USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 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 Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -0.823 K(o=-0.82,f=-1.6) USER MOD Single : A 324 MET CE :methyl 159:sc= 0 (180deg=-0.732) USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ -176:sc= -1.47 (180deg=-1.49) USER MOD Single : A 334 MET CE :methyl -133:sc= -4.99! (180deg=-6.96!) USER MOD Single : A 338 SER OG : rot -60:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ -163:sc= -0.183 (180deg=-0.583) USER MOD Single : A 340 LYS NZ :NH3+ -169:sc= -1.24 (180deg=-1.45) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00622) USER MOD Single : A 354 THR OG1 : rot -169:sc= -3.73! USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 358 ASN :FLIP amide:sc= 0.205 F(o=-3.1!,f=0.21) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -3.72! C(o=-3.7!,f=-13!) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 7.035 12.560 -3.691 1.00 0.00 N ATOM 2 CA PHE A 310 5.982 11.665 -3.272 1.00 0.00 C ATOM 3 C PHE A 310 6.251 11.113 -1.871 1.00 0.00 C ATOM 4 O PHE A 310 5.817 11.690 -0.872 1.00 0.00 O ATOM 5 CB PHE A 310 5.819 10.513 -4.269 1.00 0.00 C ATOM 6 CG PHE A 310 4.948 10.816 -5.410 1.00 0.00 C ATOM 7 CD1 PHE A 310 3.589 10.868 -5.248 1.00 0.00 C ATOM 8 CD2 PHE A 310 5.492 11.016 -6.652 1.00 0.00 C ATOM 9 CE1 PHE A 310 2.775 11.120 -6.313 1.00 0.00 C ATOM 10 CE2 PHE A 310 4.692 11.273 -7.725 1.00 0.00 C ATOM 11 CZ PHE A 310 3.321 11.326 -7.567 1.00 0.00 C ATOM 0 HA PHE A 310 5.055 12.237 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.803 10.231 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 310 5.419 9.647 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 310 3.159 10.708 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 310 6.563 10.970 -6.781 1.00 0.00 H new ATOM 0 HE1 PHE A 310 1.704 11.159 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 310 5.130 11.435 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 310 2.682 11.526 -8.414 1.00 0.00 H new ATOM 21 N ALA A 311 6.960 9.989 -1.799 1.00 0.00 N ATOM 22 CA ALA A 311 7.266 9.372 -0.513 1.00 0.00 C ATOM 23 C ALA A 311 8.612 8.661 -0.525 1.00 0.00 C ATOM 24 O ALA A 311 9.179 8.373 -1.580 1.00 0.00 O ATOM 25 CB ALA A 311 6.171 8.380 -0.135 1.00 0.00 C ATOM 0 H ALA A 311 7.330 9.491 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 311 7.316 10.172 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.409 7.925 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 311 5.216 8.901 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 311 6.104 7.604 -0.897 1.00 0.00 H new ATOM 31 N ARG A 312 9.102 8.364 0.668 1.00 0.00 N ATOM 32 CA ARG A 312 10.363 7.665 0.838 1.00 0.00 C ATOM 33 C ARG A 312 10.188 6.533 1.832 1.00 0.00 C ATOM 34 O ARG A 312 9.210 6.496 2.572 1.00 0.00 O ATOM 35 CB ARG A 312 11.452 8.613 1.329 1.00 0.00 C ATOM 36 CG ARG A 312 12.822 7.964 1.335 1.00 0.00 C ATOM 37 CD ARG A 312 13.862 8.830 2.028 1.00 0.00 C ATOM 38 NE ARG A 312 14.858 9.345 1.091 1.00 0.00 N ATOM 39 CZ ARG A 312 16.057 9.790 1.458 1.00 0.00 C ATOM 40 NH1 ARG A 312 16.416 9.775 2.735 1.00 0.00 N ATOM 41 NH2 ARG A 312 16.901 10.249 0.543 1.00 0.00 N ATOM 0 H ARG A 312 8.636 8.601 1.544 1.00 0.00 H new ATOM 0 HA ARG A 312 10.666 7.264 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 312 11.474 9.497 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.209 8.951 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.763 6.998 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 312 13.136 7.772 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.366 