USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 301 HIS : no HE2:sc=0.000239 K(o=0.32,f=-5.9!) USER MOD Set 1.2: B 211 TYR OH : rot 68:sc= 0.321 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -160:sc= -0.377 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 1.1 K(o=1.1,f=-0.41) USER MOD Single : A 303 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 305 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 306 THR OG1 : rot -170:sc= 1.27 USER MOD Single : A 307 GLN : amide:sc= -0.384 K(o=-0.38,f=-4.2!) USER MOD Single : A 309 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 314 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : B 206 SER OG : rot 173:sc= 0.222 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 159:sc= -0.197 (180deg=-0.966) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 13.251 11.227 -0.039 1.00 15.00 N ATOM 2 CA GLY A 280 13.907 9.956 -0.428 1.00 15.00 C ATOM 3 C GLY A 280 13.496 9.515 -1.815 1.00 15.00 C ATOM 4 O GLY A 280 12.861 10.279 -2.541 1.00 15.00 O ATOM 0 HA2 GLY A 280 14.989 10.079 -0.391 1.00 15.00 H new ATOM 0 HA3 GLY A 280 13.650 9.179 0.292 1.00 15.00 H new ATOM 10 N PRO A 281 13.855 8.287 -2.216 1.00 15.00 N ATOM 11 CA PRO A 281 13.494 7.740 -3.523 1.00 15.00 C ATOM 12 C PRO A 281 12.023 7.317 -3.583 1.00 15.00 C ATOM 13 O PRO A 281 11.137 8.172 -3.585 1.00 15.00 O ATOM 14 CB PRO A 281 14.424 6.525 -3.685 1.00 15.00 C ATOM 15 CG PRO A 281 15.359 6.563 -2.519 1.00 15.00 C ATOM 16 CD PRO A 281 14.654 7.332 -1.443 1.00 15.00 C ATOM 0 HA PRO A 281 13.610 8.475 -4.319 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.854 5.596 -3.698 1.00 15.00 H new ATOM 0 HB3 PRO A 281 14.972 6.576 -4.626 1.00 15.00 H new ATOM 0 HG2 PRO A 281 15.602 5.555 -2.182 1.00 15.00 H new ATOM 0 HG3 PRO A 281 16.299 7.044 -2.789 1.00 15.00 H new ATOM 0 HD2 PRO A 281 14.030 6.687 -0.824 1.00 15.00 H new ATOM 0 HD3 PRO A 281 15.355 7.834 -0.776 1.00 15.00 H new ATOM 24 N LEU A 282 11.779 5.999 -3.603 1.00 15.00 N ATOM 25 CA LEU A 282 10.428 5.434 -3.698 1.00 15.00 C ATOM 26 C LEU A 282 9.773 5.788 -5.036 1.00 15.00 C ATOM 27 O LEU A 282 9.468 6.952 -5.308 1.00 15.00 O ATOM 28 CB LEU A 282 9.544 5.896 -2.530 1.00 15.00 C ATOM 29 CG LEU A 282 8.142 5.283 -2.493 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.214 3.781 -2.255 1.00 15.00 C ATOM 31 CD2 LEU A 282 7.299 5.953 -1.420 1.00 15.00 C ATOM 0 H LEU A 282 12.515 5.295 -3.554 1.00 15.00 H new ATOM 0 HA LEU A 282 10.526 4.350 -3.640 1.00 15.00 H new ATOM 0 HB2 LEU A 282 10.052 5.659 -1.595 1.00 15.00 H new ATOM 0 HB3 LEU A 282 9.448 6.981 -2.575 1.00 15.00 H new ATOM 0 HG LEU A 282 7.670 5.451 -3.461 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.206 3.367 -2.233 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.781 3.312 -3.059 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.707 3.587 -1.302 1.00 15.00 H new ATOM 0 HD21 LEU A 282 6.305 5.506 -1.406 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.772 5.816 -0.448 1.00 15.00 H new ATOM 0 HD23 LEU A 282 7.215 7.018 -1.636 1.00 15.00 H new ATOM 43 N PRO A 283 9.574 4.779 -5.900 1.00 15.00 N ATOM 44 CA PRO A 283 8.944 4.964 -7.214 1.00 15.00 C ATOM 45 C PRO A 283 7.581 5.644 -7.109 1.00 15.00 C ATOM 46 O PRO A 283 6.732 5.225 -6.321 1.00 15.00 O ATOM 47 CB PRO A 283 8.791 3.533 -7.739 1.00 15.00 C ATOM 48 CG PRO A 283 9.836 2.753 -7.022 1.00 15.00 C ATOM 49 CD PRO A 283 9.949 3.375 -5.661 1.00 15.00 C ATOM 0 HA PRO A 283 9.535 5.609 -7.865 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.795 3.141 -7.535 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.936 3.490 -8.818 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.558 1.702 -6.949 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.788 2.795 -7.552 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.282 2.897 -4.943 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.960 3.291 -5.262 1.00 15.00 H new ATOM 57 N PRO A 284 7.351 6.697 -7.915 1.00 15.00 N ATOM 58 CA PRO A 284 6.104 7.479 -7.878 1.00 15.00 C ATOM 59 C PRO A 284 4.866 6.673 -8.282 1.00 15.00 C ATOM 60 O PRO A 284 3.743 7.172 -8.214 1.00 15.00 O ATOM 61 CB PRO A 284 6.352 8.614 -8.877 1.00 15.00 C ATOM 62 CG PRO A 284 7.442 8.121 -9.765 1.00 15.00 C ATOM 63 CD PRO A 284 8.296 7.219 -8.917 1.00 15.00 C ATOM 0 HA PRO A 284 5.888 7.820 -6.865 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.451 8.840 -9.448 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.645 9.531 -8.366 1.00 15.00 H new ATOM 0 HG2 PRO A 284 7.034 7.581 -10.620 1.00 15.00 H new ATOM 0 HG3 PRO A 284 8.027 8.951 -10.162 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.741 6.417 -9.506 1.00 15.00 H new ATOM 0 HD3 PRO A 284 9.116 7.764 -8.450 1.00 15.00 H new ATOM 71 N GLY A 285 5.076 5.441 -8.729 1.00 15.00 N ATOM 72 CA GLY A 285 3.963 4.557 -9.017 1.00 15.00 C ATOM 73 C GLY A 285 3.425 3.907 -7.759 1.00 15.00 C ATOM 74 O GLY A 285 2.326 3.348 -7.752 1.00 15.00 O ATOM 0 H GLY A 285 5.998 5.038 -8.897 1.00 15.00 H new ATOM 0 HA2 GLY A 285 3.167 5.120 -9.505 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.283 3.785 -9.717 1.00 15.00 H new ATOM 78 N TRP A 286 4.207 3.986 -6.691 1.00 15.00 N ATOM 79 CA TRP A 286 3.838 3.395 -5.418 1.00 15.00 C ATOM 80 C TRP A 286 3.101 4.402 -4.547 1.00 15.00 C ATOM 81 O TRP A 286 3.699 5.363 -4.060 1.00 15.00 O ATOM 82 CB TRP A 286 5.092 2.865 -4.703 1.00 15.00 C ATOM 83 CG TRP A 286 5.473 1.503 -5.183 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.843 1.156 -6.450 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.481 0.297 -4.416 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.052 -0.197 -6.526 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.834 -0.749 -5.293 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.216 -0.009 -3.076 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.915 -2.075 -4.878 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.293 -1.325 -2.675 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.630 -2.346 -3.570 1.00 15.00 C ATOM 0 H TRP A 286 5.110 4.460 -6.685 1.00 15.00 H new ATOM 0 HA TRP A 286 3.163 2.560 -5.603 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.921 3.553 -4.867 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.911 