761 5.724 0.384 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.587 4.719 -0.790 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.309 6.643 -1.213 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.541 5.045 -1.895 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.111 7.358 -3.275 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.910 5.834 -3.604 1.00 15.00 H new ATOM 775 N MET B 216 -6.880 8.412 0.797 1.00 15.00 N ATOM 776 CA MET B 216 -6.718 9.481 1.774 1.00 15.00 C ATOM 777 C MET B 216 -6.987 8.944 3.174 1.00 15.00 C ATOM 778 O MET B 216 -8.036 8.344 3.426 1.00 15.00 O ATOM 779 CB MET B 216 -7.657 10.651 1.464 1.00 15.00 C ATOM 780 CG MET B 216 -7.361 11.339 0.139 1.00 15.00 C ATOM 781 SD MET B 216 -5.706 12.060 0.084 1.00 15.00 S ATOM 782 CE MET B 216 -5.837 13.312 1.362 1.00 15.00 C ATOM 0 H MET B 216 -7.818 8.014 0.760 1.00 15.00 H new ATOM 0 HA MET B 216 -5.693 9.848 1.721 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.685 10.287 1.453 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.587 11.384 2.268 1.00 15.00 H new ATOM 0 HG2 MET B 216 -7.466 10.618 -0.672 1.00 15.00 H new ATOM 0 HG3 MET B 216 -8.100 12.122 -0.033 1.00 15.00 H new ATOM 0 HE1 MET B 216 -5.037 14.042 1.240 1.00 15.00 H new ATOM 0 HE2 MET B 216 -6.801 13.814 1.282 1.00 15.00 H new ATOM 0 HE3 MET B 216 -5.753 12.842 2.342 1.00 15.00 H new ATOM 792 N ASP B 217 -6.041 9.161 4.076 1.00 15.00 N ATOM 793 CA ASP B 217 -6.135 8.636 5.431 1.00 15.00 C ATOM 794 C ASP B 217 -7.214 9.369 6.221 1.00 15.00 C ATOM 795 O ASP B 217 -7.190 10.616 6.275 1.00 15.00 O ATOM 796 CB ASP B 217 -4.776 8.713 6.148 1.00 15.00 C ATOM 797 CG ASP B 217 -4.248 10.128 6.308 1.00 15.00 C ATOM 798 OD1 ASP B 217 -4.025 10.806 5.282 1.00 15.00 O ATOM 799 OD2 ASP B 217 -4.026 10.556 7.462 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -8.096 8.691 6.782 1.00 15.00 O ATOM 0 H ASP B 217 -5.195 9.700 3.893 1.00 15.00 H new ATOM 0 HA ASP B 217 -6.418 7.585 5.368 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -4.869 8.256 7.133 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -4.048 8.124 5.591 1.00 15.00 H new TER 805 ASP B 217