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= -0.543 K(o=0.25,f=-10!) USER MOD Set 1.2: B 211 TYR OH : rot 35:sc= 0.79 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -44:sc= -0.141 USER MOD Single : A 293 SER OG : rot -23:sc= 0.0519 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 1.17 K(o=1.2,f=-0.16) USER MOD Single : A 303 ASN : amide:sc= 1.23 K(o=1.2,f=-0.082) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -160:sc= 0.794 USER MOD Single : A 307 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HD1:sc= -0.585 K(o=-0.58,f=-0.082) USER MOD Single : B 206 SER OG : rot 180:sc= 0.875 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 156:sc= -0.269 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 17.611 6.974 -1.961 1.00 15.00 N ATOM 2 CA GLY A 280 16.602 6.439 -2.906 1.00 15.00 C ATOM 3 C GLY A 280 15.228 7.033 -2.667 1.00 15.00 C ATOM 4 O GLY A 280 14.690 6.938 -1.561 1.00 15.00 O ATOM 0 HA2 GLY A 280 16.915 6.650 -3.928 1.00 15.00 H new ATOM 0 HA3 GLY A 280 16.551 5.355 -2.806 1.00 15.00 H new ATOM 10 N PRO A 281 14.648 7.680 -3.686 1.00 15.00 N ATOM 11 CA PRO A 281 13.323 8.286 -3.593 1.00 15.00 C ATOM 12 C PRO A 281 12.204 7.279 -3.847 1.00 15.00 C ATOM 13 O PRO A 281 12.336 6.389 -4.690 1.00 15.00 O ATOM 14 CB PRO A 281 13.361 9.343 -4.696 1.00 15.00 C ATOM 15 CG PRO A 281 14.278 8.786 -5.734 1.00 15.00 C ATOM 16 CD PRO A 281 15.251 7.881 -5.019 1.00 15.00 C ATOM 0 HA PRO A 281 13.115 8.685 -2.600 1.00 15.00 H new ATOM 0 HB2 PRO A 281 12.366 9.524 -5.104 1.00 15.00 H new ATOM 0 HB3 PRO A 281 13.728 10.297 -4.316 1.00 15.00 H new ATOM 0 HG2 PRO A 281 13.718 8.232 -6.487 1.00 15.00 H new ATOM 0 HG3 PRO A 281 14.805 9.586 -6.253 1.00 15.00 H new ATOM 0 HD2 PRO A 281 15.376 6.935 -5.546 1.00 15.00 H new ATOM 0 HD3 PRO A 281 16.238 8.337 -4.945 1.00 15.00 H new ATOM 24 N LEU A 282 11.111 7.423 -3.110 1.00 15.00 N ATOM 25 CA LEU A 282 9.941 6.574 -3.289 1.00 15.00 C ATOM 26 C LEU A 282 9.360 6.790 -4.690 1.00 15.00 C ATOM 27 O LEU A 282 8.995 7.911 -5.050 1.00 15.00 O ATOM 28 CB LEU A 282 8.898 6.901 -2.206 1.00 15.00 C ATOM 29 CG LEU A 282 7.986 5.744 -1.766 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.061 5.305 -2.888 1.00 15.00 C ATOM 31 CD2 LEU A 282 8.814 4.565 -1.279 1.00 15.00 C ATOM 0 H LEU A 282 11.010 8.125 -2.377 1.00 15.00 H new ATOM 0 HA LEU A 282 10.225 5.526 -3.191 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.423 7.276 -1.327 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.269 7.713 -2.571 1.00 15.00 H new ATOM 0 HG LEU A 282 7.369 6.108 -0.944 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.431 4.486 -2.541 1.00 15.00 H new ATOM 0 HD12 LEU A 282 6.433 6.143 -3.190 1.00 15.00 H new ATOM 0 HD13 LEU A 282 7.654 4.971 -3.739 1.00 15.00 H new ATOM 0 HD21 LEU A 282 8.151 3.756 -0.972 1.00 15.00 H new ATOM 0 HD22 LEU A 282 9.461 4.217 -2.084 1.00 15.00 H new ATOM 0 HD23 LEU A 282 9.425 4.875 -0.431 1.00 15.00 H new ATOM 43 N PRO A 283 9.294 5.720 -5.505 1.00 15.00 N ATOM 44 CA PRO A 283 8.769 5.784 -6.876 1.00 15.00 C ATOM 45 C PRO A 283 7.338 6.320 -6.928 1.00 15.00 C ATOM 46 O PRO A 283 6.468 5.860 -6.188 1.00 15.00 O ATOM 47 CB PRO A 283 8.812 4.326 -7.356 1.00 15.00 C ATOM 48 CG PRO A 283 8.970 3.507 -6.121 1.00 15.00 C ATOM 49 CD PRO A 283 9.734 4.361 -5.157 1.00 15.00 C ATOM 0 HA PRO A 283 9.352 6.464 -7.497 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.899 4.061 -7.889 1.00 15.00 H new ATOM 0 HB3 PRO A 283 9.642 4.163 -8.044 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.000 3.227 -5.711 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.505 2.581 -6.332 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.499 4.112 -4.122 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.811 4.242 -5.277 1.00 15.00 H new ATOM 57 N PRO A 284 7.069 7.276 -7.835 1.00 15.00 N ATOM 58 CA PRO A 284 5.756 7.933 -7.944 1.00 15.00 C ATOM 59 C PRO A 284 4.646 6.990 -8.409 1.00 15.00 C ATOM 60 O PRO A 284 3.483 7.385 -8.506 1.00 15.00 O ATOM 61 CB PRO A 284 5.992 9.029 -8.985 1.00 15.00 C ATOM 62 CG PRO A 284 7.144 8.543 -9.790 1.00 15.00 C ATOM 63 CD PRO A 284 8.026 7.805 -8.824 1.00 15.00 C ATOM 0 HA PRO A 284 5.416 8.301 -6.976 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.110 9.181 -9.607 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.215 9.984 -8.510 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.811 7.889 -10.596 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.677 9.373 -10.253 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.582 7.006 -9.315 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.759 8.466 -8.362 1.00 15.00 H new ATOM 71 N GLY A 285 5.013 5.757 -8.725 1.00 15.00 N ATOM 72 CA GLY A 285 4.025 4.761 -9.085 1.00 15.00 C ATOM 73 C GLY A 285 3.470 4.068 -7.861 1.00 15.00 C ATOM 74 O GLY A 285 2.411 3.442 -7.911 1.00 15.00 O ATOM 0 H GLY A 285 5.978 5.428 -8.739 1.00 15.00 H new ATOM 0 HA2 GLY A 285 3.213 5.235 -9.637 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.475 4.024 -9.750 1.00 15.00 H new ATOM 78 N TRP A 286 4.188 4.206 -6.754 1.00 15.00 N ATOM 79 CA TRP A 286 3.809 3.580 -5.500 1.00 15.00 C ATOM 80 C TRP A 286 3.069 4.568 -4.613 1.00 15.00 C ATOM 81 O TRP A 286 3.658 5.539 -4.134 1.00 15.00 O ATOM 82 CB TRP A 286 5.060 3.042 -4.782 1.00 15.00 C ATOM 83 CG TRP A 286 5.500 1.716 -5.318 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.905 1.438 -6.591 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.548 0.480 -4.599 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.176 0.099 -6.718 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.960 -0.514 -5.512 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.275 0.109 -3.277 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.091 -1.852 -5.146 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.401 -1.216 -2.923 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.797 -2.186 -3.853 1.00 15.00 C ATOM 0 H TRP A 286 5.047 4.754 -6.703 1.00 15.00 H new ATOM 0 HA TRP A 286 3.140 2.746 -5.712 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.873 3.761 -4.887 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.852 2.949 -3.716 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.999 2.166 -7.383 