USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 502 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 354 THR OG1 : rot 180:sc= -0.618 USER MOD Set 1.2: A 355 LYS NZ :NH3+ 142:sc= 0.644 (180deg=-0.166) USER MOD Set 2.1: A 340 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.732) USER MOD Set 2.2: A 347 SER OG : rot 63:sc= 0.853 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN :FLIP amide:sc= -1.08 F(o=-3.1!,f=-1.1) USER MOD Single : A 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 329 LYS NZ :NH3+ -151:sc= -0.0633 (180deg=-0.585) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl -164:sc= -14! (180deg=-15.2!) USER MOD Single : A 338 SER OG : rot -160:sc= -2.6! USER MOD Single : A 339 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0366) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN :FLIP amide:sc= -0.601 F(o=-1.6,f=-0.6) USER MOD Single : A 358 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 361 TYR OH : rot -99:sc= 0.159 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.090 12.607 -3.641 1.00 0.00 N ATOM 2 CA PHE A 310 5.365 11.483 -3.060 1.00 0.00 C ATOM 3 C PHE A 310 5.915 11.089 -1.688 1.00 0.00 C ATOM 4 O PHE A 310 5.825 11.857 -0.726 1.00 0.00 O ATOM 5 CB PHE A 310 5.387 10.280 -4.002 1.00 0.00 C ATOM 6 CG PHE A 310 4.878 10.559 -5.348 1.00 0.00 C ATOM 7 CD1 PHE A 310 3.534 10.723 -5.561 1.00 0.00 C ATOM 8 CD2 PHE A 310 5.746 10.625 -6.405 1.00 0.00 C ATOM 9 CE1 PHE A 310 3.056 10.954 -6.818 1.00 0.00 C ATOM 10 CE2 PHE A 310 5.285 10.858 -7.665 1.00 0.00 C ATOM 11 CZ PHE A 310 3.931 11.025 -7.885 1.00 0.00 C ATOM 0 HA PHE A 310 4.334 11.807 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.411 9.914 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.795 9.477 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 310 2.849 10.669 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 310 6.805 10.491 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 310 1.996 11.081 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 310 5.977 10.912 -8.492 1.00 0.00 H new ATOM 0 HZ PHE A 310 3.560 11.209 -8.882 1.00 0.00 H new ATOM 21 N ALA A 311 6.460 9.876 -1.595 1.00 0.00 N ATOM 22 CA ALA A 311 6.989 9.378 -0.337 1.00 0.00 C ATOM 23 C ALA A 311 8.313 8.648 -0.518 1.00 0.00 C ATOM 24 O ALA A 311 8.716 8.313 -1.631 1.00 0.00 O ATOM 25 CB ALA A 311 5.978 8.451 0.319 1.00 0.00 C ATOM 0 H ALA A 311 6.544 9.226 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 311 7.174 10.241 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.381 8.081 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 311 5.054 8.997 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.773 7.609 -0.343 1.00 0.00 H new ATOM 31 N ARG A 312 8.975 8.398 0.603 1.00 0.00 N ATOM 32 CA ARG A 312 10.246 7.694 0.615 1.00 0.00 C ATOM 33 C ARG A 312 10.152 6.488 1.538 1.00 0.00 C ATOM 34 O ARG A 312 9.187 6.349 2.288 1.00 0.00 O ATOM 35 CB ARG A 312 11.380 8.616 1.062 1.00 0.00 C ATOM 36 CG ARG A 312 12.714 8.268 0.442 1.00 0.00 C ATOM 37 CD ARG A 312 13.858 8.866 1.233 1.00 0.00 C ATOM 38 NE ARG A 312 13.618 8.831 2.673 1.00 0.00 N ATOM 39 CZ ARG A 312 14.157 9.693 3.531 1.00 0.00 C ATOM 40 NH1 ARG A 312 14.948 10.663 3.093 1.00 0.00 N ATOM 41 NH2 ARG A 312 13.902 9.587 4.828 1.00 0.00 N ATOM 0 H ARG A 312 8.646 8.678 1.527 1.00 0.00 H new ATOM 0 HA ARG A 312 10.467 7.358 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 312 11.125 9.644 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.469 8.571 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.826 7.185 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.748 8.634 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 312 14.775 8.322 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.013 9.898 0.918 1.00 0.00 H new ATOM 0 HE ARG A 312 13.003 8.105 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 312 15.145 10.750 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 312 15.360 11.322 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 312 13.292 8.844 5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 312 14.316 10.249 5.485 1.00 0.00 H new ATOM 55 N ALA A 313 11.139 5.610 1.474 1.00 0.00 N ATOM 56 CA ALA A 313 11.131 4.414 2.310 1.00 0.00 C ATOM 57 C ALA A 313 12.024 4.590 3.533 1.00 0.00 C ATOM 58 O ALA A 313 13.233 4.789 3.416 1.00 0.00 O ATOM 59 CB ALA A 313 11.582 3.206 1.508 1.00 0.00 C ATOM 0 H ALA A 313 11.949 5.698 0.860 1.00 0.00 H new ATOM 0 HA ALA A 313 10.109 4.253 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.571 2.322 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.906 3.055 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.593 3.373 1.136 1.00 0.00 H new ATOM 65 N LEU A 314 11.405 4.514 4.711 1.00 0.00 N ATOM 66 CA LEU A 314 12.119 4.664 5.972 1.00 0.00 C ATOM 67 C LEU A 314 12.903 3.398 6.292 1.00 0.00 C ATOM 68 O LEU A 314 14.133 3.382 6.235 1.00 0.00 O ATOM 69 CB LEU A 314 11.134 4.965 7.107 1.00 0.00 C ATOM 70 CG LEU A 314 11.188 6.390 7.663 1.00 0.00 C ATOM 71 CD1 LEU A 314 12.617 6.787 8.003 1.00 0.00 C ATOM 72 CD2 LEU A 314 10.581 7.366 6.668 1.00 0.00 C ATOM 0 H LEU A 314 10.404 4.348 4.815 1.00 0.00 H new ATOM 0 HA LEU A 314 12.816 5.496 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.123 4.771 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.322 4.267 7.923 1.00 0.00 H new ATOM 0 HG LEU A 314 10.604 6.423 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 314 12.628 7.804 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 314 13.016 6.104 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 314 13.232 6.739 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 314 10.626 8.376 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 314 11.140 7.327 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 314 9.542 7.096 6.481 1.00 0.00 H new ATOM 84 N TYR A 315 12.174 2.338 6.622 1.00 0.00 N ATOM 85 CA TYR A 315 12.786 1.058 6.945 1.00 0.00 C ATOM 86 C TYR A 315 12.411 0.011 5.903 1.00 0.00 C ATOM 87 O TYR A 315 11.378 0.126 5.242 1.00 0.00 O ATOM 88 CB TYR A 315 12.344 0.589 8.334 1.00 0.00 C ATOM 89 CG TYR A 315 12.542 1.621 9.421 1.00 0.00 C ATOM 90 CD1 TYR A 315 11.578 2.591 9.669 1.00 0.00 C ATOM 91 CD2 TYR A 315 13.689 1.623 10.203 1.00 0.00 C ATOM 92 CE1 TYR A 315 11.754 3.535 10.664 1.00 0.00 C ATOM 93 CE2 TYR A 315 13.873 2.562 11.200 1.00 0.00 C ATOM 94 CZ TYR A 315 12.902 3.516 11.426 1.00 0.00 C ATOM 95 OH TYR A 315 13.081 4.453 12.420 1.00 0.00 O ATOM 0 H TYR A 315 11.155 2.342 6.672 1.00 0.00 H new ATOM 0 HA TYR A 315 13.868 1.187 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.290 0.314 8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.899 -0.312 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 315 10.676 2.608 9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 315 14.451 0.878 10.029 1.00 0.00 H new ATOM 0 HE1 TYR A 315 10.996 4.283 10.843 1.00 0.00 H new ATOM 0 HE2 TYR A 315 14.772 2.549 11.799 1.00 0.00 H new ATOM 0 HH TYR A 315 13.941 4.299 12.863 1.00 0.00 H new ATOM 105 N ASP A 316 13.251 -1.007 5.764 1.00 0.00 N ATOM 106 CA ASP A 316 13.004 -2.078 4.804 1.00 0.00 C ATOM 107 C ASP A 316 11.620 -2.685 5.022 1.00 0.00 C ATOM 108 O ASP A 316 11.406 -3.419 5.986 1.00 0.00 O ATOM 109 CB ASP A 316 14.078 -3.161 4.939 1.00 0.00 C ATOM 110 CG ASP A 316 13.853 -4.329 3.999 1.00 0.00 C ATOM 111 OD1 ASP A 316 13.015 -5.197 4.321 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.518 -4.377 2.943 1.00 0.00 O ATOM 0 H ASP A 316 14.110 -1.114 6.304 1.00 0.00 H new ATOM 0 HA ASP A 316 13.044 -1.658 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 316 15.056 -2.723 