2.834 -3.629 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.955 1.846 -7.273 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.325 -0.709 -7.365 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.957 0.769 -2.373 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.193 -2.861 -5.565 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.088 -1.574 -1.644 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.665 -3.367 -3.220 1.00 15.00 H new ATOM 102 N GLU A 287 1.798 4.200 -4.362 1.00 15.00 N ATOM 103 CA GLU A 287 1.020 5.098 -3.534 1.00 15.00 C ATOM 104 C GLU A 287 1.001 4.564 -2.105 1.00 15.00 C ATOM 105 O GLU A 287 0.323 3.580 -1.796 1.00 15.00 O ATOM 106 CB GLU A 287 -0.384 5.256 -4.122 1.00 15.00 C ATOM 107 CG GLU A 287 -1.369 6.013 -3.244 1.00 15.00 C ATOM 108 CD GLU A 287 -0.994 7.467 -3.039 1.00 15.00 C ATOM 109 OE1 GLU A 287 -0.950 8.224 -4.030 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.760 7.862 -1.880 1.00 15.00 O1- ATOM 0 H GLU A 287 1.270 3.430 -4.772 1.00 15.00 H new ATOM 0 HA GLU A 287 1.470 6.091 -3.512 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.304 5.771 -5.079 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.790 4.265 -4.326 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.361 5.961 -3.694 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.433 5.521 -2.273 1.00 15.00 H new ATOM 117 N VAL A 288 1.811 5.183 -1.258 1.00 15.00 N ATOM 118 CA VAL A 288 2.026 4.706 0.098 1.00 15.00 C ATOM 119 C VAL A 288 1.072 5.377 1.083 1.00 15.00 C ATOM 120 O VAL A 288 1.036 6.604 1.201 1.00 15.00 O ATOM 121 CB VAL A 288 3.499 4.923 0.531 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.909 6.384 0.394 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.732 4.432 1.949 1.00 15.00 C ATOM 0 H VAL A 288 2.335 6.026 -1.491 1.00 15.00 H new ATOM 0 HA VAL A 288 1.817 3.636 0.108 1.00 15.00 H new ATOM 0 HB VAL A 288 4.125 4.334 -0.139 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.947 6.501 0.706 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.805 6.695 -0.645 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.269 7.002 1.024 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.774 4.597 2.225 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.084 4.978 2.634 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.506 3.367 2.007 1.00 15.00 H new ATOM 133 N ARG A 289 0.287 4.563 1.775 1.00 15.00 N ATOM 134 CA ARG A 289 -0.675 5.062 2.746 1.00 15.00 C ATOM 135 C ARG A 289 -0.594 4.257 4.035 1.00 15.00 C ATOM 136 O ARG A 289 -0.292 3.065 4.011 1.00 15.00 O ATOM 137 CB ARG A 289 -2.087 5.003 2.153 1.00 15.00 C ATOM 138 CG ARG A 289 -2.317 6.037 1.068 1.00 15.00 C ATOM 139 CD ARG A 289 -2.084 7.447 1.590 1.00 15.00 C ATOM 140 NE ARG A 289 -1.847 8.394 0.506 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.831 9.717 0.649 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.052 10.273 1.838 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.586 10.482 -0.405 1.00 15.00 N ATOM 0 H ARG A 289 0.299 3.547 1.680 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.439 6.100 2.982 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.262 4.008 1.742 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.816 5.152 2.949 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.648 5.842 0.229 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.336 5.950 0.690 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.950 7.768 2.170 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.229 7.448 2.266 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.682 8.016 -0.427 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.236 9.684 2.650 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.038 11.288 1.937 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.412 10.056 -1.315 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.572 11.497 -0.306 1.00 15.00 H new ATOM 157 N SER A 290 -0.863 4.906 5.154 1.00 15.00 N ATOM 158 CA SER A 290 -0.795 4.254 6.451 1.00 15.00 C ATOM 159 C SER A 290 -2.166 4.209 7.116 1.00 15.00 C ATOM 160 O SER A 290 -2.952 5.145 7.003 1.00 15.00 O ATOM 161 CB SER A 290 0.199 4.998 7.343 1.00 15.00 C ATOM 162 OG SER A 290 -0.029 6.397 7.308 1.00 15.00 O ATOM 0 H SER A 290 -1.132 5.889 5.191 1.00 15.00 H new ATOM 0 HA SER A 290 -0.459 3.227 6.307 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.112 4.638 8.368 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.216 4.784 7.015 1.00 15.00 H new ATOM 0 HG SER A 290 0.619 6.849 7.888 1.00 15.00 H new ATOM 168 N THR A 291 -2.443 3.118 7.812 1.00 15.00 N ATOM 169 CA THR A 291 -3.672 2.990 8.576 1.00 15.00 C ATOM 170 C THR A 291 -3.433 3.350 10.034 1.00 15.00 C ATOM 171 O THR A 291 -2.360 3.074 10.581 1.00 15.00 O ATOM 172 CB THR A 291 -4.245 1.561 8.509 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.179 0.601 8.460 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.158 1.384 7.310 1.00 15.00 C ATOM 0 H THR A 291 -1.829 2.305 7.863 1.00 15.00 H new ATOM 0 HA THR A 291 -4.392 3.677 8.132 1.00 15.00 H new ATOM 0 HB THR A 291 -4.837 1.397 9.410 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.519 -0.247 8.105 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.544 0.365 7.294 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.989 2.086 7.379 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.597 1.574 6.395 1.00 15.00 H new ATOM 182 N VAL A 292 -4.449 3.941 10.660 1.00 15.00 N ATOM 183 CA VAL A 292 -4.407 4.286 12.080 1.00 15.00 C ATOM 184 C VAL A 292 -4.202 3.032 12.939 1.00 15.00 C ATOM 185 O VAL A 292 -3.855 3.113 14.118 1.00 15.00 O ATOM 186 CB VAL A 292 -5.710 5.015 12.501 1.00 15.00 C ATOM 187 CG1 VAL A 292 -6.917 4.100 12.356 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.606 5.558 13.919 1.00 15.00 C ATOM 0 H VAL A 292 -5.323 4.194 10.198 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.563 4.956 12.241 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.847 5.863 11.830 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -7.818 4.635 12.657 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -7.013 3.786 11.317 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -6.787 3.223 12.990 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.535 