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.488 -0.365 -7.571 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.972 0.847 -2.549 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.413 -2.598 -5.857 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.190 -1.514 -1.907 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.872 -3.218 -3.543 1.00 15.00 H new ATOM 102 N GLU A 287 1.774 4.345 -4.411 1.00 15.00 N ATOM 103 CA GLU A 287 1.010 5.202 -3.530 1.00 15.00 C ATOM 104 C GLU A 287 0.966 4.561 -2.145 1.00 15.00 C ATOM 105 O GLU A 287 0.302 3.543 -1.932 1.00 15.00 O ATOM 106 CB GLU A 287 -0.388 5.445 -4.112 1.00 15.00 C ATOM 107 CG GLU A 287 -1.372 6.120 -3.164 1.00 15.00 C ATOM 108 CD GLU A 287 -1.027 7.566 -2.864 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.197 8.420 -3.759 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.595 7.863 -1.726 1.00 15.00 O1- ATOM 0 H GLU A 287 1.243 3.588 -4.841 1.00 15.00 H new ATOM 0 HA GLU A 287 1.482 6.180 -3.437 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.291 6.058 -5.008 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.806 4.488 -4.425 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.371 6.075 -3.598 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.405 5.561 -2.229 1.00 15.00 H new ATOM 117 N VAL A 288 1.735 5.130 -1.227 1.00 15.00 N ATOM 118 CA VAL A 288 1.930 4.539 0.086 1.00 15.00 C ATOM 119 C VAL A 288 1.024 5.192 1.126 1.00 15.00 C ATOM 120 O VAL A 288 0.999 6.414 1.272 1.00 15.00 O ATOM 121 CB VAL A 288 3.415 4.633 0.521 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.887 6.078 0.620 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.640 3.893 1.830 1.00 15.00 C ATOM 0 H VAL A 288 2.236 6.006 -1.371 1.00 15.00 H new ATOM 0 HA VAL A 288 1.659 3.485 0.017 1.00 15.00 H new ATOM 0 HB VAL A 288 4.014 4.152 -0.252 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.933 6.099 0.928 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.785 6.562 -0.352 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.282 6.609 1.355 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.689 3.972 2.117 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.017 4.333 2.609 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.376 2.843 1.704 1.00 15.00 H new ATOM 133 N ARG A 289 0.258 4.370 1.826 1.00 15.00 N ATOM 134 CA ARG A 289 -0.661 4.854 2.841 1.00 15.00 C ATOM 135 C ARG A 289 -0.551 3.994 4.097 1.00 15.00 C ATOM 136 O ARG A 289 -0.293 2.795 4.015 1.00 15.00 O ATOM 137 CB ARG A 289 -2.092 4.859 2.284 1.00 15.00 C ATOM 138 CG ARG A 289 -2.324 5.923 1.224 1.00 15.00 C ATOM 139 CD ARG A 289 -2.005 7.318 1.739 1.00 15.00 C ATOM 140 NE ARG A 289 -1.959 8.301 0.658 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.331 9.576 0.784 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.745 10.044 1.961 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.281 10.387 -0.268 1.00 15.00 N ATOM 0 H ARG A 289 0.256 3.357 1.707 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.401 5.877 3.114 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.312 3.880 1.859 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.793 5.015 3.104 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.706 5.708 0.353 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.362 5.887 0.895 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.757 7.616 2.469 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.046 7.303 2.257 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.620 7.992 -0.253 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.779 9.426 2.772 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -3.028 11.020 2.051 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.959 10.034 -1.169 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -2.565 11.362 -0.174 1.00 15.00 H new ATOM 157 N SER A 290 -0.739 4.609 5.256 1.00 15.00 N ATOM 158 CA SER A 290 -0.571 3.915 6.526 1.00 15.00 C ATOM 159 C SER A 290 -1.882 3.855 7.310 1.00 15.00 C ATOM 160 O SER A 290 -2.651 4.816 7.333 1.00 15.00 O ATOM 161 CB SER A 290 0.509 4.622 7.353 1.00 15.00 C ATOM 162 OG SER A 290 0.340 6.032 7.326 1.00 15.00 O ATOM 0 H SER A 290 -1.008 5.589 5.344 1.00 15.00 H new ATOM 0 HA SER A 290 -0.265 2.889 6.320 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.470 4.269 8.383 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.494 4.364 6.965 1.00 15.00 H new ATOM 0 HG SER A 290 1.042 6.456 7.863 1.00 15.00 H new ATOM 168 N THR A 291 -2.129 2.720 7.956 1.00 15.00 N ATOM 169 CA THR A 291 -3.284 2.579 8.830 1.00 15.00 C ATOM 170 C THR A 291 -2.883 2.851 10.280 1.00 15.00 C ATOM 171 O THR A 291 -1.783 2.485 10.702 1.00 15.00 O ATOM 172 CB THR A 291 -3.928 1.177 8.729 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.927 0.155 8.862 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.674 1.002 7.412 1.00 15.00 C ATOM 0 H THR A 291 -1.545 1.887 7.890 1.00 15.00 H new ATOM 0 HA THR A 291 -4.024 3.310 8.503 1.00 15.00 H new ATOM 0 HB THR A 291 -4.647 1.084 9.543 1.00 15.00 H new ATOM 0 HG1 THR A 291 -2.145 0.391 8.321 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.115 0.006 7.373 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.463 1.751 7.338 1.00 15.00 H new ATOM 0 HG23 THR A 291 -3.979 1.124 6.581 1.00 15.00 H new ATOM 182 N VAL A 292 -3.792 3.472 11.038 1.00 15.00 N ATOM 183 CA VAL A 292 -3.528 3.863 12.427 1.00 15.00 C ATOM 184 C VAL A 292 -3.223 2.644 13.312 1.00 15.00 C ATOM 185 O VAL A 292 -2.695 2.773 14.417 1.00 15.00 O ATOM 186 CB VAL A 292 -4.722 4.660 13.012 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.956 3.779 13.138 1.00 15.00 C ATOM 188 CG2 VAL A 292 -4.359 5.289 14.353 1.00 15.00 C ATOM 0 H VAL A 292 -4.726 3.717 10.709 1.00 15.00 H new ATOM 0 HA VAL A 292 -2.646 4.503 12.420 1.00 15.00 H new ATOM 0 HB VAL A 292 -4.956 5.468 12.318 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.779 4.362 13.551 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -6.236 3.402 12.154 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.738 2.940 13.799 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -5.215 5.842 14.739 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.084 4.506 15.060 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -3.518 