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.094 -3.525 5.966 1.00 0.00 H new ATOM 117 N PHE A 317 10.681 -2.371 4.131 1.00 0.00 N ATOM 118 CA PHE A 317 9.332 -2.887 4.251 1.00 0.00 C ATOM 119 C PHE A 317 9.198 -4.240 3.552 1.00 0.00 C ATOM 120 O PHE A 317 10.065 -4.632 2.770 1.00 0.00 O ATOM 121 CB PHE A 317 8.310 -1.882 3.708 1.00 0.00 C ATOM 122 CG PHE A 317 6.882 -2.310 3.883 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.291 -2.329 5.137 1.00 0.00 C ATOM 124 CD2 PHE A 317 6.133 -2.700 2.787 1.00 0.00 C ATOM 125 CE1 PHE A 317 4.979 -2.730 5.291 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.820 -3.104 2.936 1.00 0.00 C ATOM 127 CZ PHE A 317 4.243 -3.119 4.190 1.00 0.00 C ATOM 0 H PHE A 317 10.835 -1.765 3.325 1.00 0.00 H new ATOM 0 HA PHE A 317 9.123 -3.037 5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.456 -0.925 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.503 -1.720 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.863 -2.027 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.580 -2.689 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.529 -2.739 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.246 -3.408 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.217 -3.435 4.309 1.00 0.00 H new ATOM 137 N VAL A 318 8.109 -4.957 3.844 1.00 0.00 N ATOM 138 CA VAL A 318 7.865 -6.269 3.254 1.00 0.00 C ATOM 139 C VAL A 318 6.365 -6.541 3.171 1.00 0.00 C ATOM 140 O VAL A 318 5.611 -6.134 4.054 1.00 0.00 O ATOM 141 CB VAL A 318 8.526 -7.405 4.074 1.00 0.00 C ATOM 142 CG1 VAL A 318 9.114 -8.462 3.152 1.00 0.00 C ATOM 143 CG2 VAL A 318 9.596 -6.861 5.004 1.00 0.00 C ATOM 0 H VAL A 318 7.382 -4.646 4.488 1.00 0.00 H new ATOM 0 HA VAL A 318 8.306 -6.255 2.257 1.00 0.00 H new ATOM 0 HB VAL A 318 7.751 -7.868 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.573 -9.250 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 318 8.323 -8.888 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 318 9.868 -8.006 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 318 10.041 -7.682 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.368 -6.362 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 318 9.148 -6.148 5.697 1.00 0.00 H new ATOM 153 N PRO A 319 5.908 -7.234 2.111 1.00 0.00 N ATOM 154 CA PRO A 319 4.491 -7.552 1.931 1.00 0.00 C ATOM 155 C PRO A 319 3.820 -8.025 3.215 1.00 0.00 C ATOM 156 O PRO A 319 4.038 -9.152 3.659 1.00 0.00 O ATOM 157 CB PRO A 319 4.519 -8.680 0.903 1.00 0.00 C ATOM 158 CG PRO A 319 5.728 -8.404 0.081 1.00 0.00 C ATOM 159 CD PRO A 319 6.732 -7.759 1.003 1.00 0.00 C ATOM 0 HA PRO A 319 3.917 -6.678 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.581 -9.655 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.616 -8.683 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.127 -9.325 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.488 -7.745 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.468 -8.479 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.282 -6.963 0.501 1.00 0.00 H new ATOM 167 N GLU A 320 2.994 -7.157 3.802 1.00 0.00 N ATOM 168 CA GLU A 320 2.281 -7.495 5.028 1.00 0.00 C ATOM 169 C GLU A 320 1.583 -8.837 4.858 1.00 0.00 C ATOM 170 O GLU A 320 1.550 -9.657 5.776 1.00 0.00 O ATOM 171 CB GLU A 320 1.259 -6.407 5.377 1.00 0.00 C ATOM 172 CG GLU A 320 0.100 -6.903 6.230 1.00 0.00 C ATOM 173 CD GLU A 320 -0.645 -5.776 6.917 1.00 0.00 C ATOM 174 OE1 GLU A 320 -1.513 -5.155 6.267 1.00 0.00 O ATOM 175 OE2 GLU A 320 -0.363 -5.516 8.106 1.00 0.00 O ATOM 0 H GLU A 320 2.805 -6.219 3.448 1.00 0.00 H new ATOM 0 HA GLU A 320 2.999 -7.563 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 320 1.767 -5.600 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 320 0.863 -5.984 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.594 -7.462 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 320 0.478 -7.595 6.983 1.00 0.00 H new ATOM 182 N ASN A 321 1.046 -9.054 3.664 1.00 0.00 N ATOM 183 CA ASN A 321 0.366 -10.297 3.347 1.00 0.00 C ATOM 184 C ASN A 321 0.814 -10.788 1.977 1.00 0.00 C ATOM 185 O ASN A 321 1.022 -9.983 1.069 1.00 0.00 O ATOM 186 CB ASN A 321 -1.152 -10.098 3.367 1.00 0.00 C ATOM 187 CG ASN A 321 -1.824 -10.906 4.460 1.00 0.00 C ATOM 188 OD1 ASN A 321 -2.035 -12.190 4.201 1.00 0.00 O flip ATOM 189 ND2 ASN A 321 -2.148 -10.381 5.526 1.00 0.00 N flip ATOM 0 H ASN A 321 1.070 -8.380 2.898 1.00 0.00 H new ATOM 0 HA ASN A 321 0.623 -11.043 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -1.376 -9.041 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.566 -10.384 2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -1.966 -9.390 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -2.598 -10.938 6.253 1.00 0.00 H new ATOM 196 N PRO A 322 0.977 -12.110 1.802 1.00 0.00 N ATOM 197 CA PRO A 322 1.403 -12.677 0.524 1.00 0.00 C ATOM 198 C PRO A 322 0.271 -12.667 -0.494 1.00 0.00 C ATOM 199 O PRO A 322 0.080 -13.626 -1.243 1.00 0.00 O ATOM 200 CB PRO A 322 1.794 -14.109 0.888 1.00 0.00 C ATOM 201 CG PRO A 322 0.952 -14.439 2.073 1.00 0.00 C ATOM 202 CD PRO A 322 0.762 -13.149 2.829 1.00 0.00 C ATOM 0 HA PRO A 322 2.213 -12.113 0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 322 1.602 -14.794 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 322 2.856 -14.182 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 322 -0.008 -14.854 1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 322 1.437 -15.188 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 322 -0.235 -13.082 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 322 1.474 -13.056 3.649 1.00 0.00 H new ATOM 210 N GLU A 323 -0.482 -11.572 -0.507 1.00 0.00 N ATOM 211 CA GLU A 323 -1.602 -11.420 -1.419 1.00 0.00 C ATOM 212 C GLU A 323 -1.531 -10.078 -2.136 1.00 0.00 C ATOM 213 O GLU A 323 -1.758 -10.002 -3.345 1.00 0.00 O ATOM 214 CB GLU A 323 -2.924 -11.544 -0.652 1.00 0.00 C ATOM 215 CG GLU A 323 -4.115 -10.925 -1.370 1.00 0.00 C ATOM 216 CD GLU A 323 -4.948 -11.951 -2.114 1.00 0.00 C ATOM 217 OE1 GLU A 323 -4.361 -12.780 -2.842 1.00 0.00 O ATOM 218 OE2 GLU A 323 -6.188 -11.926 -1.968 1.00 0.00 O ATOM 0 H GLU A 323 -0.332 -10.773 0.110 1.00 0.00 H new ATOM 0 HA GLU A 323 -1.552 -12.211 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.130 -12.599 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.813 -11.069 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -4.744 -10.410 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -3.759 -10.173 -2.074 1.00 0.00 H new ATOM 225 N MET A 324 -1.223 -9.018 -1.391 1.00 0.00 N ATOM 226 CA MET A 324 -1.140 -7.689 -1.985 1.00 0.00 C ATOM 227 C MET A 324 -0.423 -6.682 -1.086 1.00 0.00 C ATOM 228 O MET A 324 -1.015 -6.138 -0.155 1.00 0.00 O ATOM 229 CB MET A 324 -2.549 -7.178 -2.262 1.00 0.00 C ATOM 230 CG MET A 324 -2.590 -5.926 -3.122 1.00 0.00 C ATOM 231 SD MET A 324 -4.067 -5.844 -4.153 1.00 0.00 S ATOM 232 CE MET A 324 -3.462 -4.880 -5.535 1.00 0.00 C ATOM 0 H MET A 324 -1.030 -9.053 -0.390 1.00 0.00 H new ATOM 0 HA MET A 324 -0.561 -7.782 -2.904 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.120 -7.965 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 324 -3.044 -6.972 -1.313 1.00 0.00 H new ATOM 0 HG2 MET A 324 -2.550 -5.046 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 324 -1.705 -5.897 -3.758 1.00 0.00 H new ATOM 0 HE1 MET A 324 -4.263 -4.743 -6.261 1.00 0.00 H new ATOM 0 HE2 MET A 324 -3.124 -3.907 -5.179 1.00 0.00 H new ATOM 0 HE3 MET A 324 -2.630 -5.403 -6.007 1.00 0.00 H new ATOM 242 N GLU A 325 0.836 -6.402 -1.408 1.00 0.00 N ATOM 243 CA GLU A 325 1.621 -5.416 -0.668 1.00 0.00 C ATOM 244 C GLU A 325 2.904 -5.079 -1.415 1.00 0.00 C ATOM 245 O GLU A 325 3.272 -5.761 -2.373 1.00 0.00 O ATOM 246 CB GLU A 325 1.924 -5.869 0.758 1.00 0.00 C ATOM 247 CG GLU A 325 1.965 -4.719 1.750 1.00 0.00 C ATOM 248 CD GLU A 325 0.590 -4.334 2.258 1.00 0.00 C ATOM 249 OE1 GLU A 325 -0.340 -4.227 1.432 1.00 0.00 O ATOM 250 OE2 GLU A 325 0.443 -4.141 3.482 1.00 0.00 O ATOM 0 H GLU A 325 1.337 -6.845 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 325 1.014 -4.514 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.167 -6.587 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 325 2.882 -6.388 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 325 2.595 -4.996 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 325 2.428 -3.853 1.277 1.00 0.00 H new ATOM 257 N VAL A 326 3.570 -4.017 -0.985 1.00 0.00 N ATOM 258 CA VAL A 326 4.801 -3.576 -1.626 1.00 0.00 C ATOM 259 C VAL A 326 6.031 -3.964 -0.813 1.00 0.00 C ATOM 260 O VAL A 326 5.926 -4.328 0.358 1.00 0.00 O ATOM 261 CB VAL A 326 4.796 -2.054 -1.823 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.750 -1.654 -2.850 1.00 0.00 C ATOM 263 CG2 VAL A 326 4.549 -1.344 -0.500 1.00 0.00 C ATOM 0 H VAL A 326 3.278 -3.444 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 326 4.849 -4.074 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 326 5.775 -1.751 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.760 -0.571 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 326 3.974 -2.133 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 326 2.765 -1.970 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 326 4.549 -0.266 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 326 3.584 -1.651 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 326 5.337 -1.606 0.206 1.00 0.00 H new ATOM 273 N ALA A 327 7.197 -3.883 -1.447 1.00 0.00 N ATOM 274 CA ALA A 327 8.456 -4.220 -0.794 1.00 0.00 C ATOM 275 C ALA A 327 9.368 -2.998 -0.734 1.00 0.00 C ATOM 276 O ALA A 327 9.438 -2.222 -1.688 1.00 0.00 O ATOM 277 CB ALA A 327 9.144 -5.361 -1.525 1.00 0.00 C ATOM 0 H ALA A 327 7.295 -3.585 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 327 8.242 -4.542 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.082 -5.600 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.497 -6.238 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.347 -5.064 -2.554 1.00 0.00 H new ATOM 283 N LEU A 328 10.057 -2.821 0.391 1.00 0.00 N ATOM 284 CA LEU A 328 10.949 -1.679 0.561 1.00 0.00 C ATOM 285 C LEU A 328 12.280 -2.083 1.169 1.00 0.00 C ATOM 286 O LEU A 328 12.329 -2.892 2.093 1.00 0.00 O ATOM 287 CB LEU A 328 10.309 -0.639 1.470 1.00 0.00 C ATOM 288 CG LEU A 328 9.202 0.205 0.842 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.833 1.355 1.764 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.615 0.724 -0.529 1.00 0.00 C ATOM 0 H LEU A 328 10.015 -3.450 1.193 1.00 0.00 H new ATOM 0 HA LEU A 328 11.124 -1.267 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.900 -1.149 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 328 11.090 0.031 1.830 1.00 0.00 H new ATOM 0 HG LEU A 328 8.326 -0.429 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 328 8.043 1.950 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.483 0.959 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.708 1.982 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.806 1.321 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 328 10.508 1.341 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.826 -0.118 -1.188 1.00 0.00 H new ATOM 302 N LYS A 329 13.348 -1.475 0.667 1.00 0.00 N ATOM 303 CA LYS A 329 14.690 -1.724 1.171 1.00 0.00 C ATOM 304 C LYS A 329 15.248 -0.438 1.772 1.00 0.00 C ATOM 305 O LYS A 329 15.612 0.479 1.037 1.00 0.00 O ATOM 306 CB LYS A 329 15.602 -2.219 0.047 1.00 0.00 C ATOM 307 CG LYS A 329 15.315 -1.574 -1.299 1.00 0.00 C ATOM 308 CD LYS A 329 16.577 -1.004 -1.925 1.00 0.00 C ATOM 309 CE LYS A 329 16.869 -1.651 -3.268 1.00 0.00 C ATOM 310 NZ LYS A 329 16.975 -3.132 -3.160 1.00 0.00 N ATOM 0 H LYS A 329 13.308 -0.800 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 329 14.646 -2.496 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.639 -2.024 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 329 15.495 -3.300 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 329 14.876 -2.312 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 329 14.579 -0.780 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.467 0.073 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 329 17.421 -1.160 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 329 16.079 -1.394 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 329 17.799 -1.249 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 17.619 -3.488 -3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 17.345 -3.386 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 16.035 -3.558 -3.288 1.00 0.00 H new ATOM 324 N LYS A 330 15.283 -0.382 3.110 1.00 0.00 N ATOM 325 CA LYS A 330 15.767 0.791 3.852 1.00 0.00 C ATOM 326 C LYS A 330 16.456 1.808 2.950 1.00 0.00 C ATOM 327 O LYS A 330 17.581 1.595 2.498 1.00 0.00 O ATOM 328 CB LYS A 330 16.721 0.364 4.965 1.00 0.00 C ATOM 329 CG LYS A 330 16.676 1.273 6.175 1.00 0.00 C ATOM 330 CD LYS A 330 16.799 0.488 7.470 1.00 0.00 C ATOM 331 CE LYS A 330 16.747 1.403 8.682 1.00 0.00 C ATOM 332 NZ LYS A 330 18.098 1.628 9.266 1.00 0.00 N ATOM 0 H LYS A 330 14.977 -1.149 3.709 1.00 0.00 H new ATOM 0 HA LYS A 330 14.890 1.273 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.476 -0.652 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.738 0.342 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 330 17.484 2.002 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.741 1.833 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 330 15.994 -0.244 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.737 -0.068 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 330 16.311 2.360 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 330 16.093 0.968 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 18.019 2.257 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 18.504 0.718 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 18.716 2.067 8.553 1.00 0.00 H new ATOM 346 N GLY A 331 15.764 2.913 2.688 1.00 0.00 N ATOM 347 CA GLY A 331 16.311 3.950 1.835 1.00 0.00 C ATOM 348 C GLY A 331 15.577 4.039 0.511 1.00 0.00 C ATOM 349 O GLY A 331 15.745 5.003 -0.237 1.00 0.00 O ATOM 0 H GLY A 331 14.832 3.108 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.253 4.910 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.367 3.750 1.652 1.00 0.00 H new ATOM 353 N ASP A 332 14.771 3.020 0.224 1.00 0.00 N ATOM 354 CA ASP A 332 14.014 2.948 -0.991 1.00 0.00 C ATOM 355 C ASP A 332 13.081 4.154 -1.133 1.00 0.00 C ATOM 356 O ASP A 332 13.145 5.092 -0.341 1.00 0.00 O ATOM 357 CB ASP A 332 13.235 1.627 -1.017 1.00 0.00 C ATOM 358 CG ASP A 332 12.741 1.257 -2.401 1.00 0.00 C ATOM 359 OD1 ASP A 332 13.240 1.839 -3.387 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.858 0.379 -2.500 1.00 0.00 O ATOM 0 H ASP A 332 14.634 2.221 0.844 1.00 0.00 H new ATOM 0 HA ASP A 332 14.694 2.975 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.873 0.828 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 332 12.383 1.701 -0.341 1.00 0.00 H new ATOM 365 N LEU A 333 12.214 4.127 -2.139 1.00 0.00 N ATOM 366 CA LEU A 333 11.274 5.222 -2.364 1.00 0.00 C ATOM 367 C LEU A 333 9.919 4.671 -2.808 1.00 0.00 C ATOM 368 O LEU A 333 9.849 3.576 -3.366 1.00 0.00 O ATOM 369 CB LEU A 333 11.818 6.178 -3.429 1.00 0.00 C ATOM 370 CG LEU A 333 12.323 7.522 -2.905 1.00 