6.063 14.184 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -5.430 4.735 14.612 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -4.779 6.265 13.978 1.00 15.00 H new ATOM 198 N SER A 293 -4.412 1.871 12.326 1.00 15.00 N ATOM 199 CA SER A 293 -4.138 0.585 12.955 1.00 15.00 C ATOM 200 C SER A 293 -2.644 0.426 13.255 1.00 15.00 C ATOM 201 O SER A 293 -2.241 -0.471 13.990 1.00 15.00 O ATOM 202 CB SER A 293 -4.607 -0.543 12.037 1.00 15.00 C ATOM 203 OG SER A 293 -5.891 -0.259 11.506 1.00 15.00 O ATOM 0 H SER A 293 -4.778 1.796 11.377 1.00 15.00 H new ATOM 0 HA SER A 293 -4.680 0.539 13.899 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.894 -0.677 11.224 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.637 -1.481 12.592 1.00 15.00 H new ATOM 0 HG SER A 293 -6.172 -0.992 10.920 1.00 15.00 H new ATOM 209 N GLY A 294 -1.831 1.285 12.649 1.00 15.00 N ATOM 210 CA GLY A 294 -0.397 1.201 12.824 1.00 15.00 C ATOM 211 C GLY A 294 0.238 0.312 11.781 1.00 15.00 C ATOM 212 O GLY A 294 1.249 -0.342 12.036 1.00 15.00 O ATOM 0 H GLY A 294 -2.143 2.040 12.038 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.037 2.199 12.765 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.173 0.814 13.818 1.00 15.00 H new ATOM 216 N ARG A 295 -0.352 0.302 10.595 1.00 15.00 N ATOM 217 CA ARG A 295 0.126 -0.543 9.513 1.00 15.00 C ATOM 218 C ARG A 295 0.340 0.270 8.251 1.00 15.00 C ATOM 219 O ARG A 295 -0.457 1.151 7.924 1.00 15.00 O ATOM 220 CB ARG A 295 -0.864 -1.674 9.220 1.00 15.00 C ATOM 221 CG ARG A 295 -0.929 -2.730 10.308 1.00 15.00 C ATOM 222 CD ARG A 295 -1.823 -3.898 9.911 1.00 15.00 C ATOM 223 NE ARG A 295 -3.234 -3.524 9.874 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.226 -4.347 10.215 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.963 -5.593 10.603 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.482 -3.925 10.168 1.00 15.00 N ATOM 0 H ARG A 295 -1.164 0.871 10.358 1.00 15.00 H new ATOM 0 HA ARG A 295 1.075 -0.974 9.831 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.857 -1.247 9.081 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.588 -2.151 8.280 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.076 -3.097 10.519 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.304 -2.281 11.228 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.521 -4.268 8.931 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.684 -4.716 10.617 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.474 -2.580 9.570 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.998 -5.923 10.641 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.726 -6.218 10.863 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.689 -2.971 9.871 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.241 -4.554 10.429 1.00 15.00 H new ATOM 240 N ILE A 296 1.395 -0.051 7.526 1.00 15.00 N ATOM 241 CA ILE A 296 1.628 0.558 6.232 1.00 15.00 C ATOM 242 C ILE A 296 0.941 -0.304 5.183 1.00 15.00 C ATOM 243 O ILE A 296 0.881 -1.526 5.330 1.00 15.00 O ATOM 244 CB ILE A 296 3.144 0.694 5.923 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.369 1.654 4.754 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.777 -0.661 5.627 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.932 3.072 5.052 1.00 15.00 C ATOM 0 H ILE A 296 2.102 -0.728 7.811 1.00 15.00 H new ATOM 0 HA ILE A 296 1.219 1.568 6.227 1.00 15.00 H new ATOM 0 HB ILE A 296 3.628 1.101 6.811 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.427 1.655 4.492 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.825 1.289 3.883 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.838 -0.528 5.415 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.658 -1.315 6.491 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.288 -1.110 4.763 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.119 3.701 4.182 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.867 3.083 5.286 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.494 3.455 5.904 1.00 15.00 H new ATOM 259 N TYR A 297 0.387 0.309 4.154 1.00 15.00 N ATOM 260 CA TYR A 297 -0.426 -0.435 3.215 1.00 15.00 C ATOM 261 C TYR A 297 -0.338 0.193 1.852 1.00 15.00 C ATOM 262 O TYR A 297 -0.444 1.412 1.692 1.00 15.00 O ATOM 263 CB TYR A 297 -1.888 -0.568 3.686 1.00 15.00 C ATOM 264 CG TYR A 297 -2.793 0.632 3.474 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.504 0.795 2.283 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.983 1.571 4.478 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.362 1.862 2.103 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.848 2.635 4.306 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.535 2.777 3.118 1.00 15.00 C ATOM 270 OH TYR A 297 -5.402 3.836 2.948 1.00 15.00 O ATOM 0 H TYR A 297 0.483 1.304 3.950 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.032 -1.450 3.158 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.332 -1.422 3.174 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.881 -0.803 4.750 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.381 0.074 1.489 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.446 1.469 5.409 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.895 1.978 1.171 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.986 3.354 5.100 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.409 4.387 3.759 1.00 15.00 H new ATOM 280 N PHE A 298 -0.125 -0.643 0.877 1.00 15.00 N ATOM 281 CA PHE A 298 0.076 -0.184 -0.456 1.00 15.00 C ATOM 282 C PHE A 298 -1.111 -0.334 -1.337 1.00 15.00 C ATOM 283 O PHE A 298 -1.877 -1.286 -1.238 1.00 15.00 O ATOM 284 CB PHE A 298 1.232 -0.910 -1.071 1.00 15.00 C ATOM 285 CG PHE A 298 2.478 -0.182 -0.821 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.634 1.077 -1.364 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.483 -0.730 -0.057 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.781 1.781 -1.155 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.643 -0.033 0.147 1.00 15.00 C ATOM 290 CZ PHE A 298 4.783 1.222 -0.407 1.00 15.00 C ATOM 0 H PHE A 298 -0.087 -1.656 0.988 1.00 15.00 H new ATOM 0 HA PHE A 298 0.274 0.885 -0.376 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.301 -1.916 -0.657 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.074 -1.017 -2.144 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.841 1.507 -1.959 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.356 -1.709 0.381 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.899 2.769 -1.574 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.441 -0.461 0.736 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.698 1.773 -0.248 1.00 15.00 H new ATOM 300 N VAL A 299 -1.200 0.611 -2.235 1.00 15.00 N ATOM 301 CA VAL A 299 -2.112 0.542 -3.335 1.00 15.00 C ATOM 302 C VAL A 299 -1.338 0.946 -4.587 1.00 15.00 C ATOM 303 O VAL A 299 -0.794 2.060 -4.698 1.00 15.00 O ATOM 304 CB VAL A 299 -3.403 1.386 -3.125 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.151 0.924 -1.883 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.118 2.871 -3.032 1.00 15.00 C ATOM 0 H VAL A 299 -0.633 1.458 -2.219 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.487 -0.476 -3.435 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.026 1.227 -4.005 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.050 1.527 -1.754 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.430 -0.124 -1.995 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.510 1.038 -1.009 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.053 3.412 -2.886 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.453 3.062 -2.190 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.643 3.209 -3.953 1.00 15.00 H new ATOM 316 N ASP A 300 -1.178 -0.025 -5.463 1.00 15.00 N ATOM 317 CA ASP A 300 -0.436 0.164 -6.691 1.00 15.00 C ATOM 318 C ASP A 300 -1.390 0.227 -7.871 1.00 15.00 C ATOM 319 O ASP A 300 -2.306 -0.597 -7.982 1.00 15.00 O ATOM 320 CB ASP A 300 0.588 -0.962 -6.878 1.00 15.00 C ATOM 321 CG ASP A 300 0.784 -1.312 -8.341 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.419 -0.517 -9.060 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.271 -2.361 -8.783 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.558 -0.964 -5.344 1.00 15.00 H new ATOM 0 HA ASP A 300 0.106 1.108 -6.633 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.542 -0.660 -6.446 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.258 -1.847 -6.334 1.00 15.00 H new ATOM 328 N HIS A 301 -1.144 1.192 -8.755 1.00 15.00 N ATOM 329 CA HIS A 301 -2.031 1.468 -9.880 1.00 15.00 C ATOM 330 C HIS A 301 -1.796 0.512 -11.048 1.00 15.00 C ATOM 331 O HIS A 301 -2.615 0.442 -11.966 1.00 15.00 O ATOM 332 CB HIS A 301 -1.846 2.904 -10.378 1.00 15.00 C ATOM 333 CG HIS A 301 -2.342 3.969 -9.444 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.678 4.260 -9.280 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.670 4.848 -8.660 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.808 5.283 -8.450 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.604 5.653 -8.057 1.00 15.00 N ATOM 0 H HIS A 301 -0.327 1.802 -8.711 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.048 1.327 -9.513 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.786 3.073 -10.567 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.361 3.011 -11.333 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.448 3.764 -9.729 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.599 4.904 -8.534 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.740 5.737 -8.147 1.00 15.00 H new ATOM 346 N ASN A 302 -0.672 -0.199 -11.033 1.00 15.00 N ATOM 347 CA ASN A 302 -0.329 -1.093 -12.140 1.00 15.00 C ATOM 348 C ASN A 302 -1.178 -2.353 -12.089 1.00 15.00 C ATOM 349 O ASN A 302 -1.904 -2.670 -13.032 1.00 15.00 O ATOM 350 CB ASN A 302 1.157 -1.480 -12.112 1.00 15.00 C ATOM 351 CG ASN A 302 2.093 -0.307 -12.334 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.416 0.042 -13.466 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.550 0.300 -11.251 1.00 15.00 N ATOM 0 H ASN A 302 0.012 -0.176 -10.276 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.529 -0.554 -13.066 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.386 -1.940 -11.151 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.343 -2.233 -12.878 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.193 1.086 -11.340 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.259 -0.018 -10.327 1.00 15.00 H new ATOM 360 N ASN A 303 -1.078 -3.070 -10.982 1.00 15.00 N ATOM 361 CA ASN A 303 -1.828 -4.304 -10.788 1.00 15.00 C ATOM 362 C ASN A 303 -3.147 -4.039 -10.079 1.00 15.00 C ATOM 363 O ASN A 303 -4.015 -4.913 -10.030 1.00 15.00 O ATOM 364 CB ASN A 303 -1.005 -5.332 -10.005 1.00 15.00 C ATOM 365 CG ASN A 303 -0.136 -6.202 -10.900 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.268 -5.674 -12.048 1.00 15.00 O flip ATOM 367 ND2 ASN A 303 0.163 -7.347 -10.563 1.00 15.00 N flip ATOM 0 H ASN A 303 -0.479 -2.817 -10.196 1.00 15.00 H new ATOM 0 HA ASN A 303 -2.044 -4.713 -11.775 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.371 -4.811 -9.287 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.679 -5.969 -9.432 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -0.166 -7.719 -9.672 1.00 15.00 H new ATOM 0 HD22 ASN A 303 0.740 -7.924 -11.174 1.00 15.00 H new ATOM 374 N ARG A 304 -3.273 -2.846 -9.492 1.00 15.00 N ATOM 375 CA ARG A 304 -4.460 -2.464 -8.723 1.00 15.00 C ATOM 376 C ARG A 304 -4.582 -3.373 -7.512 1.00 15.00 C ATOM 377 O ARG A 304 -5.624 -3.991 -7.276 1.00 15.00 O ATOM 378 CB ARG A 304 -5.733 -2.550 -9.574 1.00 15.00 C ATOM 379 CG ARG A 304 -5.630 -1.854 -10.923 1.00 15.00 C ATOM 380 CD ARG A 304 -6.751 -2.290 -11.853 1.00 15.00 C ATOM 381 NE ARG A 304 -6.770 -3.743 -12.015 1.00 15.00 N ATOM 382 CZ ARG A 304 -6.779 -4.370 -13.187 1.00 15.00 C ATOM 383 NH1 ARG A 304 -6.826 -3.673 -14.312 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.756 -5.697 -13.223 1.00 15.00 N ATOM 0 H ARG A 304 -2.558 -2.120 -9.536 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.347 -1.428 -8.403 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.977 -3.600 -9.737 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.561 -2.113 -9.015 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.670 -0.774 -10.782 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.666 -2.080 -11.379 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.708 -1.953 -11.455 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -6.625 -1.815 -12.826 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.777 -4.315 -11.170 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -6.855 -2.654 -14.280 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -6.833 -4.155 -15.211 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.732 -6.230 -12.354 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -6.763 -6.183 -14.120 1.00 15.00 H new ATOM 398 N THR A 305 -3.510 -3.455 -6.748 1.00 15.00 N ATOM 399 CA THR A 305 -3.435 -4.422 -5.662 1.00 15.00 C ATOM 400 C THR A 305 -2.994 -3.770 -4.354 1.00 15.00 C ATOM 401 O THR A 305 -2.151 -2.871 -4.350 1.00 15.00 O ATOM 402 CB THR A 305 -2.472 -5.571 -6.033 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.913 -6.201 -7.246 1.00 15.00 O ATOM 404 CG2 THR A 305 -2.391 -6.614 -4.927 1.00 15.00 C ATOM 0 H THR A 305 -2.682 -2.869 -6.855 1.00 15.00 H new ATOM 0 HA THR A 305 -4.436 -4.826 -5.512 1.00 15.00 H new ATOM 0 HB THR A 305 -1.480 -5.141 -6.171 1.00 15.00 H new ATOM 0 HG1 THR A 305 -2.299 -6.928 -7.479 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.704 -7.407 -5.224 1.00 15.00 H new ATOM 0 HG22 THR A 305 -2.031 -6.146 -4.011 1.00 15.00 H new ATOM 0 HG23 THR A 305 -3.380 -7.037 -4.753 1.00 15.00 H new ATOM 412 N THR A 306 -3.596 -4.218 -3.258 1.00 15.00 N ATOM 413 CA THR A 306 -3.233 -3.756 -1.930 1.00 15.00 C ATOM 414 C THR A 306 -2.230 -4.716 -1.290 1.00 15.00 C ATOM 415 O THR A 306 -2.447 -5.927 -1.272 1.00 15.00 O ATOM 416 CB THR A 306 -4.472 -3.647 -1.025 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.493 -2.882 -1.680 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.115 -2.994 0.302 1.00 15.00 C ATOM 0 H THR A 306 -4.346 -4.909 -3.268 1.00 15.00 H new ATOM 0 HA THR A 306 -2.783 -2.769 -2.034 1.00 15.00 H new ATOM 0 HB THR A 306 -4.842 -4.653 -0.830 1.00 15.00 H new ATOM 0 HG1 THR A 306 -6.215 -2.689 -1.046 1.00 15.00 H new ATOM 0 HG21 THR A 306 -5.006 -2.927 0.926 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.360 -3.593 0.811 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.723 -1.993 0.121 1.00 15.00 H new ATOM 426 N GLN A 307 -1.138 -4.172 -0.771 1.00 15.00 N ATOM 427 CA GLN A 307 -0.081 -4.991 -0.183 1.00 15.00 C ATOM 428 C GLN A 307 0.294 -4.485 1.208 1.00 15.00 C ATOM 429 O GLN A 307 0.559 -3.301 1.385 1.00 15.00 O ATOM 430 CB GLN A 307 1.165 -4.962 -1.077 1.00 15.00 C ATOM 431 CG GLN A 307 0.940 -5.489 -2.489 1.00 15.00 C ATOM 432 CD GLN A 307 0.806 -7.001 -2.552 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.338 -7.646 -1.615 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.222 -7.580 -3.669 1.00 15.00 N ATOM 0 H GLN A 307 -0.959 -3.168 -0.744 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.455 -6.011 -0.100 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.529 -3.936 -1.139 1.00 15.00 H new ATOM 0 HB3 GLN A 307 1.951 -5.551 -0.604 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.039 -5.034 -2.900 1.00 15.00 H new ATOM 0 HG3 GLN A 307 1.771 -5.178 -3.122 1.00 15.00 H new ATOM 0 HE21 GLN A 307 1.605 -7.013 -4.425 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.159 -8.593 -3.772 1.00 15.00 H new ATOM 443 N PHE A 308 0.323 -5.380 2.190 1.00 15.00 N ATOM 444 CA PHE A 308 0.876 -5.040 3.502 1.00 15.00 C ATOM 445 C PHE A 308 2.396 -5.192 3.477 1.00 15.00 C ATOM 446 O PHE A 308 3.091 -4.810 4.417 1.00 15.00 O ATOM 447 CB PHE A 308 0.277 -5.904 4.628 1.00 15.00 C ATOM 448 CG PHE A 308 -0.916 -5.281 5.317 1.00 15.00 C ATOM 449 CD1 PHE A 308 -0.998 -3.910 5.477 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.933 -6.067 5.838 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.068 -3.336 6.139 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.006 -5.497 6.492 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.073 -4.132 6.644 1.00 15.00 C ATOM 0 H PHE A 308 -0.024 -6.335 2.108 1.00 15.00 H new ATOM 0 HA PHE A 308 0.611 -4.004 3.713 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.019 -6.868 4.213 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.050 -6.100 5.371 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.216 -3.279 5.080 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.884 -7.141 5.730 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.116 -2.264 6.260 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.793 -6.123 6.885 1.00 15.00 H new ATOM 0 HZ PHE A 308 -3.911 -3.685 7.158 1.00 15.00 H new ATOM 463 N THR A 309 2.892 -5.776 2.394 1.00 15.00 N ATOM 464 CA THR A 309 4.312 -6.023 2.218 1.00 15.00 C ATOM 465 C THR A 309 5.028 -4.784 1.675 1.00 15.00 C ATOM 466 O THR A 309 4.850 -4.418 0.511 1.00 15.00 O ATOM 467 CB THR A 309 4.527 -7.186 1.230 1.00 15.00 C ATOM 468 OG1 THR A 309 3.543 -8.207 1.452 1.00 15.00 O ATOM 469 CG2 THR A 309 5.918 -7.782 1.383 1.00 15.00 C ATOM 0 H THR A 309 2.317 -6.091 1.613 1.00 15.00 H new ATOM 0 HA THR A 309 4.726 -6.274 3.195 1.00 15.00 H new ATOM 0 HB THR A 309 4.426 -6.793 0.218 1.00 15.00 H new ATOM 0 HG1 THR A 309 3.761 -8.698 2.272 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.043 -8.601 0.674 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.666 -7.014 1.187 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.043 -8.159 2.398 1.00 15.00 H new ATOM 477 N ASP A 310 5.824 -4.133 2.518 1.00 15.00 N ATOM 478 CA ASP A 310 6.635 -2.997 2.079 1.00 15.00 C ATOM 479 C ASP A 310 8.052 -3.470 1.750 1.00 15.00 C ATOM 480 O ASP A 310 8.705 -4.134 2.562 1.00 15.00 O ATOM 481 CB ASP A 310 6.677 -1.900 3.150 1.00 15.00 C ATOM 482 CG ASP A 310 7.466 -0.682 2.702 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.712 -0.745 2.694 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.847 0.346 2.368 1.00 15.00 O1- ATOM 0 H ASP A 310 5.926 -4.369 3.505 1.00 15.00 H new ATOM 0 HA ASP A 310 6.179 -2.574 1.184 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.659 -1.599 3.398 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.121 -2.302 4.061 1.00 15.00 H new ATOM 489 N PRO A 311 8.553 -3.120 0.555 1.00 15.00 N ATOM 490 CA PRO A 311 9.831 -3.628 0.046 1.00 15.00 C ATOM 491 C PRO A 311 11.068 -3.034 0.726 1.00 15.00 C ATOM 492 O PRO A 311 12.165 -3.574 0.583 1.00 15.00 O ATOM 493 CB PRO A 311 9.802 -3.234 -1.430 1.00 15.00 C ATOM 494 CG PRO