5.970 14.220 1.00 15.00 H new ATOM 198 N SER A 293 -3.538 1.460 12.803 1.00 15.00 N ATOM 199 CA SER A 293 -3.243 0.211 13.492 1.00 15.00 C ATOM 200 C SER A 293 -1.729 -0.012 13.585 1.00 15.00 C ATOM 201 O SER A 293 -1.262 -0.859 14.345 1.00 15.00 O ATOM 202 CB SER A 293 -3.921 -0.966 12.777 1.00 15.00 C ATOM 203 OG SER A 293 -3.758 -2.178 13.496 1.00 15.00 O ATOM 0 H SER A 293 -4.004 1.339 11.904 1.00 15.00 H new ATOM 0 HA SER A 293 -3.639 0.274 14.505 1.00 15.00 H new ATOM 0 HB2 SER A 293 -4.983 -0.755 12.655 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.501 -1.076 11.777 1.00 15.00 H new ATOM 0 HG SER A 293 -2.975 -2.109 14.081 1.00 15.00 H new ATOM 209 N GLY A 294 -0.973 0.749 12.799 1.00 15.00 N ATOM 210 CA GLY A 294 0.463 0.567 12.737 1.00 15.00 C ATOM 211 C GLY A 294 0.850 -0.416 11.660 1.00 15.00 C ATOM 212 O GLY A 294 1.783 -1.201 11.819 1.00 15.00 O ATOM 0 H GLY A 294 -1.334 1.492 12.201 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.944 1.526 12.546 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.828 0.214 13.701 1.00 15.00 H new ATOM 216 N ARG A 295 0.119 -0.370 10.557 1.00 15.00 N ATOM 217 CA ARG A 295 0.402 -1.223 9.412 1.00 15.00 C ATOM 218 C ARG A 295 0.503 -0.386 8.148 1.00 15.00 C ATOM 219 O ARG A 295 -0.373 0.439 7.870 1.00 15.00 O ATOM 220 CB ARG A 295 -0.688 -2.288 9.237 1.00 15.00 C ATOM 221 CG ARG A 295 -0.704 -3.343 10.333 1.00 15.00 C ATOM 222 CD ARG A 295 -1.687 -4.467 10.026 1.00 15.00 C ATOM 223 NE ARG A 295 -3.079 -4.006 10.049 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.111 -4.774 10.406 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.913 -6.038 10.765 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.347 -4.279 10.399 1.00 15.00 N ATOM 0 H ARG A 295 -0.679 0.252 10.430 1.00 15.00 H new ATOM 0 HA ARG A 295 1.353 -1.725 9.593 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.660 -1.796 9.206 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.549 -2.781 8.275 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.297 -3.758 10.452 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.970 -2.877 11.282 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.461 -4.887 9.046 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.559 -5.268 10.754 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.270 -3.042 9.776 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.969 -6.425 10.769 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.705 -6.621 11.037 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.507 -3.311 10.120 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.134 -4.868 10.672 1.00 15.00 H new ATOM 240 N ILE A 296 1.552 -0.616 7.376 1.00 15.00 N ATOM 241 CA ILE A 296 1.729 0.079 6.112 1.00 15.00 C ATOM 242 C ILE A 296 1.051 -0.736 5.019 1.00 15.00 C ATOM 243 O ILE A 296 0.999 -1.964 5.102 1.00 15.00 O ATOM 244 CB ILE A 296 3.233 0.283 5.783 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.411 1.298 4.653 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.904 -1.037 5.418 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.978 2.697 5.030 1.00 15.00 C ATOM 0 H ILE A 296 2.294 -1.278 7.602 1.00 15.00 H new ATOM 0 HA ILE A 296 1.278 1.069 6.179 1.00 15.00 H new ATOM 0 HB ILE A 296 3.715 0.673 6.680 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.459 1.318 4.354 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.838 0.969 3.786 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.956 -0.860 5.193 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.823 -1.730 6.255 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.413 -1.465 4.544 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.131 3.366 4.183 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.922 2.691 5.301 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.568 3.044 5.878 1.00 15.00 H new ATOM 259 N TYR A 297 0.502 -0.073 4.018 1.00 15.00 N ATOM 260 CA TYR A 297 -0.289 -0.774 3.029 1.00 15.00 C ATOM 261 C TYR A 297 -0.197 -0.069 1.704 1.00 15.00 C ATOM 262 O TYR A 297 -0.278 1.160 1.621 1.00 15.00 O ATOM 263 CB TYR A 297 -1.753 -0.948 3.472 1.00 15.00 C ATOM 264 CG TYR A 297 -2.638 0.282 3.365 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.348 0.557 2.199 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.802 1.138 4.444 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.182 1.653 2.111 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.644 2.232 4.364 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.330 2.485 3.196 1.00 15.00 C ATOM 270 OH TYR A 297 -5.171 3.573 3.117 1.00 15.00 O ATOM 0 H TYR A 297 0.588 0.933 3.871 1.00 15.00 H new ATOM 0 HA TYR A 297 0.121 -1.778 2.922 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.199 -1.744 2.875 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.759 -1.285 4.509 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.244 -0.100 1.348 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.264 0.947 5.361 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.716 1.856 1.194 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.764 2.886 5.215 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.162 4.056 3.970 1.00 15.00 H new ATOM 280 N PHE A 298 -0.019 -0.848 0.675 1.00 15.00 N ATOM 281 CA PHE A 298 0.151 -0.311 -0.635 1.00 15.00 C ATOM 282 C PHE A 298 -1.053 -0.401 -1.506 1.00 15.00 C ATOM 283 O PHE A 298 -1.833 -1.347 -1.446 1.00 15.00 O ATOM 284 CB PHE A 298 1.307 -0.981 -1.312 1.00 15.00 C ATOM 285 CG PHE A 298 2.534 -0.236 -1.039 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.650 1.043 -1.534 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.556 -0.782 -0.294 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.771 1.774 -1.302 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.694 -0.056 -0.064 1.00 15.00 C ATOM 290 CZ PHE A 298 4.793 1.224 -0.574 1.00 15.00 C ATOM 0 H PHE A 298 0.011 -1.866 0.725 1.00 15.00 H new ATOM 0 HA PHE A 298 0.339 0.753 -0.493 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.405 -2.006 -0.956 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.132 -1.032 -2.387 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.843 1.469 -2.112 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.460 -1.780 0.108 