0.00 C ATOM 371 CD1 LEU A 333 13.677 7.856 -3.512 1.00 0.00 C ATOM 372 CD2 LEU A 333 11.315 8.622 -3.205 1.00 0.00 C ATOM 0 H LEU A 333 12.141 3.362 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 333 11.148 5.768 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.634 5.683 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.033 6.364 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 333 12.441 7.449 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 333 14.021 8.816 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.396 7.080 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 333 13.586 7.911 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 333 11.690 9.572 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 333 11.166 8.695 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 333 10.366 8.387 -2.723 1.00 0.00 H new ATOM 384 N MET A 334 8.846 5.423 -2.553 1.00 0.00 N ATOM 385 CA MET A 334 7.500 4.982 -2.925 1.00 0.00 C ATOM 386 C MET A 334 6.530 6.156 -3.070 1.00 0.00 C ATOM 387 O MET A 334 6.685 7.189 -2.423 1.00 0.00 O ATOM 388 CB MET A 334 6.975 4.005 -1.880 1.00 0.00 C ATOM 389 CG MET A 334 7.534 2.613 -2.016 1.00 0.00 C ATOM 390 SD MET A 334 6.673 1.412 -0.972 1.00 0.00 S ATOM 391 CE MET A 334 6.074 2.446 0.365 1.00 0.00 C ATOM 0 H MET A 334 8.882 6.333 -2.094 1.00 0.00 H new ATOM 0 HA MET A 334 7.568 4.491 -3.896 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.213 4.387 -0.887 1.00 0.00 H new ATOM 0 HB3 MET A 334 5.888 3.959 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.466 2.298 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.592 2.623 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 334 5.781 1.819 1.207 1.00 0.00 H new ATOM 0 HE2 MET A 334 6.864 3.129 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 334 5.212 3.020 0.023 1.00 0.00 H new ATOM 401 N ALA A 335 5.518 5.978 -3.916 1.00 0.00 N ATOM 402 CA ALA A 335 4.509 7.010 -4.140 1.00 0.00 C ATOM 403 C ALA A 335 3.218 6.639 -3.422 1.00 0.00 C ATOM 404 O ALA A 335 2.644 5.586 -3.680 1.00 0.00 O ATOM 405 CB ALA A 335 4.257 7.190 -5.629 1.00 0.00 C ATOM 0 H ALA A 335 5.375 5.126 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 335 4.875 7.955 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.503 7.962 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.183 7.486 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.904 6.251 -6.055 1.00 0.00 H new ATOM 411 N ILE A 336 2.767 7.498 -2.513 1.00 0.00 N ATOM 412 CA ILE A 336 1.558 7.213 -1.747 1.00 0.00 C ATOM 413 C ILE A 336 0.351 7.925 -2.323 1.00 0.00 C ATOM 414 O ILE A 336 0.440 9.058 -2.796 1.00 0.00 O ATOM 415 CB ILE A 336 1.716 7.622 -0.269 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.543 8.904 -0.152 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.357 6.497 0.530 1.00 0.00 C ATOM 418 CD1 ILE A 336 2.216 9.726 1.077 1.00 0.00 C ATOM 0 H ILE A 336 3.214 8.387 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 336 1.403 6.136 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 336 0.725 7.814 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.601 8.643 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 336 2.380 9.514 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.461 6.803 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 336 1.729 5.608 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.341 6.273 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.840 10.619 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 336 1.166 10.018 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.406 9.134 1.972 1.00 0.00 H new ATOM 430 N LEU A 337 -0.775 7.222 -2.309 1.00 0.00 N ATOM 431 CA LEU A 337 -2.012 7.745 -2.860 1.00 0.00 C ATOM 432 C LEU A 337 -3.125 7.783 -1.814 1.00 0.00 C ATOM 433 O LEU A 337 -3.668 8.845 -1.510 1.00 0.00 O ATOM 434 CB LEU A 337 -2.426 6.877 -4.049 1.00 0.00 C ATOM 435 CG LEU A 337 -1.444 6.867 -5.230 1.00 0.00 C ATOM 436 CD1 LEU A 337 -0.939 8.273 -5.528 1.00 0.00 C ATOM 437 CD2 LEU A 337 -0.277 5.929 -4.948 1.00 0.00 C ATOM 0 H LEU A 337 -0.853 6.283 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.845 8.772 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.560 5.853 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.396 7.221 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 337 -1.975 6.503 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.245 8.240 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -1.782 8.917 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -0.428 8.670 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.408 5.935 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.250 6.262 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -0.653 4.918 -4.792 1.00 0.00 H new ATOM 449 N SER A 338 -3.465 6.617 -1.272 1.00 0.00 N ATOM 450 CA SER A 338 -4.516 6.515 -0.264 1.00 0.00 C ATOM 451 C SER A 338 -4.056 7.104 1.064 1.00 0.00 C ATOM 452 O SER A 338 -2.884 7.441 1.232 1.00 0.00 O ATOM 453 CB SER A 338 -4.932 5.054 -0.078 1.00 0.00 C ATOM 454 OG SER A 338 -5.653 4.873 1.129 1.00 0.00 O ATOM 0 H SER A 338 -3.027 5.728 -1.514 1.00 0.00 H new ATOM 0 HA SER A 338 -5.377 7.087 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 338 -5.546 4.738 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 338 -4.046 4.419 -0.073 1.00 0.00 H new ATOM 0 HG SER A 338 -5.631 3.927 1.384 1.00 0.00 H new ATOM 460 N LYS A 339 -4.987 7.225 2.005 1.00 0.00 N ATOM 461 CA LYS A 339 -4.689 7.773 3.321 1.00 0.00 C ATOM 462 C LYS A 339 -5.163 6.777 4.363 1.00 0.00 C ATOM 463 O LYS A 339 -4.761 5.614 4.319 1.00 0.00 O ATOM 464 CB LYS A 339 -5.407 9.105 3.468 1.00 0.00 C ATOM 465 CG LYS A 339 -4.564 10.305 3.061 1.00 0.00 C ATOM 466 CD LYS A 339 -4.237 10.288 1.573 1.00 0.00 C ATOM 467 CE LYS A 339 -5.386 10.838 0.744 1.00 0.00 C ATOM 468 NZ LYS A 339 -5.471 12.322 0.826 1.00 0.00 N ATOM 0 H LYS A 339 -5.960 6.948 1.878 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.620 7.942 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.313 9.087 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -5.719 9.227 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.097 11.224 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -3.638 10.311 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -3.339 10.879 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -4.017 9.268 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -5.258 10.539 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -6.323 10.401 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -6.139 12.672 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -5.801 12.599 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -4.532 12.734 0.653 1.00 0.00 H new ATOM 482 N LYS A 340 -6.077 7.184 5.249 1.00 0.00 N ATOM 483 CA LYS A 340 -6.626 6.229 6.193 1.00 0.00 C ATOM 484 C LYS A 340 -7.236 5.125 5.344 1.00 0.00 C ATOM 485 O LYS A 340 -7.409 3.988 5.783 1.00 0.00 O ATOM 486 CB LYS A 340 -7.686 6.872 7.091 1.00 0.00 C ATOM 487 CG LYS A 340 -7.381 6.779 8.582 1.00 0.00 C ATOM 488 CD LYS A 340 -6.990 5.366 8.994 1.00 0.00 C ATOM 489 CE LYS A 340 -8.055 4.726 9.868 1.00 0.00 C ATOM 490 NZ LYS A 340 -7.470 3.759 10.837 1.00 0.00 N ATOM 0 H LYS A 340 -6.437 8.135 5.326 1.00 0.00 H new ATOM 0 HA LYS A 340 -5.855 5.849 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -7.790 7.922 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -8.647 6.396 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -6.573 7.467 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -8.255 7.095 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -6.834 4.756 