A 311 8.933 -2.024 -1.480 1.00 15.00 C ATOM 495 CD PRO A 311 7.901 -2.205 -0.401 1.00 15.00 C ATOM 0 HA PRO A 311 9.920 -4.698 0.235 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.803 -3.018 -1.802 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.399 -4.037 -2.047 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.516 -1.118 -1.313 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.461 -1.924 -2.457 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.640 -1.256 0.067 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.978 -2.630 -0.796 1.00 15.00 H new ATOM 503 N ARG A 312 10.908 -1.936 1.460 1.00 15.00 N ATOM 504 CA ARG A 312 12.062 -1.262 2.056 1.00 15.00 C ATOM 505 C ARG A 312 12.590 -2.054 3.248 1.00 15.00 C ATOM 506 O ARG A 312 13.726 -1.860 3.689 1.00 15.00 O ATOM 507 CB ARG A 312 11.703 0.167 2.489 1.00 15.00 C ATOM 508 CG ARG A 312 11.336 0.298 3.963 1.00 15.00 C ATOM 509 CD ARG A 312 10.678 1.633 4.256 1.00 15.00 C ATOM 510 NE ARG A 312 9.362 1.729 3.635 1.00 15.00 N ATOM 511 CZ ARG A 312 8.619 2.831 3.623 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.048 3.935 4.219 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.436 2.816 3.026 1.00 15.00 N ATOM 0 H ARG A 312 10.008 -1.499 1.655 1.00 15.00 H new ATOM 0 HA ARG A 312 12.843 -1.205 1.298 1.00 15.00 H new ATOM 0 HB2 ARG A 312 12.548 0.822 2.276 1.00 15.00 H new ATOM 0 HB3 ARG A 312 10.867 0.519 1.885 1.00 15.00 H new ATOM 0 HG2 ARG A 312 10.661 -0.511 4.244 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.233 0.192 4.573 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.583 1.764 5.334 1.00 15.00 H new ATOM 0 HD3 ARG A 312 11.313 2.440 3.891 1.00 15.00 H new ATOM 0 HE ARG A 312 8.987 0.896 3.180 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.953 3.942 4.690 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.473 4.778 4.206 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.101 1.962 2.580 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.861 3.658 3.013 1.00 15.00 H new ATOM 527 N LEU A 313 11.750 -2.943 3.768 1.00 15.00 N ATOM 528 CA LEU A 313 12.105 -3.761 4.921 1.00 15.00 C ATOM 529 C LEU A 313 13.001 -4.920 4.506 1.00 15.00 C ATOM 530 O LEU A 313 13.547 -5.630 5.349 1.00 15.00 O ATOM 531 CB LEU A 313 10.842 -4.294 5.599 1.00 15.00 C ATOM 532 CG LEU A 313 9.863 -3.224 6.083 1.00 15.00 C ATOM 533 CD1 LEU A 313 8.621 -3.872 6.676 1.00 15.00 C ATOM 534 CD2 LEU A 313 10.524 -2.311 7.104 1.00 15.00 C ATOM 0 H LEU A 313 10.812 -3.116 3.406 1.00 15.00 H new ATOM 0 HA LEU A 313 12.652 -3.137 5.627 1.00 15.00 H new ATOM 0 HB2 LEU A 313 10.323 -4.950 4.900 1.00 15.00 H new ATOM 0 HB3 LEU A 313 11.137 -4.906 6.451 1.00 15.00 H new ATOM 0 HG LEU A 313 9.566 -2.619 5.226 1.00 15.00 H new ATOM 0 HD11 LEU A 313 7.934 -3.097 7.016 1.00 15.00 H new ATOM 0 HD12 LEU A 313 8.132 -4.483 5.917 1.00 15.00 H new ATOM 0 HD13 LEU A 313 8.906 -4.500 7.520 1.00 15.00 H new ATOM 0 HD21 LEU A 313 9.809 -1.557 7.435 1.00 15.00 H new ATOM 0 HD22 LEU A 313 10.852 -2.900 7.960 1.00 15.00 H new ATOM 0 HD23 LEU A 313 11.385 -1.820 6.650 1.00 15.00 H new ATOM 546 N HIS A 314 13.132 -5.110 3.203 1.00 15.00 N ATOM 547 CA HIS A 314 13.910 -6.215 2.664 1.00 15.00 C ATOM 548 C HIS A 314 15.280 -5.724 2.226 1.00 15.00 C ATOM 549 O HIS A 314 16.280 -6.076 2.883 1.00 15.00 O ATOM 550 CB HIS A 314 13.179 -6.869 1.486 1.00 15.00 C ATOM 551 CG HIS A 314 11.840 -7.437 1.851 1.00 15.00 C ATOM 552 ND1 HIS A 314 11.632 -8.770 2.123 1.00 15.00 N ATOM 553 CD2 HIS A 314 10.633 -6.838 1.992 1.00 15.00 C ATOM 554 CE1 HIS A 314 10.360 -8.966 2.416 1.00 15.00 C ATOM 555 NE2 HIS A 314 9.729 -7.809 2.346 1.00 15.00 N ATOM 556 OXT HIS A 314 15.347 -4.947 1.251 1.00 15.00 O ATOM 0 H HIS A 314 12.707 -4.510 2.496 1.00 15.00 H new ATOM 0 HA HIS A 314 14.036 -6.963 3.447 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.048 -6.130 0.695 1.00 15.00 H new ATOM 0 HB3 HIS A 314 13.803 -7.664 1.078 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.421 -5.788 1.852 1.00 15.00 H new ATOM 0 HE1 HIS A 314 9.911 -9.915 2.670 1.00 15.00 H new ATOM 0 HE2 HIS A 314 8.736 -7.661 2.525 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.275 -12.870 5.238 1.00 15.00 N ATOM 567 CA GLU B 203 1.743 -11.694 6.005 1.00 15.00 C ATOM 568 C GLU B 203 1.305 -11.780 7.468 1.00 15.00 C ATOM 569 O GLU B 203 1.728 -10.965 8.289 1.00 15.00 O ATOM 570 CB GLU B 203 1.207 -10.400 5.382 1.00 15.00 C ATOM 571 CG GLU B 203 1.412 -10.309 3.877 1.00 15.00 C ATOM 572 CD GLU B 203 2.807 -10.712 3.457 1.00 15.00 C ATOM 573 OE1 GLU B 203 3.716 -9.859 3.490 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 2.997 -11.894 3.105 1.00 15.00 O ATOM 0 HA GLU B 203 2.832 -11.686 5.969 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.142 -10.318 5.599 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.696 -9.550 5.857 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.686 -10.949 3.375 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.218 -9.288 3.548 1.00 15.00 H new ATOM 583 N LEU B 204 0.434 -12.755 7.777 1.00 15.00 N ATOM 584 CA LEU B 204 -0.060 -12.980 9.144 1.00 15.00 C ATOM 585 C LEU B 204 -0.920 -11.793 9.610 1.00 15.00 C ATOM 586 O LEU B 204 -1.349 -11.718 10.760 1.00 15.00 O ATOM 587 CB LEU B 204 1.140 -13.232 10.087 1.00 15.00 C ATOM 588 CG LEU B 204 0.856 -13.955 11.415 1.00 15.00 C ATOM 589 CD1 LEU B 204 0.603 -12.966 12.541 1.00 15.00 C ATOM 590 CD2 LEU B 204 -0.323 -14.907 11.273 1.00 15.00 C ATOM 0 H LEU B 204 0.055 -13.406 7.089 1.00 15.00 H new ATOM 0 HA LEU B 204 -0.700 -13.862 9.163 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.883 -13.812 9.540 1.00 15.00 H new ATOM 0 HB3 LEU B 204 1.595 -12.269 10.318 1.00 15.00 H new ATOM 0 HG LEU B 204 1.743 -14.536 11.668 1.00 15.00 H new ATOM 0 HD11 LEU B 204 0.406 -13.509 13.465 1.00 15.00 H new ATOM 0 HD12 LEU B 204 1.480 -12.333 12.673 1.00 15.00 H new ATOM 0 HD13 LEU B 204 -0.259 -12.346 12.294 1.00 15.00 H new ATOM 0 HD21 LEU B 204 -0.504 -15.406 12.225 1.00 15.00 H new ATOM 0 HD22 LEU B 204 -1.211 -14.346 10.983 1.00 15.00 H new ATOM 0 HD23 LEU B 204 -0.099 -15.652 10.509 1.00 15.00 H new ATOM 602 N GLU B 205 -1.236 -10.905 8.680 1.00 15.00 N ATOM 603 CA GLU B 205 -2.005 -9.712 8.997 1.00 15.00 C