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.856 2.779 -1.688 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.505 -0.479 0.510 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.689 1.800 -0.396 1.00 15.00 H new ATOM 300 N VAL A 299 -1.145 0.602 -2.345 1.00 15.00 N ATOM 301 CA VAL A 299 -2.069 0.613 -3.441 1.00 15.00 C ATOM 302 C VAL A 299 -1.300 1.049 -4.693 1.00 15.00 C ATOM 303 O VAL A 299 -0.802 2.186 -4.808 1.00 15.00 O ATOM 304 CB VAL A 299 -3.333 1.492 -3.176 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.074 1.020 -1.931 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.999 2.963 -3.037 1.00 15.00 C ATOM 0 H VAL A 299 -0.570 1.442 -2.281 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.472 -0.390 -3.581 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.975 1.375 -4.049 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.950 1.648 -1.769 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.390 -0.015 -2.066 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.413 1.088 -1.067 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.913 3.528 -2.854 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.313 3.103 -2.202 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.531 3.318 -3.955 1.00 15.00 H new ATOM 316 N ASP A 300 -1.099 0.087 -5.573 1.00 15.00 N ATOM 317 CA ASP A 300 -0.421 0.326 -6.833 1.00 15.00 C ATOM 318 C ASP A 300 -1.432 0.323 -7.961 1.00 15.00 C ATOM 319 O ASP A 300 -2.244 -0.599 -8.075 1.00 15.00 O ATOM 320 CB ASP A 300 0.676 -0.720 -7.082 1.00 15.00 C ATOM 321 CG ASP A 300 0.913 -0.956 -8.563 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.317 -0.007 -9.270 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.669 -2.084 -9.035 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.399 -0.878 -5.436 1.00 15.00 H new ATOM 0 HA ASP A 300 0.063 1.302 -6.789 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.604 -0.390 -6.615 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.396 -1.659 -6.606 1.00 15.00 H new ATOM 328 N HIS A 301 -1.353 1.346 -8.800 1.00 15.00 N ATOM 329 CA HIS A 301 -2.334 1.571 -9.852 1.00 15.00 C ATOM 330 C HIS A 301 -2.097 0.673 -11.059 1.00 15.00 C ATOM 331 O HIS A 301 -2.981 0.519 -11.902 1.00 15.00 O ATOM 332 CB HIS A 301 -2.309 3.031 -10.308 1.00 15.00 C ATOM 333 CG HIS A 301 -2.854 4.009 -9.313 1.00 15.00 C ATOM 334 ND1 HIS A 301 -4.194 4.097 -9.009 1.00 15.00 N ATOM 335 CD2 HIS A 301 -2.244 4.990 -8.601 1.00 15.00 C ATOM 336 CE1 HIS A 301 -4.386 5.103 -8.174 1.00 15.00 C ATOM 337 NE2 HIS A 301 -3.219 5.655 -7.906 1.00 15.00 N ATOM 0 H HIS A 301 -0.608 2.042 -8.771 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.308 1.329 -9.428 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -1.281 3.307 -10.541 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.880 3.118 -11.232 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -1.186 5.206 -8.585 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -5.339 5.420 -7.777 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -3.067 6.448 -7.283 1.00 15.00 H new ATOM 346 N ASN A 302 -0.907 0.101 -11.156 1.00 15.00 N ATOM 347 CA ASN A 302 -0.569 -0.726 -12.307 1.00 15.00 C ATOM 348 C ASN A 302 -1.219 -2.094 -12.185 1.00 15.00 C ATOM 349 O ASN A 302 -1.925 -2.543 -13.086 1.00 15.00 O ATOM 350 CB ASN A 302 0.946 -0.888 -12.450 1.00 15.00 C ATOM 351 CG ASN A 302 1.663 0.427 -12.676 1.00 15.00 C ATOM 352 OD1 ASN A 302 1.818 0.880 -13.812 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.112 1.045 -11.595 1.00 15.00 N ATOM 0 H ASN A 302 -0.166 0.191 -10.461 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.947 -0.223 -13.197 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.342 -1.361 -11.551 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.157 -1.559 -13.283 1.00 15.00 H new ATOM 0 HD21 ASN A 302 2.608 1.932 -11.684 1.00 15.00 H new ATOM 0 HD22 ASN A 302 1.962 0.634 -10.673 1.00 15.00 H new ATOM 360 N ASN A 303 -0.968 -2.753 -11.067 1.00 15.00 N ATOM 361 CA ASN A 303 -1.517 -4.076 -10.814 1.00 15.00 C ATOM 362 C ASN A 303 -2.850 -3.974 -10.080 1.00 15.00 C ATOM 363 O ASN A 303 -3.584 -4.958 -9.970 1.00 15.00 O ATOM 364 CB ASN A 303 -0.536 -4.928 -10.008 1.00 15.00 C ATOM 365 CG ASN A 303 0.812 -5.083 -10.692 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.025 -6.006 -11.478 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.732 -4.178 -10.394 1.00 15.00 N ATOM 0 H ASN A 303 -0.383 -2.391 -10.314 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.684 -4.560 -11.776 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.390 -4.476 -9.027 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.970 -5.914 -9.843 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.657 -4.231 -10.821 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.516 -3.428 -9.737 1.00 15.00 H new ATOM 374 N ARG A 304 -3.127 -2.785 -9.534 1.00 15.00 N ATOM 375 CA ARG A 304 -4.354 -2.523 -8.774 1.00 15.00 C ATOM 376 C ARG A 304 -4.368 -3.389 -7.521 1.00 15.00 C ATOM 377 O ARG A 304 -5.409 -3.896 -7.113 1.00 15.00 O ATOM 378 CB ARG A 304 -5.602 -2.814 -9.617 1.00 15.00 C ATOM 379 CG ARG A 304 -5.539 -2.281 -11.039 1.00 15.00 C ATOM 380 CD ARG A 304 -6.584 -2.949 -11.917 1.00 15.00 C ATOM 381 NE ARG A 304 -6.491 -4.409 -11.844 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.436 -5.244 -12.278 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.511 -4.775 -12.901 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.290 -6.553 -12.101 1.00 15.00 N ATOM 0 H ARG A 304 -2.508 -1.978 -9.606 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.369 -1.469 -8.498 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.758 -3.892 -9.653 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.470 -2.383 -9.119 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.698 -1.203 -11.034 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.546 -2.455 -11.453 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.579 -2.631 -11.607 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.454 -2.626 -12.950 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.649 -4.813 -11.435 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.617 -3.771 -13.050 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.231 -5.418 -13.231 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.458 -6.915 -11.635 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -8.010 -7.196 -12.431 1.00 15.00 H new ATOM 398 N THR A 305 -3.209 -3.520 -6.894 1.00 15.00 N ATOM 399 CA THR A 305 -3.037 -4.500 -5.824 1.00 15.00 C ATOM 400 C THR A 305 -2.673 -3.846 -4.487 1.00 15.00 C ATOM 401 O THR A 305 -1.907 -2.880 -4.443 1.00 15.00 O ATOM 402 CB THR A 305 -1.952 -5.532 -6.209 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.251 -6.089 -7.495 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.868 -6.656 -5.186 1.00 15.00 C ATOM 0 H THR A 305 -2.378 -2.967 -7.103 1.00 15.00 H new ATOM 0 HA THR A 305 -3.996 -5.002 -5.697 1.00 15.00 H new ATOM 0 HB THR A 305 -0.992 -5.016 -6.236 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.561 -6.741 -7.737 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.096 -7.364 -5.486 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.620 -6.241 -4.209 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.828 -7.169 -5.129 1.00 15.00 H new ATOM 412 N THR A 306 -3.242 -4.378 -3.407 1.00 15.00 N ATOM 413 CA THR A 306 -2.924 -3.929 -2.061 1.00 15.00 C ATOM 414 C THR A 306 -1.939 -4.892 -1.393 1.00 15.00 C ATOM 415 O THR A 306 -2.130 -6.108 -1.430 1.00 15.00 O ATOM 416 CB THR A 306 -4.193 -3.827 -1.192 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.174 -3.007 -1.842 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.866 -3.246 0.175 1.00 15.00 C ATOM 0 H THR A 306 -3.932 -5.128 -3.444 1.00 15.00 H new ATOM 0 HA THR A 306 -2.472 -2.941 -2.145 1.00 15.00 H new ATOM 0 HB THR A 306 -4.594 -4.832 -1.058 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.825 -2.690 -1.182 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.776 -3.183 0.771 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.145 -3.889 0.680 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.442 -2.249 0.055 1.00 15.00 H new ATOM 426 N GLN A 307 -0.885 -4.348 -0.796 1.00 15.00 N ATOM 427 CA GLN A 307 0.140 -5.157 -0.138 1.00 15.00 C ATOM 428 C GLN A 307 0.417 -4.635 1.271 1.00 15.00 C ATOM 429 O GLN A 307 0.651 -3.445 1.449 1.00 15.00 O ATOM 430 CB GLN A 307 1.434 -5.121 -0.959 1.00 15.00 C ATOM 431 CG GLN A 307 1.304 -5.733 -2.345 1.00 15.00 C ATOM 432 CD GLN A 307 1.212 -7.245 -2.317 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.224 -7.939 -2.390 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.000 -7.766 -2.203 1.00 15.00 N ATOM 0 H GLN A 307 -0.715 -3.343 -0.753 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.222 -6.183 -0.067 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.760 -4.086 -1.059 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.214 -5.649 -0.411 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.417 -5.329 -2.833 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.162 -5.438 -2.949 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -0.815 -7.155 -2.145 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -0.119 -8.779 -2.173 1.00 15.00 H new ATOM 443 N PHE A 308 0.401 -5.520 2.268 1.00 15.00 N ATOM 444 CA PHE A 308 0.739 -5.125 3.640 1.00 15.00 C ATOM 445 C PHE A 308 2.250 -5.075 3.846 1.00 15.00 C ATOM 446 O PHE A 308 2.732 -4.618 4.880 1.00 15.00 O ATOM 447 CB PHE A 308 0.122 -6.069 4.680 1.00 15.00 C ATOM 448 CG PHE A 308 -1.080 -5.502 5.383 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.160 -4.148 5.662 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.114 -6.325 5.790 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.250 -3.626 6.333 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.209 -5.808 6.456 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.277 -4.458 6.729 1.00 15.00 C ATOM 0 H PHE A 308 0.161 -6.505 2.156 1.00 15.00 H new ATOM 0 HA PHE A 308 0.321 -4.129 3.783 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.163 -6.999 4.188 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.880 -6.320 5.422 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.361 -3.492 5.351 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.065 -7.384 5.585 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.298 -2.568 6.547 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.012 -6.462 6.763 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.131 -4.053 7.251 1.00 15.00 H new ATOM 463 N THR A 309 2.994 -5.572 2.872 1.00 15.00 N ATOM 464 CA THR A 309 4.439 -5.608 2.980 1.00 15.00 C ATOM 465 C THR A 309 5.078 -4.441 2.234 1.00 15.00 C ATOM 466 O THR A 309 4.741 -4.153 1.084 1.00 15.00 O ATOM 467 CB THR A 309 5.018 -6.947 2.463 1.00 15.00 C ATOM 468 OG1 THR A 309 6.450 -6.925 2.530 1.00 15.00 O ATOM 469 CG2 THR A 309 4.576 -7.238 1.036 1.00 15.00 C ATOM 0 H THR A 309 2.622 -5.954 2.003 1.00 15.00 H new ATOM 0 HA THR A 309 4.680 -5.519 4.039 1.00 15.00 H new ATOM 0 HB THR A 309 4.633 -7.740 3.104 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.806 -7.777 2.202 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.003 -8.186 0.709 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.488 -7.297 0.997 1.00 15.00 H new ATOM 0 HG23 THR A 309 4.920 -6.439 0.379 1.00 15.00 H new ATOM 477 N ASP A 310 5.993 -3.765 2.913 1.00 15.00 N ATOM 478 CA ASP A 310 6.757 -2.677 2.319 1.00 15.00 C ATOM 479 C ASP A 310 8.158 -3.180 1.970 1.00 15.00 C ATOM 480 O ASP A 310 8.909 -3.601 2.852 1.00 15.00 O ATOM 481 CB ASP A 310 6.832 -1.495 3.298 1.00 15.00 C ATOM 482 CG ASP A 310 7.527 -0.271 2.727 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.713 -0.372 2.371 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.900 0.806 2.672 1.00 15.00 O1- ATOM 0 H ASP A 310 6.227 -3.954 3.888 1.00 15.00 H new ATOM 0 HA ASP A 310 6.266 -2.335 1.408 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.821 -1.220 3.600 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.358 -1.813 4.198 1.00 15.00 H new ATOM 489 N PRO A 311 8.520 -3.159 0.676 1.00 15.00 N ATOM 490 CA PRO A 311 9.808 -3.684 0.194 1.00 15.00 C ATOM 491 C PRO A 311 11.006 -2.859 0.668 1.00 15.00 C ATOM 492 O PRO A 311 12.156 -3.287 0.563 1.00 15.00 O ATOM 493 CB PRO A 311 9.678 -3.614 -1.329 1.00 15.00 C ATOM 494 CG PRO A 311 8.666 -2.550 -1.573 1.00 15.00 C ATOM 495 CD PRO A 311 7.701 -2.621 -0.424 1.00 15.00 