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -6.043 5.392 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -8.594 5.502 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -8.782 4.214 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -8.211 3.109 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -6.715 3.215 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -7.075 4.276 11.648 1.00 0.00 H new ATOM 504 N ASP A 341 -7.496 5.527 4.086 1.00 0.00 N ATOM 505 CA ASP A 341 -8.034 4.691 3.013 1.00 0.00 C ATOM 506 C ASP A 341 -9.516 4.982 2.728 1.00 0.00 C ATOM 507 O ASP A 341 -9.850 5.418 1.627 1.00 0.00 O ATOM 508 CB ASP A 341 -7.806 3.194 3.261 1.00 0.00 C ATOM 509 CG ASP A 341 -7.818 2.386 1.978 1.00 0.00 C ATOM 510 OD1 ASP A 341 -8.010 2.986 0.898 1.00 0.00 O ATOM 511 OD2 ASP A 341 -7.638 1.152 2.052 1.00 0.00 O ATOM 0 H ASP A 341 -7.327 6.486 3.783 1.00 0.00 H new ATOM 0 HA ASP A 341 -7.470 4.961 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -6.850 3.054 3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -8.579 2.818 3.931 1.00 0.00 H new ATOM 516 N PRO A 342 -10.438 4.745 3.691 1.00 0.00 N ATOM 517 CA PRO A 342 -11.858 4.989 3.481 1.00 0.00 C ATOM 518 C PRO A 342 -12.289 6.387 3.918 1.00 0.00 C ATOM 519 O PRO A 342 -12.491 7.271 3.086 1.00 0.00 O ATOM 520 CB PRO A 342 -12.513 3.922 4.358 1.00 0.00 C ATOM 521 CG PRO A 342 -11.526 3.626 5.448 1.00 0.00 C ATOM 522 CD PRO A 342 -10.195 4.220 5.041 1.00 0.00 C ATOM 0 HA PRO A 342 -12.135 4.937 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.456 4.280 4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -12.738 3.025 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -11.862 4.053 6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -11.434 2.550 5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -9.884 5.009 5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -9.406 3.468 5.041 1.00 0.00 H new ATOM 530 N LEU A 343 -12.432 6.577 5.226 1.00 0.00 N ATOM 531 CA LEU A 343 -12.845 7.864 5.774 1.00 0.00 C ATOM 532 C LEU A 343 -11.749 8.912 5.610 1.00 0.00 C ATOM 533 O LEU A 343 -11.979 9.983 5.049 1.00 0.00 O ATOM 534 CB LEU A 343 -13.197 7.718 7.255 1.00 0.00 C ATOM 535 CG LEU A 343 -14.592 7.157 7.536 1.00 0.00 C ATOM 536 CD1 LEU A 343 -14.585 5.639 7.442 1.00 0.00 C ATOM 537 CD2 LEU A 343 -15.080 7.607 8.905 1.00 0.00 C ATOM 0 H LEU A 343 -12.268 5.855 5.927 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.724 8.195 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -12.459 7.069 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -13.112 8.695 7.731 1.00 0.00 H new ATOM 0 HG LEU A 343 -15.278 7.543 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -15.586 5.257 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -14.278 5.338 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.886 5.232 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -16.074 7.199 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -14.393 7.249 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -15.123 8.696 8.936 1.00 0.00 H new ATOM 549 N GLY A 344 -10.563 8.598 6.119 1.00 0.00 N ATOM 550 CA GLY A 344 -9.450 9.524 6.036 1.00 0.00 C ATOM 551 C GLY A 344 -9.095 10.097 7.393 1.00 0.00 C ATOM 552 O GLY A 344 -8.703 11.259 7.504 1.00 0.00 O ATOM 0 H GLY A 344 -10.353 7.717 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -8.582 9.013 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -9.702 10.335 5.353 1.00 0.00 H new ATOM 556 N ARG A 345 -9.245 9.277 8.431 1.00 0.00 N ATOM 557 CA ARG A 345 -8.951 9.699 9.793 1.00 0.00 C ATOM 558 C ARG A 345 -7.455 9.633 10.086 1.00 0.00 C ATOM 559 O ARG A 345 -6.632 9.744 9.179 1.00 0.00 O ATOM 560 CB ARG A 345 -9.724 8.837 10.793 1.00 0.00 C ATOM 561 CG ARG A 345 -10.344 9.634 11.930 1.00 0.00 C ATOM 562 CD ARG A 345 -11.332 8.801 12.730 1.00 0.00 C ATOM 563 NE ARG A 345 -11.133 7.366 12.537 1.00 0.00 N ATOM 564 CZ ARG A 345 -10.296 6.633 13.266 1.00 0.00 C ATOM 565 NH1 ARG A 345 -9.579 7.197 14.228 1.00 0.00 N ATOM 566 NH2 ARG A 345 -10.172 5.333 13.028 1.00 0.00 N ATOM 0 H ARG A 345 -9.570 8.313 8.351 1.00 0.00 H new ATOM 0 HA ARG A 345 -9.267 10.737 9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -10.512 8.300 10.265 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -9.052 8.087 11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -9.557 9.998 12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -10.851 10.510 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -11.232 9.040 13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -12.348 9.067 12.438 1.00 0.00 H new ATOM 0 HE ARG A 345 -11.666 6.901 11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -9.668 8.196 14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -8.938 6.631 14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -10.719 4.896 12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -9.530 4.771 13.587 1.00 0.00 H new ATOM 580 N ASP A 346 -7.107 9.469 11.362 1.00 0.00 N ATOM 581 CA ASP A 346 -5.710 9.411 11.767 1.00 0.00 C ATOM 582 C ASP A 346 -5.260 7.989 12.095 1.00 0.00 C ATOM 583 O ASP A 346 -5.913 7.273 12.854 1.00 0.00 O ATOM 584 CB ASP A 346 -5.484 10.320 12.968 1.00 0.00 C ATOM 585 CG ASP A 346 -4.606 11.511 12.639 1.00 0.00 C ATOM 586 OD1 ASP A 346 -3.367 11.351 12.631 1.00 0.00 O ATOM 587 OD2 ASP A 346 -5.155 12.605 12.390 1.00 0.00 O ATOM 0 H ASP A 346 -7.774 9.375 12.128 1.00 0.00 H new ATOM 0 HA ASP A 346 -5.109 9.753 10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -6.446 10.674 13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -5.025 9.746 13.773 1.00 0.00 H new ATOM 592 N SER A 347 -4.123 7.613 11.512 1.00 0.00 N ATOM 593 CA SER A 347 -3.508 6.297 11.696 1.00 0.00 C ATOM 594 C SER A 347 -2.410 6.126 10.658 1.00 0.00 C ATOM 595 O SER A 347 -2.392 6.846 9.660 1.00 0.00 O ATOM 596 CB SER A 347 -4.530 5.171 11.545 1.00 0.00 C ATOM 597 OG SER A 347 -5.007 4.740 12.807 1.00 0.00 O ATOM 0 H SER A 347 -3.594 8.223 10.889 1.00 0.00 H new ATOM 0 HA SER A 347 -3.100 6.242 12.705 1.00 0.00 H new ATOM 0 HB2 SER A 347 -5.366 5.514 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.075 4.332 11.019 1.00 0.00 H new ATOM 0 HG SER A 347 -5.480 5.477 13.247 1.00 0.00 H new ATOM 603 N ASP A 348 -1.484 5.197 10.877 1.00 0.00 N ATOM 604 CA ASP A 348 -0.415 5.019 9.916 1.00 0.00 C ATOM 605 C ASP A 348 -0.622 3.778 9.047 1.00 0.00 C ATOM 606 O ASP A 348 -0.198 2.678 9.376 1.00 0.00 O ATOM 607 CB ASP A 348 0.903 4.948 10.685 1.00 0.00 C ATOM 608 CG ASP A 348 1.230 3.566 11.219 1.00 0.00 C ATOM 609 OD1 ASP A 348 0.454 3.053 12.052 1.00 0.00 O ATOM 610 OD2 ASP A 348 2.261 2.997 10.802 1.00 0.00 O ATOM 0 H ASP A 348 -1.455 4.577 11.686 1.00 0.00 H new ATOM 0 HA ASP A 348 -0.403 5.864 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 348 1.712 5.275 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 348 0.864 5.649 11.519 1.00 0.00 H new ATOM 615 N TRP A 349 -1.231 3.993 7.891 1.00 0.00 N ATOM 616 CA TRP A 349 -1.480 2.924 6.934 1.00 0.00 C ATOM 617 C TRP A 349 -1.903 3.517 5.605 1.00 0.00 C ATOM 618 O TRP A 349 -3.030 3.989 5.458 1.00 0.00 O ATOM 619 CB TRP A 349 -2.563 1.977 7.455 1.00 0.00 C ATOM 620 CG TRP A 349 -2.026 0.645 7.876 1.00 0.00 C ATOM 621 CD1 TRP A 349 -2.140 0.069 9.108 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.285 -0.274 7.068 1.00 0.00 C ATOM 623 NE1 TRP A 349 -1.514 -1.153 9.116 1.00 0.00 N ATOM 624 CE2 TRP A 349 -0.978 -1.386 7.876 1.00 0.00 C ATOM 625 CE3 TRP A 349 -0.846 -0.267 5.739 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -0.257 -2.476 7.398 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.133 -1.345 5.270 1.00 0.00 C ATOM 628 CH2 TRP A 349 0.159 -2.439 6.095 1.00 0.00 C ATOM 0 H TRP A 349 -1.565 4.908 7.590 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.561 2.354 6.798 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.068 2.443 8.302 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.313 1.830 6.678 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -2.648 0.510 9.953 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -1.457 -1.785 9.915 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.064 0.571 5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 -0.034 -3.321 8.