9.664 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.360 8.248 2.803 1.00 0.00 H new ATOM 0 HE ARG A 312 14.621 9.364 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 312 15.771 9.421 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 312 17.337 10.117 3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 312 16.630 10.260 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 312 17.820 10.590 0.823 1.00 0.00 H new ATOM 55 N ALA A 313 11.133 5.611 1.843 1.00 0.00 N ATOM 56 CA ALA A 313 11.057 4.471 2.764 1.00 0.00 C ATOM 57 C ALA A 313 11.966 4.655 3.973 1.00 0.00 C ATOM 58 O ALA A 313 13.191 4.696 3.850 1.00 0.00 O ATOM 59 CB ALA A 313 11.406 3.165 2.060 1.00 0.00 C ATOM 0 H ALA A 313 11.954 5.619 1.238 1.00 0.00 H new ATOM 0 HA ALA A 313 10.025 4.423 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.340 2.340 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.707 2.995 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.420 3.224 1.665 1.00 0.00 H new ATOM 65 N LEU A 314 11.344 4.744 5.150 1.00 0.00 N ATOM 66 CA LEU A 314 12.071 4.898 6.402 1.00 0.00 C ATOM 67 C LEU A 314 12.958 3.686 6.624 1.00 0.00 C ATOM 68 O LEU A 314 14.179 3.797 6.732 1.00 0.00 O ATOM 69 CB LEU A 314 11.094 5.025 7.577 1.00 0.00 C ATOM 70 CG LEU A 314 10.904 6.436 8.134 1.00 0.00 C ATOM 71 CD1 LEU A 314 12.245 7.074 8.472 1.00 0.00 C ATOM 72 CD2 LEU A 314 10.136 7.292 7.144 1.00 0.00 C ATOM 0 H LEU A 314 10.330 4.711 5.258 1.00 0.00 H new ATOM 0 HA LEU A 314 12.678 5.801 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.122 4.646 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.440 4.379 8.384 1.00 0.00 H new ATOM 0 HG LEU A 314 10.326 6.366 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 314 12.082 8.077 8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 314 12.757 6.469 9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 314 12.857 7.133 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 314 10.007 8.294 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 314 10.690 7.350 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 314 9.158 6.847 6.960 1.00 0.00 H new ATOM 84 N TYR A 315 12.318 2.525 6.681 1.00 0.00 N ATOM 85 CA TYR A 315 13.017 1.269 6.877 1.00 0.00 C ATOM 86 C TYR A 315 12.559 0.244 5.847 1.00 0.00 C ATOM 87 O TYR A 315 11.475 0.366 5.276 1.00 0.00 O ATOM 88 CB TYR A 315 12.780 0.740 8.293 1.00 0.00 C ATOM 89 CG TYR A 315 12.768 1.825 9.347 1.00 0.00 C ATOM 90 CD1 TYR A 315 13.953 2.380 9.815 1.00 0.00 C ATOM 91 CD2 TYR A 315 11.571 2.298 9.871 1.00 0.00 C ATOM 92 CE1 TYR A 315 13.945 3.375 10.775 1.00 0.00 C ATOM 93 CE2 TYR A 315 11.556 3.294 10.829 1.00 0.00 C ATOM 94 CZ TYR A 315 12.745 3.829 11.278 1.00 0.00 C ATOM 95 OH TYR A 315 12.733 4.820 12.233 1.00 0.00 O ATOM 0 H TYR A 315 11.306 2.431 6.593 1.00 0.00 H new ATOM 0 HA TYR A 315 14.085 1.443 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.829 0.208 8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 315 13.557 0.016 8.537 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.896 2.028 9.422 1.00 0.00 H new ATOM 0 HD2 TYR A 315 10.637 1.881 9.524 1.00 0.00 H new ATOM 0 HE1 TYR A 315 14.875 3.795 11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 315 10.617 3.652 11.224 1.00 0.00 H new ATOM 0 HH TYR A 315 11.807 5.025 12.480 1.00 0.00 H new ATOM 105 N ASP A 316 13.394 -0.760 5.607 1.00 0.00 N ATOM 106 CA ASP A 316 13.082 -1.805 4.639 1.00 0.00 C ATOM 107 C ASP A 316 11.718 -2.430 4.919 1.00 0.00 C ATOM 108 O ASP A 316 11.571 -3.211 5.860 1.00 0.00 O ATOM 109 CB ASP A 316 14.168 -2.886 4.678 1.00 0.00 C ATOM 110 CG ASP