ATOM 604 C GLU B 205 -3.470 -9.872 8.638 1.00 15.00 C ATOM 605 O GLU B 205 -3.848 -10.765 7.876 1.00 15.00 O ATOM 606 CB GLU B 205 -1.440 -8.492 8.269 1.00 15.00 C ATOM 607 CG GLU B 205 -0.273 -7.839 8.984 1.00 15.00 C ATOM 608 CD GLU B 205 -0.580 -7.563 10.445 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.541 -6.811 10.723 1.00 15.00 O1- ATOM 610 OE2 GLU B 205 0.130 -8.105 11.321 1.00 15.00 O ATOM 0 H GLU B 205 -0.971 -10.988 7.698 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.927 -9.564 10.074 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.121 -8.792 7.271 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.234 -7.756 8.142 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.602 -8.485 8.914 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -0.020 -6.904 8.484 1.00 15.00 H new ATOM 617 N SER B 206 -4.278 -8.987 9.197 1.00 15.00 N ATOM 618 CA SER B 206 -5.691 -8.904 8.877 1.00 15.00 C ATOM 619 C SER B 206 -5.864 -8.479 7.418 1.00 15.00 C ATOM 620 O SER B 206 -4.938 -7.918 6.831 1.00 15.00 O ATOM 621 CB SER B 206 -6.345 -7.887 9.808 1.00 15.00 C ATOM 622 OG SER B 206 -5.838 -8.021 11.127 1.00 15.00 O ATOM 0 H SER B 206 -3.970 -8.303 9.888 1.00 15.00 H new ATOM 0 HA SER B 206 -6.165 -9.876 9.012 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.159 -6.878 9.442 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.425 -8.031 9.811 1.00 15.00 H new ATOM 0 HG SER B 206 -6.181 -7.292 11.685 1.00 15.00 H new ATOM 628 N PRO B 207 -7.040 -8.737 6.817 1.00 15.00 N ATOM 629 CA PRO B 207 -7.307 -8.359 5.424 1.00 15.00 C ATOM 630 C PRO B 207 -6.993 -6.889 5.145 1.00 15.00 C ATOM 631 O PRO B 207 -7.558 -5.989 5.772 1.00 15.00 O ATOM 632 CB PRO B 207 -8.808 -8.621 5.274 1.00 15.00 C ATOM 633 CG PRO B 207 -9.099 -9.688 6.268 1.00 15.00 C ATOM 634 CD PRO B 207 -8.190 -9.424 7.434 1.00 15.00 C ATOM 0 HA PRO B 207 -6.686 -8.917 4.724 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.390 -7.722 5.475 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.056 -8.942 4.262 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.145 -9.662 6.574 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.915 -10.676 5.846 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.673 -8.803 8.188 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.889 -10.348 7.927 1.00 15.00 H new ATOM 642 N PRO B 208 -6.064 -6.639 4.208 1.00 15.00 N ATOM 643 CA PRO B 208 -5.676 -5.283 3.821 1.00 15.00 C ATOM 644 C PRO B 208 -6.832 -4.500 3.191 1.00 15.00 C ATOM 645 O PRO B 208 -7.779 -5.088 2.661 1.00 15.00 O ATOM 646 CB PRO B 208 -4.548 -5.492 2.803 1.00 15.00 C ATOM 647 CG PRO B 208 -4.638 -6.914 2.370 1.00 15.00 C ATOM 648 CD PRO B 208 -5.291 -7.667 3.494 1.00 15.00 C ATOM 0 HA PRO B 208 -5.372 -4.694 4.686 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.661 -4.818 1.953 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.576 -5.282 3.250 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.222 -7.003 1.454 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.648 -7.317 2.158 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.935 -8.463 3.120 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.551 -8.134 4.144 1.00 15.00 H new ATOM 656 N PRO B 209 -6.740 -3.158 3.217 1.00 15.00 N ATOM 657 CA PRO B 209 -7.794 -2.261 2.723 1.00 15.00 C ATOM 658 C PRO B 209 -8.044 -2.427 1.225 1.00 15.00 C ATOM 659 O PRO B 209 -7.104 -2.393 0.433 1.00 15.00 O ATOM 660 CB PRO B 209 -7.230 -0.857 2.996 1.00 15.00 C ATOM 661 CG PRO B 209 -6.136 -1.052 3.976 1.00 15.00 C ATOM 662 CD PRO B 209 -5.579 -2.411 3.710 1.00 15.00 C ATOM 0 HA PRO B 209 -8.749 -2.463 3.208 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.858 -0.399 2.080 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.000 -0.196 3.394 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.368 -0.287 3.860 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.510 -0.977 4.997 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.777 -2.380 2.972 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.165 -2.860 4.613 1.00 15.00 H new ATOM 670 N PRO B 210 -9.312 -2.608 0.819 1.00 15.00 N ATOM 671 CA PRO B 210 -9.688 -2.685 -0.596 1.00 15.00 C ATOM 672 C PRO B 210 -9.158 -1.485 -1.378 1.00 15.00 C ATOM 673 O PRO B 210 -9.328 -0.337 -0.953 1.00 15.00 O ATOM 674 CB PRO B 210 -11.225 -2.686 -0.574 1.00 15.00 C ATOM 675 CG PRO B 210 -11.613 -2.321 0.823 1.00 15.00 C ATOM 676 CD PRO B 210 -10.475 -2.754 1.701 1.00 15.00 C ATOM 0 HA PRO B 210 -9.272 -3.565 -1.087 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.627 -1.970 -1.291 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.619 -3.665 -0.846 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.786 -1.248 0.911 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.539 -2.818 1.112 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.390 -2.129 2.590 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.597 -3.782 2.044 1.00 15.00 H new ATOM 684 N TYR B 211 -8.524 -1.752 -2.518 1.00 15.00 N ATOM 685 CA TYR B 211 -7.861 -0.707 -3.287 1.00 15.00 C ATOM 686 C TYR B 211 -8.838 0.376 -3.725 1.00 15.00 C ATOM 687 O TYR B 211 -9.657 0.184 -4.626 1.00 15.00 O ATOM 688 CB TYR B 211 -7.120 -1.300 -4.502 1.00 15.00 C ATOM 689 CG TYR B 211 -6.633 -0.266 -5.509 1.00 15.00 C ATOM 690 CD1 TYR B 211 -6.078 0.936 -5.087 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.732 -0.487 -6.885 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.645 1.883 -5.991 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.291 0.467 -7.792 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.757 1.639 -7.336 1.00 15.00 C ATOM 695 OH TYR B 211 -5.341 2.574 -8.239 1.00 15.00 O ATOM 0 H TYR B 211 -8.457 -2.684 -2.928 1.00 15.00 H new ATOM 0 HA TYR B 211 -7.125 -0.240 -2.632 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.264 -1.873 -4.146 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.783 -2.000 -5.010 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.984 1.133 -4.029 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.157 -1.411 -7.248 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.220 2.812 -5.642 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.370 0.284 -8.853 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.365 