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 0.209 -1.348 4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.723 -3.269 5.695 1.00 0.00 H new ATOM 639 N TRP A 350 -0.995 3.514 4.645 1.00 0.00 N ATOM 640 CA TRP A 350 -1.281 4.083 3.342 1.00 0.00 C ATOM 641 C TRP A 350 -1.031 3.093 2.215 1.00 0.00 C ATOM 642 O TRP A 350 -0.404 2.054 2.398 1.00 0.00 O ATOM 643 CB TRP A 350 -0.431 5.330 3.107 1.00 0.00 C ATOM 644 CG TRP A 350 -0.683 6.438 4.083 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.812 6.661 4.819 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.229 7.484 4.423 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.653 7.780 5.600 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.407 8.304 5.373 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.523 7.802 4.016 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.212 9.423 5.920 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.137 8.910 4.557 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.483 9.711 5.501 1.00 0.00 C ATOM 0 H TRP A 350 -0.057 3.125 4.743 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.339 4.344 3.338 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.622 5.052 3.154 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.619 5.699 2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.700 6.047 4.791 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.348 8.159 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 350 2.036 7.190 3.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.291 10.042 6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 3.140 9.165 4.248 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.991 10.573 5.907 1.00 0.00 H new ATOM 663 N LYS A 351 -1.514 3.462 1.041 1.00 0.00 N ATOM 664 CA LYS A 351 -1.352 2.671 -0.161 1.00 0.00 C ATOM 665 C LYS A 351 -0.238 3.300 -0.981 1.00 0.00 C ATOM 666 O LYS A 351 -0.059 4.519 -0.952 1.00 0.00 O ATOM 667 CB LYS A 351 -2.668 2.635 -0.942 1.00 0.00 C ATOM 668 CG LYS A 351 -2.709 3.558 -2.153 1.00 0.00 C ATOM 669 CD LYS A 351 -2.109 2.896 -3.386 1.00 0.00 C ATOM 670 CE LYS A 351 -2.766 3.395 -4.662 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.983 2.609 -5.004 1.00 0.00 N ATOM 0 H LYS A 351 -2.034 4.328 0.897 1.00 0.00 H new ATOM 0 HA LYS A 351 -1.090 1.641 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.851 1.613 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.483 2.903 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.741 3.843 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.163 4.475 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.039 3.098 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.227 1.815 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.033 4.445 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.053 3.336 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.401 2.981 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.725 1.611 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.674 2.686 -4.231 1.00 0.00 H new ATOM 685 N VAL A 352 0.547 2.480 -1.662 1.00 0.00 N ATOM 686 CA VAL A 352 1.670 3.015 -2.408 1.00 0.00 C ATOM 687 C VAL A 352 1.940 2.306 -3.732 1.00 0.00 C ATOM 688 O VAL A 352 1.473 1.193 -3.986 1.00 0.00 O ATOM 689 CB VAL A 352 2.941 2.922 -1.542 1.00 0.00 C ATOM 690 CG1 VAL A 352 3.766 1.708 -1.929 1.00 0.00 C ATOM 691 CG2 VAL A 352 3.761 4.190 -1.634 1.00 0.00 C ATOM 0 H VAL A 352 0.431 1.468 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 352 1.408 4.045 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 352 2.633 2.805 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 352 4.659 1.661 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 352 3.174 0.804 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 352 4.058 1.786 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 352 4.651 4.094 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.058 4.357 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.166 5.034 -1.287 1.00 0.00 H new ATOM 701 N ARG A 353 2.756 2.978 -4.540 1.00 0.00 N ATOM 702 CA ARG A 353 3.197 2.483 -5.830 1.00 0.00 C ATOM 703 C ARG A 353 4.705 2.709 -5.939 1.00 0.00 C ATOM 704 O ARG A 353 5.165 3.851 -5.986 1.00 0.00 O ATOM 705 CB ARG A 353 2.466 3.212 -6.957 1.00 0.00 C ATOM 706 CG ARG A 353 3.046 2.946 -8.335 1.00 0.00 C ATOM 707 CD ARG A 353 1.978 2.457 -9.300 1.00 0.00 C ATOM 708 NE ARG A 353 2.087 3.093 -10.610 1.00 0.00 N ATOM 709 CZ ARG A 353 1.319 2.779 -11.648 1.00 0.00 C ATOM 710 NH1 ARG A 353 0.388 1.841 -11.530 1.00 0.00 N ATOM 711 NH2 ARG A 353 1.479 3.403 -12.807 1.00 0.00 N ATOM 0 H ARG A 353 3.133 3.897 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 353 2.972 1.420 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 353 1.418 2.914 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.494 4.284 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 353 3.499 3.858 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 353 3.839 2.202 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 353 2.061 1.376 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 353 0.992 2.658 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 353 2.792 3.819 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 353 0.260 1.358 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -0.200 1.602 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 353 2.193 4.125 -12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 353 0.888 3.161 -13.603 1.00 0.00 H new ATOM 725 N THR A 354 5.473 1.626 -5.953 1.00 0.00 N ATOM 726 CA THR A 354 6.928 1.724 -6.024 1.00 0.00 C ATOM 727 C THR A 354 7.420 1.426 -7.431 1.00 0.00 C ATOM 728 O THR A 354 7.184 0.343 -7.961 1.00 0.00 O ATOM 729 CB THR A 354 7.611 0.757 -5.033 1.00 0.00 C ATOM 730 OG1 THR A 354 8.141 -0.378 -5.730 1.00 0.00 O ATOM 731 CG2 THR A 354 6.635 0.286 -3.961 1.00 0.00 C ATOM 0 H THR A 354 5.115 0.672 -5.916 1.00 0.00 H new ATOM 0 HA THR A 354 7.193 2.746 -5.754 1.00 0.00 H new ATOM 0 HB THR A 354 8.424 1.298 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 354 8.572 -0.982 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.145 -0.394 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.262 1.146 -3.405 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.800 -0.232 -4.432 1.00 0.00 H new ATOM 739 N LYS A 355 8.097 2.404 -8.033 1.00 0.00 N ATOM 740 CA LYS A 355 8.611 2.264 -9.389 1.00 0.00 C ATOM 741 C LYS A 355 7.517 1.772 -10.327 1.00 0.00 C ATOM 742 O LYS A 355 7.794 1.220 -11.393 1.00 0.00 O ATOM 743 CB LYS A 355 9.806 1.317 -9.400 1.00 0.00 C ATOM 744 CG LYS A 355 10.820 1.653 -8.324 1.00 0.00 C ATOM 745 CD LYS A 355 11.463 0.405 -7.745 1.00 0.00 C ATOM 746 CE LYS A 355 12.124 0.693 -6.408 1.00 0.00 C ATOM 747 NZ LYS A 355 11.163 0.574 -5.277 1.00 0.00 N ATOM 0 H LYS A 355 8.301 3.304 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 355 8.942 3.240 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.457 0.294 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.289 1.358 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.592 