A 316 13.926 -4.000 3.679 1.00 0.00 C ATOM 111 OD1 ASP A 316 12.986 -4.796 3.890 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.680 -4.080 2.686 1.00 0.00 O ATOM 0 H ASP A 316 14.295 -0.873 6.071 1.00 0.00 H new ATOM 0 HA ASP A 316 13.049 -1.353 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 316 15.137 -2.428 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.217 -3.309 5.681 1.00 0.00 H new ATOM 117 N PHE A 317 10.720 -2.099 4.095 1.00 0.00 N ATOM 118 CA PHE A 317 9.394 -2.651 4.272 1.00 0.00 C ATOM 119 C PHE A 317 9.271 -3.966 3.503 1.00 0.00 C ATOM 120 O PHE A 317 10.061 -4.229 2.597 1.00 0.00 O ATOM 121 CB PHE A 317 8.314 -1.652 3.840 1.00 0.00 C ATOM 122 CG PHE A 317 6.912 -2.107 4.136 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.372 -1.988 5.411 1.00 0.00 C ATOM 124 CD2 PHE A 317 6.133 -2.656 3.133 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.085 -2.411 5.671 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.845 -3.083 3.390 1.00 0.00 C ATOM 127 CZ PHE A 317 4.321 -2.960 4.661 1.00 0.00 C ATOM 0 H PHE A 317 10.813 -1.456 3.308 1.00 0.00 H new ATOM 0 HA PHE A 317 9.240 -2.853 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.491 -0.701 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.408 -1.470 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.965 -1.560 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.537 -2.752 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.675 -2.313 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.249 -3.512 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.314 -3.293 4.865 1.00 0.00 H new ATOM 137 N VAL A 318 8.297 -4.797 3.869 1.00 0.00 N ATOM 138 CA VAL A 318 8.108 -6.085 3.209 1.00 0.00 C ATOM 139 C VAL A 318 6.648 -6.520 3.265 1.00 0.00 C ATOM 140 O VAL A 318 6.004 -6.414 4.308 1.00 0.00 O ATOM 141 CB VAL A 318 8.982 -7.183 3.862 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.571 -8.568 3.381 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.458 -6.938 3.580 1.00 0.00 C ATOM 0 H VAL A 318 7.630 -4.602 4.616 1.00 0.00 H new ATOM 0 HA VAL A 318 8.409 -5.957 2.169 1.00 0.00 H new ATOM 0 HB VAL A 318 8.825 -7.137 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 318 9.201 -9.320 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.529 -8.750 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.688 -8.627 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 318 11.053 -7.722 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.629 -6.947 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.750 -5.969 3.986 1.00 0.00 H new ATOM 153 N PRO A 319 6.109 -7.019 2.135 1.00 0.00 N ATOM 154 CA PRO A 319 4.728 -7.480 2.042 1.00 0.00 C ATOM 155 C PRO A 319 4.262 -8.216 3.293 1.00 0.00 C ATOM 156 O PRO A 319 4.572 -9.393 3.481 1.00 0.00 O ATOM 157 CB PRO A 319 4.737 -8.436 0.841 1.00 0.00 C ATOM 158 CG PRO A 319 6.116 -8.378 0.262 1.00 0.00 C ATOM 159 CD PRO A 319 6.797 -7.176 0.853 1.00 0.00 C ATOM 0 HA PRO A 319 4.041 -6.641 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.489 -9.451 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.993 -8.138 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.670 -9.287 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 319 6.074 -8.301 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.867 -7.340 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 319 6.684 -6.295 0.222 1.00 0.00 H new ATOM 167 N GLU A 320 3.509 -7.517 4.139 1.00 0.00 N ATOM 168 CA GLU A 320 2.992 -8.114 5.365 1.00 0.00 C ATOM 169 C GLU A 320 2.224 -9.386 5.038 1.00 0.00 C ATOM 170 O GLU A 320 2.342 -10.392 