C ATOM 0 HA PRO A 311 9.996 -4.687 0.576 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.631 -3.369 -1.797 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.356 -4.569 -1.743 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.137 -1.569 -1.626 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.154 -2.709 -2.522 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.294 -1.640 -0.180 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.855 -3.270 -0.649 1.00 15.00 H new ATOM 503 N ARG A 312 10.725 -1.666 1.160 1.00 15.00 N ATOM 504 CA ARG A 312 11.750 -0.764 1.661 1.00 15.00 C ATOM 505 C ARG A 312 11.979 -1.001 3.156 1.00 15.00 C ATOM 506 O ARG A 312 13.065 -0.758 3.682 1.00 15.00 O ATOM 507 CB ARG A 312 11.311 0.679 1.388 1.00 15.00 C ATOM 508 CG ARG A 312 11.942 1.717 2.291 1.00 15.00 C ATOM 509 CD ARG A 312 11.085 2.965 2.343 1.00 15.00 C ATOM 510 NE ARG A 312 9.711 2.658 2.751 1.00 15.00 N ATOM 511 CZ ARG A 312 8.959 3.460 3.497 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.441 4.621 3.925 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.719 3.101 3.806 1.00 15.00 N ATOM 0 H ARG A 312 9.778 -1.293 1.224 1.00 15.00 H new ATOM 0 HA ARG A 312 12.695 -0.951 1.151 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.548 0.926 0.353 1.00 15.00 H new ATOM 0 HB3 ARG A 312 10.227 0.740 1.490 1.00 15.00 H new ATOM 0 HG2 ARG A 312 12.063 1.309 3.295 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.938 1.968 1.927 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.522 3.679 3.042 1.00 15.00 H new ATOM 0 HD3 ARG A 312 11.076 3.443 1.363 1.00 15.00 H new ATOM 0 HE ARG A 312 9.307 1.774 2.443 1.00 15.00 H new ATOM 0 HH11 ARG A 312 10.391 4.900 3.681 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.861 5.234 4.498 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.347 2.212 3.471 1.00 15.00 H new ATOM 0 HH22 ARG A 312 7.138 3.714 4.378 1.00 15.00 H new ATOM 527 N LEU A 313 10.940 -1.469 3.835 1.00 15.00 N ATOM 528 CA LEU A 313 11.033 -1.777 5.255 1.00 15.00 C ATOM 529 C LEU A 313 11.532 -3.201 5.466 1.00 15.00 C ATOM 530 O LEU A 313 11.901 -3.585 6.580 1.00 15.00 O ATOM 531 CB LEU A 313 9.677 -1.592 5.942 1.00 15.00 C ATOM 532 CG LEU A 313 9.137 -0.161 5.949 1.00 15.00 C ATOM 533 CD1 LEU A 313 7.775 -0.111 6.624 1.00 15.00 C ATOM 534 CD2 LEU A 313 10.115 0.773 6.646 1.00 15.00 C ATOM 0 H LEU A 313 10.023 -1.644 3.425 1.00 15.00 H new ATOM 0 HA LEU A 313 11.747 -1.085 5.701 1.00 15.00 H new ATOM 0 HB2 LEU A 313 8.948 -2.235 5.449 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.761 -1.936 6.973 1.00 15.00 H new ATOM 0 HG LEU A 313 9.022 0.171 4.917 1.00 15.00 H new ATOM 0 HD11 LEU A 313 7.405 0.914 6.621 1.00 15.00 H new ATOM 0 HD12 LEU A 313 7.077 -0.751 6.083 1.00 15.00 H new ATOM 0 HD13 LEU A 313 7.866 -0.461 7.652 1.00 15.00 H new ATOM 0 HD21 LEU A 313 9.715 1.787 6.642 1.00 15.00 H new ATOM 0 HD22 LEU A 313 10.261 0.445 7.675 1.00 15.00 H new ATOM 0 HD23 LEU A 313 11.070 0.757 6.121 1.00 15.00 H new ATOM 546 N HIS A 314 11.522 -3.987 4.399 1.00 15.00 N ATOM 547 CA HIS A 314 12.014 -5.354 4.456 1.00 15.00 C ATOM 548 C HIS A 314 13.535 -5.348 4.412 1.00 15.00 C ATOM 549 O HIS A 314 14.161 -5.421 5.485 1.00 15.00 O ATOM 550 CB HIS A 314 11.445 -6.187 3.298 1.00 15.00 C ATOM 551 CG HIS A 314 11.798 -7.647 3.369 1.00 15.00 C ATOM 552 ND1 HIS A 314 10.852 -8.649 3.436 1.00 15.00 N ATOM 553 CD2 HIS A 314 13.001 -8.273 3.379 1.00 15.00 C ATOM 554 CE1 HIS A 314 11.458 -9.820 3.492 1.00 15.00 C ATOM 555 NE2 HIS A 314 12.759 -9.617 3.456 1.00 15.00 N ATOM 556 OXT HIS A 314 14.093 -5.249 3.304 1.00 15.00 O ATOM 0 H HIS A 314 11.178 -3.700 3.483 1.00 15.00 H new ATOM 0 HA HIS A 314 11.684 -5.810 5.389 1.00 15.00 H new ATOM 0 HB2 HIS A 314 10.360 -6.085 3.289 1.00 15.00 H new ATOM 0 HB3 HIS A 314 11.811 -5.780 2.356 1.00 15.00 H new ATOM 0 HD2 HIS A 314 13.970 -7.798 3.334 1.00 15.00 H new ATOM 0 HE1 HIS A 314 10.970 -10.781 3.556 1.00 15.00 H new ATOM 0 HE2 HIS A 314 13.472 -10.346 3.481 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 2.426 -12.434 6.065 1.00 15.00 N ATOM 567 CA GLU B 203 2.110 -11.456 7.133 1.00 15.00 C ATOM 568 C GLU B 203 1.112 -12.010 8.152 1.00 15.00 C ATOM 569 O GLU B 203 1.182 -11.656 9.329 1.00 15.00 O ATOM 570 CB GLU B 203 1.585 -10.134 6.539 1.00 15.00 C ATOM 571 CG GLU B 203 0.870 -10.277 5.199 1.00 15.00 C ATOM 572 CD GLU B 203 -0.273 -11.264 5.242 1.00 15.00 C ATOM 573 OE1 GLU B 203 -1.392 -10.871 5.609 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -0.036 -12.453 4.940 1.00 15.00 O ATOM 0 HA GLU B 203 3.044 -11.259 7.660 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.901 -9.677 7.254 1.00 15.00 H new ATOM 0 HB3 GLU B 203 2.423 -9.448 6.417 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.490 -9.303 4.890 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.588 -10.594 4.442 1.00 15.00 H new ATOM 583 N LEU B 204 0.175 -12.853 7.700 1.00 15.00 N ATOM 584 CA LEU B 204 -0.864 -13.409 8.579 1.00 15.00 C ATOM 585 C LEU B 204 -1.746 -12.293 9.140 1.00 15.00 C ATOM 586 O LEU B 204 -2.368 -12.450 10.193 1.00 15.00 O ATOM 587 CB LEU B 204 -0.248 -14.210 9.740 1.00 15.00 C ATOM 588 CG LEU B 204 0.265 -15.614 9.398 1.00 15.00 C ATOM 589 CD1 LEU B 204 -0.807 -16.407 8.668 1.00 15.00 C ATOM 590 CD2 LEU B 204 1.546 -15.552 8.581 1.00 15.00 C ATOM 0 H LEU B 204 0.114 -13.166 6.731 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.473 -14.084 7.978 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.580 -13.634 10.152 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.996 -14.301 10.528 1.00 15.00 H new ATOM 0 HG LEU B 204 0.497 -16.125 10.332 1.00 15.00 H new ATOM 0 HD11 LEU B 204 -0.427 -17.401 8.432 1.00 15.00 H new ATOM 0 HD12 LEU B 204 -1.689 -16.496 9.302 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -1.075 -15.893 7.745 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.883 -16.564 8.355 1.00 15.00 H new ATOM 0 HD22 LEU B 204 1.359 -15.016 7.651 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.316 -15.032 9.151 1.00 15.00 H new ATOM 602 N GLU B 205 -1.840 -11.195 8.404 1.00 15.00 N ATOM 603 CA GLU B 205 -2.526 -10.005 8.888 1.00 15.00 C ATOM 604 C GLU B 205 -4.007 -10.023 8.548 1.00 15.00 C ATOM 605 O GLU B 205 -4.470 -10.828 7.737 1.00 15.00 O ATOM 606 CB GLU B 205 -1.896 -8.742 8.299 1.00 15.00 C ATOM 607 CG GLU B 205 -0.579 -8.354 8.939 1.00 15.00 C ATOM 608 CD GLU B 205 -0.709 -8.191 10.440 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.607 -7.440 10.880 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.066 -8.821 11.188 1.00 15.00 O ATOM 0 H GLU B 205 -1.449 -11.103 7.467 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.420 -10.001 9.973 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.739 -8.891 7.231 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.598 -7.915 8.406 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.170 -9.115 8.720 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -0.223 -7.421 8.502 1.00 15.00 H new ATOM 617 N SER B 206 -4.739 -9.116 9.184 1.00 15.00 N ATOM 618 CA SER B 206 -6.133 -8.864 8.857 1.00 15.00 C ATOM 619 C SER B 206 -6.239 -8.479 7.382 1.00 15.00 C ATOM 620 O SER B 206 -5.295 -7.912 6.833 1.00 15.00 O ATOM 621 CB SER B 206 -6.646 -7.719 9.727 1.00 15.00 C ATOM 622 OG SER B 206 -6.133 -7.812 11.049 1.00 15.00 O ATOM 0 H SER B 206 -4.380 -8.535 9.942 1.00 15.00 H new ATOM 0 HA SER B 206 -6.730 -9.757 9.041 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.355 -6.765 9.287 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.735 -7.739 9.754 1.00 15.00 H new ATOM 0 HG SER B 206 -6.475 -7.067 11.586 1.00 15.00 H new ATOM 628 N PRO B 207 -7.384 -8.753 6.732 1.00 15.00 N ATOM 629 CA PRO B 207 -7.565 -8.459 5.303 1.00 15.00 C ATOM 630 C PRO B 207 -7.145 -7.034 4.938 1.00 15.00 C ATOM 631 O PRO B 207 -7.670 -6.059 5.482 1.00 15.00 O ATOM 632 CB PRO B 207 -9.071 -8.646 5.104 1.00 15.00 C ATOM 633 CG PRO B 207 -9.450 -9.660 6.126 1.00 15.00 C ATOM 634 CD PRO B 207 -8.579 -9.385 7.320 1.00 15.00 C ATOM 0 HA PRO B 207 -6.950 -9.098 4.670 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.611 -7.711 5.251 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.300 -8.991 4.096 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.506 -9.578 6.385 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.291 -10.671 5.751 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.072 -8.725 8.034 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.328 -10.302 7.854 1.00 15.00 H new ATOM 642 N PRO B 208 -6.155 -6.914 4.033 1.00 15.00 N ATOM 643 CA PRO B 208 -5.658 -5.622 3.545 1.00 15.00 C ATOM 644 C PRO B 208 -6.775 -4.714 3.027 1.00 15.00 C ATOM 645 O PRO B 208 -7.784 -5.196 2.502 1.00 15.00 O ATOM 646 CB PRO B 208 -4.730 -6.018 2.395 1.00 15.00 C ATOM 647 CG PRO B 208 -4.265 -7.391 2.730 1.00 15.00 C ATOM 648 CD PRO B 208 -5.402 -8.047 3.461 1.00 15.00 C ATOM 0 HA PRO B 208 -5.175 -5.051 4.338 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.256 -6.001 1.440 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.891 -5.327 2.309 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.009 -7.947 1.828 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.369 -7.359 3.350 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.021 -8.639 2.788 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.042 -8.721 4.238 1.00 15.00 H new ATOM 656 N PRO B 209 -6.584 -3.387 3.131 1.00 15.00 N ATOM 657 CA PRO B 209 -7.572 -2.403 2.690 1.00 15.00 C ATOM 658 C PRO B 209 -7.781 -2.468 1.179 1.00 15.00 C ATOM 659 O PRO B 209 -6.822 -2.382 0.412 1.00 15.00 O ATOM 660 CB PRO B 209 -6.957 -1.049 3.096 1.00 15.00 C ATOM 661 CG PRO B 209 -5.852 -1.380 4.036 1.00 15.00 C ATOM 662 CD PRO B 209 -5.373 -2.745 3.653 1.00 15.00 C ATOM 0 HA PRO B 209 -8.553 -2.573 3.134 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.583 -0.511 2.225 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.699 -0.408 3.573 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.046 -0.650 3.962 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.202 -1.366 5.068 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.585 -2.700 2.902 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.967 -3.285 4.509 1.00 15.00 H new ATOM 670 N PRO B 210 -9.038 -2.646 0.740 1.00 15.00 N ATOM 671 CA PRO B 210 -9.377 -2.751 -0.684 1.00 15.00 C ATOM 672 C PRO B 210 -8.814 -1.593 -1.496 1.00 15.00 C ATOM 673 O PRO B 210 -8.899 -0.436 -1.074 1.00 15.00 O ATOM 674 CB PRO B 210 -10.906 -2.710 -0.687 1.00 15.00 C ATOM 675 CG PRO B 210 -11.301 -3.216 0.656 1.00 15.00 C ATOM 676 CD PRO B 210 -10.228 -2.753 1.602 1.00 15.00 C ATOM 0 HA PRO B 210 -8.960 -3.649 -1.139 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.275 -1.698 -0.853 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.317 -3.333 -1.481 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.276 -2.826 0.949 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.380 -4.303 0.656 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.481 -1.796 2.059 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.074 -3.464 2.414 1.00 15.00 H new ATOM 684 N TYR B 211 -8.239 -1.908 -2.655 1.00 15.00 N ATOM 685 CA TYR B 211 -7.676 -0.887 -3.524 1.00 15.00 C ATOM 686 C TYR B 211 -8.751 0.078 -4.006 1.00 15.00 C ATOM 687 O TYR B 211 -9.495 -0.197 -4.953 1.00 15.00 O ATOM 688 CB TYR B 211 -6.916 -1.495 -4.720 1.00 15.00 C ATOM 689 CG TYR B 211 -6.607 -0.492 -5.824 1.00 15.00 C ATOM 690 CD1 TYR B 211 -6.039 0.745 -5.536 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.919 -0.770 -7.153 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.797 1.671 -6.537 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.664 0.155 -8.152 1.00 15.00 C ATOM 694 CZ TYR B 211 -6.116 1.361 -7.840 1.00 15.00 C ATOM 695 OH TYR B 211 -5.909 2.268 -8.849 1.00 15.00 O ATOM 0 H TYR B 211 -8.153 -2.860 -3.010 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.953 -0.330 -2.928 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.982 -1.928 -4.363 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.506 -2.311 -5.137 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.783 0.987 -4.515 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.366 -1.720 -7.408 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.361 2.630 -6.297 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.900 -0.081 -9.179 1.00 15.00 H new ATOM 0 HH TYR B 211 -5.100 2.788 -8.660 1.00 15.00 H new ATOM 705 N SER B 212 -8.866 1.170 -3.279 1.00 15.00 N ATOM 706 CA SER B 212 -9.610 2.327 -3.716 1.00 15.00 C ATOM 707 C SER B 212 -8.655 3.169 -4.545 1.00 15.00 C ATOM 708 O SER B 212 -7.456 3.163 -4.273 1.00 15.00 O ATOM 709 CB SER B 212 -10.132 3.110 -2.506 1.00 15.00 C ATOM 710 OG SER B 212 -11.108 4.060 -2.893 1.00 15.00 O ATOM 0 H SER B 212 -8.440 1.278 -2.359 1.00 15.00 H new ATOM 0 HA SER B 212 -10.480 2.042 -4.308 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.561 2.419 -1.780 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.303 3.617 -2.012 1.00 15.00 H new ATOM 0 HG SER B 212 -11.425 4.544 -2.102 1.00 15.00 H new ATOM 716 N ARG B 213 -9.167 3.913 -5.516 1.00 15.00 N ATOM 717 CA ARG B 213 -8.309 4.547 -6.510 1.00 15.00 C ATOM 718 C ARG B 213 -7.318 5.488 -5.843 1.00 15.00 C ATOM 719 O ARG B 213 -6.114 5.243 -5.863 1.00 15.00 O ATOM 720 CB ARG B 213 -9.147 5.346 -7.506 1.00 15.00 C ATOM 721 CG ARG B 213 -10.120 4.515 -8.317 1.00 15.00 C ATOM 722 CD ARG B 213 -11.173 5.404 -8.950 1.00 15.00 C ATOM 723 NE ARG B 213 -12.029 6.017 -7.932 1.00 15.00 N ATOM 724 CZ ARG B 213 -12.886 7.012 -8.162 1.00 15.00 C ATOM 725 NH1 ARG B 213 -12.997 7.537 -9.377 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -13.637 7.483 -7.173 1.00 15.00 N ATOM 0 H ARG B 213 -10.164 4.092 -5.637 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.768 3.758 -7.032 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.705 6.109 -6.963 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.477 5.868 -8.189 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.583 3.968 -9.092 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.598 3.774 -7.676 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -10.689 6.183 -9.539 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -11.783 4.817 -9.637 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.965 5.657 -6.980 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -12.424 7.179 -10.141 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -13.655 8.298 -9.546 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.558 7.083 -6.238 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -14.293 8.244 -7.349 1.00 15.00 H new ATOM 740 N TYR B 214 -7.810 6.555 -5.249 1.00 15.00 N ATOM 741 CA TYR B 214 -6.933 7.479 -4.558 1.00 15.00 C ATOM 742 C TYR B 214 -7.311 7.577 -3.091 1.00 15.00 C ATOM 743 O TYR B 214 -8.327 8.180 -2.739 1.00 15.00 O ATOM 744 CB TYR B 214 -6.945 8.850 -5.239 1.00 15.00 C ATOM 745 CG TYR B 214 -6.270 8.830 -6.594 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.862 8.187 -7.671 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.029 9.424 -6.786 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.243 8.133 -8.901 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.404 9.383 -8.018 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.013 8.733 -9.072 1.00 15.00 C ATOM 751 OH TYR B 214 -4.384 8.677 -10.296 1.00 15.00 O ATOM 0 H TYR B 214 -8.799 6.803 -5.230 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.913 7.097 -4.611 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.976 9.186 -5.355 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.444 9.575 -4.598 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.827 7.719 -7.543 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.546 9.925 -5.960 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.718 7.624 -9.726 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.444 9.857 -8.155 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.527 9.150 -10.246 1.00 15.00 H new ATOM 761 N PRO B 215 -6.518 6.930 -2.225 1.00 15.00 N ATOM 762 CA PRO B 215 -6.736 6.980 -0.786 1.00 15.00 C ATOM 763 C PRO B 215 -6.364 8.350 -0.229 1.00 15.00 C ATOM 764 O PRO B 215 -5.189 8.676 -0.068 1.00 15.00 O ATOM 765 CB PRO B 215 -5.836 5.863 -0.232 1.00 15.00 C ATOM 766 CG PRO B 215 -4.785 5.643 -1.267 1.00 15.00 C ATOM 767 CD PRO B 215 -5.350 6.106 -2.587 1.00 15.00 C ATOM 0 HA PRO B 215 -7.779 6.833 -0.506 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.393 6.153 0.721 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.407 4.952 -0.054 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.881 6.199 -1.020 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.508 4.590 -1.316 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.617 6.683 -3.151 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.640 5.261 -3.212 1.00 15.00 H new ATOM 775 N MET B 216 -7.380 9.169 0.000 1.00 15.00 N ATOM 776 CA MET B 216 -7.178 10.557 0.386 1.00 15.00 C ATOM 777 C MET B 216 -7.143 10.720 1.898 1.00 15.00 C ATOM 778 O MET B 216 -8.131 10.473 2.596 1.00 15.00 O ATOM 779 CB MET B 216 -8.261 11.447 -0.233 1.00 15.00 C ATOM 780 CG MET B 216 -9.684 10.973 0.035 1.00 15.00 C ATOM 781 SD MET B 216 -10.924 11.934 -0.859 1.00 15.00 S ATOM 782 CE MET B 216 -10.380 11.702 -2.551 1.00 15.00 C ATOM 0 H MET B 216 -8.359 8.893 -0.076 1.00 15.00 H new ATOM 0 HA MET B 216 -6.207 10.871 0.003 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.148 12.460 0.153 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.103 11.497 -1.310 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.771 9.924 -0.247 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.886 11.033 1.104 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.222 11.847 -3.227 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.598 12.425 -2.784 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.988 10.692 -2.672 1.00 15.00 H new ATOM 792 N ASP B 217 -5.992 11.135 2.393 1.00 15.00 N ATOM 793 CA ASP B 217 -5.800 11.375 3.811 1.00 15.00 C ATOM 794 C ASP B 217 -4.788 12.491 3.994 1.00 15.00 C ATOM 795 O ASP B 217 -3.629 12.309 3.564 1.00 15.00 O ATOM 796 CB ASP B 217 -5.321 10.109 4.526 1.00 15.00 C ATOM 797 CG ASP B 217 -5.171 10.320 6.021 1.00 15.00 C ATOM 798 OD1 ASP B 217 -6.175 10.177 6.750 1.00 15.00 O ATOM 799 OD2 ASP B 217 -4.049 10.625 6.478 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -5.154 13.548 4.547 1.00 15.00 O ATOM 0 H ASP B 217 -5.165 11.315 1.824 1.00 15.00 H new ATOM 0 HA ASP B 217 -6.755 11.665 4.250 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -6.029 9.300 4.344 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -4.365 9.796 4.107 1.00 15.00 H new TER 805 ASP B 217