2.299 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.332 2.214 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.708 -0.371 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 355 12.205 0.018 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.952 0.000 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 355 12.547 1.697 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 11.641 0.144 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 10.814 1.519 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 10.362 -0.024 -5.564 1.00 0.00 H new ATOM 761 N ASN A 356 6.267 1.979 -9.911 1.00 0.00 N ATOM 762 CA ASN A 356 5.105 1.563 -10.694 1.00 0.00 C ATOM 763 C ASN A 356 5.081 0.048 -10.873 1.00 0.00 C ATOM 764 O ASN A 356 4.288 -0.485 -11.649 1.00 0.00 O ATOM 765 CB ASN A 356 5.089 2.257 -12.059 1.00 0.00 C ATOM 766 CG ASN A 356 5.783 3.606 -12.035 1.00 0.00 C ATOM 767 OD1 ASN A 356 5.174 4.572 -11.357 1.00 0.00 O flip ATOM 768 ND2 ASN A 356 6.851 3.779 -12.620 1.00 0.00 N flip ATOM 0 H ASN A 356 6.033 2.436 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 356 4.212 1.860 -10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 356 5.575 1.616 -12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 356 4.057 2.389 -12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 356 7.284 3.009 -13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 356 7.303 4.693 -12.596 1.00 0.00 H new ATOM 775 N GLY A 357 5.955 -0.635 -10.143 1.00 0.00 N ATOM 776 CA GLY A 357 6.028 -2.079 -10.219 1.00 0.00 C ATOM 777 C GLY A 357 5.367 -2.758 -9.034 1.00 0.00 C ATOM 778 O GLY A 357 4.761 -3.819 -9.184 1.00 0.00 O ATOM 0 H GLY A 357 6.618 -0.209 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 357 5.550 -2.416 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 357 7.073 -2.384 -10.272 1.00 0.00 H new ATOM 782 N ASN A 358 5.481 -2.153 -7.850 1.00 0.00 N ATOM 783 CA ASN A 358 4.884 -2.727 -6.649 1.00 0.00 C ATOM 784 C ASN A 358 3.743 -1.857 -6.134 1.00 0.00 C ATOM 785 O ASN A 358 3.957 -0.725 -5.703 1.00 0.00 O ATOM 786 CB ASN A 358 5.942 -2.898 -5.558 1.00 0.00 C ATOM 787 CG ASN A 358 6.964 -3.965 -5.903 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.728 -4.812 -6.764 1.00 0.00 O ATOM 789 ND2 ASN A 358 8.107 -3.929 -5.227 1.00 0.00 N ATOM 0 H ASN A 358 5.977 -1.274 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 358 4.480 -3.705 -6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.452 -1.948 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.453 -3.158 -4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 358 8.832 -4.622 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 358 8.260 -3.208 -4.522 1.00 0.00 H new ATOM 796 N ILE A 359 2.528 -2.394 -6.174 1.00 0.00 N ATOM 797 CA ILE A 359 1.357 -1.666 -5.705 1.00 0.00 C ATOM 798 C ILE A 359 0.693 -2.396 -4.542 1.00 0.00 C ATOM 799 O ILE A 359 0.275 -3.547 -4.676 1.00 0.00 O ATOM 800 CB ILE A 359 0.326 -1.463 -6.833 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.934 -0.636 -7.966 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.930 -0.788 -6.295 1.00 0.00 C ATOM 803 CD1 ILE A 359 0.207 -0.788 -9.284 1.00 0.00 C ATOM 0 H ILE A 359 2.330 -3.330 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 359 1.703 -0.689 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 359 0.048 -2.440 -7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 359 0.932 0.415 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 359 1.976 -0.928 -8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.646 -0.653 -7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -1.374 -1.411 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.670 0.184 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.694 -0.173 -10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 359 0.231 -1.833 -9.595 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -0.828 -0.468 -9.167 1.00 0.00 H new ATOM 815 N GLY A 360 0.603 -1.720 -3.402 1.00 0.00 N ATOM 816 CA GLY A 360 -0.008 -2.322 -2.231 1.00 0.00 C ATOM 817 C GLY A 360 -0.201 -1.329 -1.105 1.00 0.00 C ATOM 818 O GLY A 360 -0.575 -0.182 -1.346 1.00 0.00 O ATOM 0 H GLY A 360 0.942 -0.767 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.973 -2.747 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.615 -3.146 -1.882 1.00 0.00 H new ATOM 822 N TYR A 361 0.063 -1.759 0.130 1.00 0.00 N ATOM 823 CA TYR A 361 -0.084 -0.873 1.283 1.00 0.00 C ATOM 824 C TYR A 361 1.252 -0.696 1.992 1.00 0.00 C ATOM 825 O TYR A 361 2.250 -1.310 1.613 1.00 0.00 O ATOM 826 CB TYR A 361 -1.130 -1.413 2.266 1.00 0.00 C ATOM 827 CG TYR A 361 -2.557 -1.377 1.763 1.00 0.00 C ATOM 828 CD1 TYR A 361 -2.894 -0.800 0.545 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.569 -1.928 2.527 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.203 -0.775 0.106 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.882 -1.910 2.099 1.00 0.00 C ATOM 832 CZ TYR A 361 -5.194 -1.332 0.887 1.00 0.00 C ATOM 833 OH TYR A 361 -6.500 -1.310 0.453 1.00 0.00 O ATOM 0 H TYR A 361 0.376 -2.703 0.355 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.424 0.096 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -0.874 -2.443 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.071 -0.837 3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.120 -0.364 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -3.328 -2.381 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.449 -0.322 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -5.659 -2.346 2.710 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.977 -0.572 0.887 1.00 0.00 H new ATOM 843 N ILE A 362 1.267 0.151 3.016 1.00 0.00 N ATOM 844 CA ILE A 362 2.483 0.417 3.773 1.00 0.00 C ATOM 845 C ILE A 362 2.206 1.341 4.959 1.00 0.00 C ATOM 846 O ILE A 362 1.802 2.488 4.775 1.00 0.00 O ATOM 847 CB ILE A 362 3.568 1.061 2.880 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.688 1.669 3.732 1.00 0.00 C ATOM 849 CG2 ILE A 362 2.950 2.123 1.980 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.986 0.897 3.665 1.00 0.00 C ATOM 0 H ILE A 362 0.448 0.666 3.341 1.00 0.00 H new ATOM 0 HA ILE A 362 2.843 -0.544 4.141 1.00 0.00 H new ATOM 0 HB ILE A 362 4.002 0.281 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 362 4.867 2.693 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.358 1.719 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.726 2.568 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.192 1.665 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.489 2.897 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.732 1.385 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 362 5.823 -0.120 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.340 0.869 2.634 1.00 0.00 H new ATOM 862 N PRO A 363 2.444 0.860 6.195 1.00 0.00 N ATOM 863 CA PRO A 363 2.246 1.659 7.405 1.00 0.00 C ATOM 864 C PRO A 363 2.895 3.026 7.254 1.00 0.00 C ATOM 865 O PRO A 363 3.985 3.133 6.690 1.00 0.00 O ATOM 866 CB PRO A 363 2.946 0.844 8.507 1.00 0.00 C ATOM 867 CG PRO A 363 3.670 -0.263 7.805 1.00 0.00 C ATOM 868 CD PRO A 363 2.948 -0.479 6.509 1.00 0.00 C ATOM 0 HA PRO A 363 1.194 1.842 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.639 1.467 9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 363 2.222 0.447 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.712 0.003 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.670 -1.172 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.614 -0.854 5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 363 2.139 -1.202 6.612 1.00 0.00 H new ATOM 876 N TYR A 364 2.233 4.077 7.731 1.00 