2.653 -8.202 1.00 15.00 H new ATOM 705 N SER B 212 -8.767 1.496 -3.028 1.00 15.00 N ATOM 706 CA SER B 212 -9.444 2.705 -3.439 1.00 15.00 C ATOM 707 C SER B 212 -8.490 3.470 -4.342 1.00 15.00 C ATOM 708 O SER B 212 -7.311 3.591 -4.016 1.00 15.00 O ATOM 709 CB SER B 212 -9.813 3.525 -2.205 1.00 15.00 C ATOM 710 OG SER B 212 -10.458 2.710 -1.236 1.00 15.00 O ATOM 0 H SER B 212 -8.237 1.589 -2.161 1.00 15.00 H new ATOM 0 HA SER B 212 -10.366 2.485 -3.977 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.915 3.969 -1.775 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.469 4.347 -2.491 1.00 15.00 H new ATOM 0 HG SER B 212 -10.685 3.252 -0.452 1.00 15.00 H new ATOM 716 N ARG B 213 -8.992 4.011 -5.443 1.00 15.00 N ATOM 717 CA ARG B 213 -8.127 4.503 -6.509 1.00 15.00 C ATOM 718 C ARG B 213 -7.195 5.596 -6.011 1.00 15.00 C ATOM 719 O ARG B 213 -5.983 5.515 -6.194 1.00 15.00 O ATOM 720 CB ARG B 213 -8.958 5.005 -7.689 1.00 15.00 C ATOM 721 CG ARG B 213 -9.755 3.910 -8.374 1.00 15.00 C ATOM 722 CD ARG B 213 -10.456 4.422 -9.619 1.00 15.00 C ATOM 723 NE ARG B 213 -11.508 5.390 -9.315 1.00 15.00 N ATOM 724 CZ ARG B 213 -12.473 5.728 -10.170 1.00 15.00 C ATOM 725 NH1 ARG B 213 -12.515 5.184 -11.383 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -13.392 6.613 -9.809 1.00 15.00 N ATOM 0 H ARG B 213 -9.990 4.121 -5.622 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.511 3.669 -6.845 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.643 5.778 -7.339 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.296 5.472 -8.418 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.090 3.089 -8.642 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.493 3.508 -7.680 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.723 4.884 -10.280 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.888 3.580 -10.160 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.503 5.832 -8.396 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -11.807 4.505 -11.662 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -13.255 5.446 -12.034 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.359 7.033 -8.880 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -14.132 6.874 -10.460 1.00 15.00 H new ATOM 740 N TYR B 214 -7.754 6.628 -5.407 1.00 15.00 N ATOM 741 CA TYR B 214 -6.936 7.658 -4.793 1.00 15.00 C ATOM 742 C TYR B 214 -7.240 7.760 -3.306 1.00 15.00 C ATOM 743 O TYR B 214 -8.218 8.392 -2.903 1.00 15.00 O ATOM 744 CB TYR B 214 -7.122 9.006 -5.494 1.00 15.00 C ATOM 745 CG TYR B 214 -6.494 9.049 -6.870 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.946 8.217 -7.884 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.442 9.909 -7.151 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.373 8.237 -9.136 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.863 9.939 -8.406 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.333 9.100 -9.396 1.00 15.00 C ATOM 751 OH TYR B 214 -4.760 9.121 -10.648 1.00 15.00 O ATOM 0 H TYR B 214 -8.760 6.775 -5.328 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.889 7.376 -4.907 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.187 9.220 -5.580 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.687 9.793 -4.878 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.764 7.540 -7.687 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.070 10.565 -6.378 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.738 7.579 -9.910 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.047 10.616 -8.611 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.040 9.786 -10.667 1.00 15.00 H new ATOM 761 N PRO B 215 -6.440 7.083 -2.472 1.00 15.00 N ATOM 762 CA PRO B 215 -6.612 7.112 -1.029 1.00 15.00 C ATOM 763 C PRO B 215 -5.970 8.343 -0.406 1.00 15.00 C ATOM 764 O PRO B 215 -4.750 8.497 -0.417 1.00 15.00 O ATOM 765 CB PRO B 215 -5.913 5.833 -0.566 1.00 15.00 C ATOM 766 CG PRO B 215 -4.852 5.580 -1.586 1.00 15.00 C ATOM 767 CD PRO B 215 -5.305 6.229 -2.875 1.00 15.00 C ATOM 0 HA PRO B 215 -7.660 7.162 -0.734 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.483 5.956 0.428 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.613 4.999 -0.510 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.899 5.996 -1.260 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.701 4.510 -1.727 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.506 6.816 -3.327 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.609 5.484 -3.611 1.00 15.00 H new ATOM 775 N MET B 216 -6.796 9.241 0.101 1.00 15.00 N ATOM 776 CA MET B 216 -6.294 10.443 0.737 1.00 15.00 C ATOM 777 C MET B 216 -6.346 10.291 2.247 1.00 15.00 C ATOM 778 O MET B 216 -7.399 10.447 2.865 1.00 15.00 O ATOM 779 CB MET B 216 -7.080 11.679 0.290 1.00 15.00 C ATOM 780 CG MET B 216 -6.943 11.978 -1.194 1.00 15.00 C ATOM 781 SD MET B 216 -7.804 13.484 -1.689 1.00 15.00 S ATOM 782 CE MET B 216 -6.950 14.703 -0.693 1.00 15.00 C ATOM 0 H MET B 216 -7.813 9.160 0.084 1.00 15.00 H new ATOM 0 HA MET B 216 -5.257 10.585 0.431 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.134 11.536 0.528 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.739 12.543 0.860 1.00 15.00 H new ATOM 0 HG2 MET B 216 -5.886 12.070 -1.445 1.00 15.00 H new ATOM 0 HG3 MET B 216 -7.334 11.137 -1.767 1.00 15.00 H new ATOM 0 HE1 MET B 216 -7.086 15.691 -1.132 1.00 15.00 H new ATOM 0 HE2 MET B 216 -7.356 14.696 0.318 1.00 15.00 H new ATOM 0 HE3 MET B 216 -5.887 14.465 -0.659 1.00 15.00 H new ATOM 792 N ASP B 217 -5.214 9.930 2.825 1.00 15.00 N ATOM 793 CA ASP B 217 -5.115 9.723 4.259 1.00 15.00 C ATOM 794 C ASP B 217 -3.703 10.032 4.710 1.00 15.00 C ATOM 795 O ASP B 217 -3.521 11.004 5.465 1.00 15.00 O ATOM 796 CB ASP B 217 -5.484 8.284 4.629 1.00 15.00 C ATOM 797 CG ASP B 217 -5.764 8.125 6.111 1.00 15.00 C ATOM 798 OD1 ASP B 217 -6.924 8.352 6.523 1.00 15.00 O1- ATOM 799 OD2 ASP B 217 -4.836 7.773 6.866 1.00 15.00 O ATOM 800 OXT ASP B 217 -2.770 9.342 4.245 1.00 15.00 O ATOM 0 H ASP B 217 -4.343 9.773 2.318 1.00 15.00 H new ATOM 0 HA ASP B 217 -5.815 10.390 4.762 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -6.363 7.979 4.061 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -4.671 7.617 4.341 1.00 15.00 H new TER 805 ASP B 217