0.00 N ATOM 877 CA TYR A 364 2.803 5.423 7.590 1.00 0.00 C ATOM 878 C TYR A 364 4.104 5.555 8.383 1.00 0.00 C ATOM 879 O TYR A 364 4.983 6.340 8.025 1.00 0.00 O ATOM 880 CB TYR A 364 1.793 6.507 8.001 1.00 0.00 C ATOM 881 CG TYR A 364 2.397 7.691 8.733 1.00 0.00 C ATOM 882 CD1 TYR A 364 3.167 8.628 8.061 1.00 0.00 C ATOM 883 CD2 TYR A 364 2.194 7.870 10.097 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.719 9.708 8.724 1.00 0.00 C ATOM 885 CE2 TYR A 364 2.741 8.947 10.767 1.00 0.00 C ATOM 886 CZ TYR A 364 3.504 9.862 10.076 1.00 0.00 C ATOM 887 OH TYR A 364 4.051 10.936 10.739 1.00 0.00 O ATOM 0 H TYR A 364 1.331 4.033 8.204 1.00 0.00 H new ATOM 0 HA TYR A 364 3.035 5.573 6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.286 6.870 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 364 1.032 6.054 8.637 1.00 0.00 H new ATOM 0 HD1 TYR A 364 3.338 8.512 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 364 1.598 7.154 10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 364 4.316 10.428 8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 364 2.571 9.071 11.826 1.00 0.00 H new ATOM 0 HH TYR A 364 3.803 10.897 11.686 1.00 0.00 H new ATOM 897 N ASN A 365 4.226 4.781 9.455 1.00 0.00 N ATOM 898 CA ASN A 365 5.424 4.818 10.291 1.00 0.00 C ATOM 899 C ASN A 365 6.595 4.090 9.631 1.00 0.00 C ATOM 900 O ASN A 365 7.588 3.780 10.288 1.00 0.00 O ATOM 901 CB ASN A 365 5.131 4.200 11.659 1.00 0.00 C ATOM 902 CG ASN A 365 4.915 5.247 12.733 1.00 0.00 C ATOM 903 OD1 ASN A 365 3.802 5.735 12.927 1.00 0.00 O ATOM 904 ND2 ASN A 365 5.984 5.598 13.440 1.00 0.00 N ATOM 0 H ASN A 365 3.513 4.121 9.767 1.00 0.00 H new ATOM 0 HA ASN A 365 5.707 5.863 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.245 3.569 11.587 1.00 0.00 H new ATOM 0 HB3 ASN A 365 5.960 3.554 11.947 1.00 0.00 H new ATOM 0 HD21 ASN A 365 5.901 6.298 14.177 1.00 0.00 H new ATOM 0 HD22 ASN A 365 6.888 5.168 13.245 1.00 0.00 H new ATOM 911 N TYR A 366 6.476 3.818 8.332 1.00 0.00 N ATOM 912 CA TYR A 366 7.534 3.124 7.600 1.00 0.00 C ATOM 913 C TYR A 366 7.907 3.868 6.319 1.00 0.00 C ATOM 914 O TYR A 366 8.697 3.373 5.512 1.00 0.00 O ATOM 915 CB TYR A 366 7.091 1.700 7.259 1.00 0.00 C ATOM 916 CG TYR A 366 7.452 0.681 8.318 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.764 0.632 9.523 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.479 -0.230 8.111 1.00 0.00 C ATOM 919 CE1 TYR A 366 7.090 -0.296 10.493 1.00 0.00 C ATOM 920 CE2 TYR A 366 8.811 -1.162 9.076 1.00 0.00 C ATOM 921 CZ TYR A 366 8.114 -1.190 10.264 1.00 0.00 C ATOM 922 OH TYR A 366 8.443 -2.116 11.229 1.00 0.00 O ATOM 0 H TYR A 366 5.663 4.066 7.768 1.00 0.00 H new ATOM 0 HA TYR A 366 8.414 3.089 8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 366 6.011 1.690 7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 366 7.545 1.404 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 366 5.961 1.331 9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 366 9.027 -0.210 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 366 6.546 -0.321 11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 366 9.612 -1.864 8.900 1.00 0.00 H new ATOM 0 HH TYR A 366 9.185 -2.671 10.910 1.00 0.00 H new ATOM 932 N ILE A 367 7.339 5.054 6.132 1.00 0.00 N ATOM 933 CA ILE A 367 7.618 5.849 4.942 1.00 0.00 C ATOM 934 C ILE A 367 7.755 7.331 5.265 1.00 0.00 C ATOM 935 O ILE A 367 7.245 7.813 6.276 1.00 0.00 O ATOM 936 CB ILE A 367 6.532 5.670 3.870 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.151 5.543 4.516 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.841 4.456 3.009 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.017 5.499 3.513 1.00 0.00 C ATOM 0 H ILE A 367 6.685 5.485 6.786 1.00 0.00 H new ATOM 0 HA ILE A 367 8.568 5.483 4.553 1.00 0.00 H new ATOM 0 HB ILE A 367 6.523 6.553 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 367 5.124 4.638 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 367 4.996 6.384 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.065 4.339 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.806 4.592 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.874 3.565 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.068 5.408 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.018 6.415 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.148 4.642 2.853 1.00 0.00 H new ATOM 951 N GLU A 368 8.460 8.042 4.392 1.00 0.00 N ATOM 952 CA GLU A 368 8.694 9.470 4.555 1.00 0.00 C ATOM 953 C GLU A 368 7.767 10.279 3.653 1.00 0.00 C ATOM 954 O GLU A 368 7.489 9.882 2.524 1.00 0.00 O ATOM 955 CB GLU A 368 10.148 9.794 4.210 1.00 0.00 C ATOM 956 CG GLU A 368 10.782 10.856 5.095 1.00 0.00 C ATOM 957 CD GLU A 368 9.842 11.998 5.424 1.00 0.00 C ATOM 958 OE1 GLU A 368 9.815 12.983 4.656 1.00 0.00 O ATOM 959 OE2 GLU A 368 9.133 11.910 6.449 1.00 0.00 O ATOM 0 H GLU A 368 8.884 7.645 3.554 1.00 0.00 H new ATOM 0 HA GLU A 368 8.490 9.736 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.738 8.880 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.197 10.126 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 368 11.119 10.393 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.666 11.254 4.597 1.00 0.00 H new ATOM 966 N ILE A 369 7.303 11.420 4.148 1.00 0.00 N ATOM 967 CA ILE A 369 6.425 12.285 3.371 1.00 0.00 C ATOM 968 C ILE A 369 7.216 13.457 2.802 1.00 0.00 C ATOM 969 O ILE A 369 7.790 14.246 3.552 1.00 0.00 O ATOM 970 CB ILE A 369 5.256 12.825 4.220 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.375 11.674 4.707 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.431 13.822 3.419 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.931 10.957 5.916 1.00 0.00 C ATOM 0 H ILE A 369 7.520 11.767 5.082 1.00 0.00 H new ATOM 0 HA ILE A 369 6.010 11.686 2.561 1.00 0.00 H new ATOM 0 HB ILE A 369 5.669 13.338 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.385 12.062 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.247 10.957 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.611 14.193 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.063 14.657 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.028 13.332 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.254 10.153 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 369 5.908 10.539 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 369 5.032 11.661 6.742 1.00 0.00 H new ATOM 985 N ILE A 370 7.260 13.558 1.474 1.00 0.00 N ATOM 986 CA ILE A 370 8.004 14.633 0.823 1.00 0.00 C ATOM 987 C ILE A 370 7.654 15.993 1.421 1.00 0.00 C ATOM 988 O ILE A 370 8.552 16.626 2.014 1.00 0.00 O ATOM 989 CB ILE A 370 7.748 14.673 -0.692 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.231 13.393 -1.386 1.00 0.00 C ATOM 991 CG2 ILE A 370 8.440 15.885 -1.302 1.00 0.00 C ATOM 992 CD1 ILE A 370 8.994 12.408 -0.526 1.00 0.00 C ATOM 993 OXT ILE A 370 6.485 16.413 1.289 1.00 0.00 O ATOM 0 H ILE A 370 6.794 12.915 0.834 1.00 0.00 H new ATOM 0 HA ILE A 370 9.059 14.422 0.996 1.00 0.00 H new ATOM 0 HB ILE A 370 6.671 14.747 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 370 7.363 12.882 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 370 8.866 13.678 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 370 8.255 15.908 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 370 8.048 16.795 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 370 9.513 15.821 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.281 11.546 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 370 9.889 12.888 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 370 8.362 12.080 0.299 1.00 0.00 H new TER 1005 ILE A 370