5.738 1.00 0.00 O ATOM 171 CB GLU A 320 2.089 -7.128 6.107 1.00 0.00 C ATOM 172 CG GLU A 320 1.980 -7.406 7.596 1.00 0.00 C ATOM 173 CD GLU A 320 0.561 -7.712 8.031 1.00 0.00 C ATOM 174 OE1 GLU A 320 -0.353 -6.949 7.652 1.00 0.00 O ATOM 175 OE2 GLU A 320 0.362 -8.713 8.750 1.00 0.00 O ATOM 0 H GLU A 320 3.245 -6.542 3.998 1.00 0.00 H new ATOM 0 HA GLU A 320 3.833 -8.362 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 320 2.471 -6.118 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 320 1.093 -7.158 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 320 2.624 -8.247 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 320 2.348 -6.543 8.151 1.00 0.00 H new ATOM 182 N ASN A 321 1.452 -9.340 3.954 1.00 0.00 N ATOM 183 CA ASN A 321 0.686 -10.494 3.522 1.00 0.00 C ATOM 184 C ASN A 321 1.032 -10.833 2.078 1.00 0.00 C ATOM 185 O ASN A 321 1.173 -9.936 1.246 1.00 0.00 O ATOM 186 CB ASN A 321 -0.814 -10.224 3.656 1.00 0.00 C ATOM 187 CG ASN A 321 -1.595 -11.474 4.010 1.00 0.00 C ATOM 188 OD1 ASN A 321 -2.269 -12.060 3.163 1.00 0.00 O ATOM 189 ND2 ASN A 321 -1.508 -11.889 5.268 1.00 0.00 N ATOM 0 H ASN A 321 1.344 -8.515 3.364 1.00 0.00 H new ATOM 0 HA ASN A 321 0.941 -11.341 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -0.977 -9.467 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.192 -9.815 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -2.012 -12.725 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -0.937 -11.372 5.937 1.00 0.00 H new ATOM 196 N PRO A 322 1.177 -12.128 1.753 1.00 0.00 N ATOM 197 CA PRO A 322 1.506 -12.560 0.395 1.00 0.00 C ATOM 198 C PRO A 322 0.298 -12.473 -0.525 1.00 0.00 C ATOM 199 O PRO A 322 0.039 -13.376 -1.322 1.00 0.00 O ATOM 200 CB PRO A 322 1.938 -14.012 0.585 1.00 0.00 C ATOM 201 CG PRO A 322 1.177 -14.474 1.781 1.00 0.00 C ATOM 202 CD PRO A 322 1.032 -13.272 2.677 1.00 0.00 C ATOM 0 HA PRO A 322 2.271 -11.938 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 322 1.702 -14.614 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 322 3.013 -14.089 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 322 0.201 -14.866 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 322 1.706 -15.279 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 322 0.065 -13.261 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 322 1.795 -13.258 3.455 1.00 0.00 H new ATOM 210 N GLU A 323 -0.444 -11.378 -0.402 1.00 0.00 N ATOM 211 CA GLU A 323 -1.633 -11.162 -1.210 1.00 0.00 C ATOM 212 C GLU A 323 -1.631 -9.765 -1.817 1.00 0.00 C ATOM 213 O GLU A 323 -1.939 -9.594 -2.997 1.00 0.00 O ATOM 214 CB GLU A 323 -2.889 -11.369 -0.360 1.00 0.00 C ATOM 215 CG GLU A 323 -4.161 -10.846 -1.007 1.00 0.00 C ATOM 216 CD GLU A 323 -5.411 -11.294 -0.277 1.00 0.00 C ATOM 217 OE1 GLU A 323 -5.643 -12.518 -0.193 1.00 0.00 O ATOM 218 OE2 GLU A 323 -6.157 -10.420 0.213 1.00 0.00 O ATOM 0 H GLU A 323 -0.239 -10.624 0.254 1.00 0.00 H new ATOM 0 HA GLU A 323 -1.631 -11.886 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.007 -12.433 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.751 -10.874 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -4.130 -9.757 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -4.206 -11.188 -2.041 1.00 0.00 H new ATOM 225 N MET A 324 -1.286 -8.761 -1.009 1.00 0.00 N ATOM 226 CA MET A 324 -1.259 -7.388 -1.497 1.00 0.00 C ATOM 227 C MET A 324 -0.402 -6.474 -0.629 1.00 0.00 C ATOM 228 O MET A 324 -0.855 -5.986 0.408 1.00 0.00 O ATOM 229 CB MET A 324 -2.679 -6.840 -1.514 1.00 0.00 C ATOM 230 CG MET A 324 -2.853 -5.618 -2.400 1.00 0.00 C ATOM 231 SD MET A 324 -2.656 -5.999 -4.151 1.00 0.00 S ATOM 232 CE MET A 324 -3.298 -4.505 -4.900 1.00 0.00 C ATOM 0 H MET A 324 -1.026 -8.873 -0.029 1.00 0.00 H new ATOM 0 HA MET A 324 -0.824 -7.408 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.357 -7.623 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 324 -2.972 -6.584 -0.496 1.00 0.00 H new ATOM 0 HG2 MET A 324 -3.842 -5.191 -2.234 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.125 -4.859 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 324 -2.918 -4.416 -5.918 1.00 0.00 H new ATOM 0 HE2 MET A 324 -4.387 -4.548 -4.922 1.00 0.00 H new ATOM 0 HE3 MET A 324 -2.981 -3.640 -4.317 1.00 0.00 H new ATOM 242 N GLU A 325 0.820 -6.209 -1.079 1.00 0.00 N ATOM 243 CA GLU A 325 1.719 -5.311 -0.365 1.00 0.00 C ATOM 244 C GLU A 325 2.964 -5.002 -1.184 1.00 0.00 C ATOM 245 O GLU A 325 3.216 -5.630 -2.212 1.00 0.00 O ATOM 246 CB GLU A 325 2.087 -5.846 1.009 1.00 0.00 C ATOM 247 CG GLU A 325 2.109 -4.763 2.070 1.00 0.00 C ATOM 248 CD GLU A 325 1.572 -5.243 3.404 1.00 0.00 C ATOM 249 OE1 GLU A 325 0.941 -6.320 3.438 1.00 0.00 O ATOM 250 OE2 GLU A 325 1.778 -4.539 4.415 1.00 0.00 O ATOM 0 H GLU A 325 1.210 -6.604 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 325 1.178 -4.377 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.373 -6.618 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 325 3.067 -6.321 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 325 3.131 -4.408 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 325 1.518 -3.913 1.729 1.00 0.00 H new ATOM 257 N VAL A 326 3.731 -4.022 -0.725 1.00 0.00 N ATOM 258 CA VAL A 326 4.948 -3.615 -1.418 1.00 0.00 C ATOM 259 C VAL A 326 6.205 -4.013 -0.641 1.00 0.00 C ATOM 260 O VAL A 326 6.200 -4.065 0.587 1.00 0.00 O ATOM 261 CB VAL A 326 4.954 -2.090 -1.688 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.803 -1.399 -0.972 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.282 -1.480 -1.288 1.00 0.00 C ATOM 0 H VAL A 326 3.533 -3.493 0.125 1.00 0.00 H new ATOM 0 HA VAL A 326 4.959 -4.141 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 326 4.817 -1.939 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.834 -0.330 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 326 2.857 -1.810 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 326 3.893 -1.562 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 326 6.265 -0.408 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.455 -1.650 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 326 7.083 -1.942 -1.864 1.00 0.00 H new ATOM 273 N ALA A 327 7.283 -4.272 -1.379 1.00 0.00 N ATOM 274 CA ALA A 327 8.563 -4.641 -0.781 1.00 0.00 C ATOM 275 C ALA A 327 9.527 -3.459 -0.854 1.00 0.00 C ATOM 276 O ALA A 327 10.008 -3.106 -1.930 1.00 0.00 O ATOM 277 CB ALA A 327 9.149 -5.853 -1.487 1.00 0.00 C ATOM 0 H ALA A 327 7.294 -4.232 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 327 8.404 -4.901 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.103 -6.115 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.461 -6.694 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.304 -5.621 -2.541 1.00 0.00 H new ATOM 283 N LEU A 328 9.782 -2.831 0.291 1.00 0.00 N ATOM 284 CA LEU A 328 10.662 -1.664 0.347 1.00 0.00 C ATOM 285 C LEU A 328 12.028 -1.988 0.933 1.00 0.00 C ATOM 286 O LEU A 328 12.131 -2.665 1.955 1.00 0.00 O ATOM 287 CB LEU A 328 10.019 -0.572 1.194 1.00 0.00 C ATOM 288 CG LEU A 328 8.928 0.248 0.501 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.467 1.386 1.398 1.00 0.00 C ATOM 290 CD2 LEU A 328 9.420 0.786 -0.837 1.00 0.00 C ATOM 0 H LEU A 328 9.393 -3.109 1.192 1.00 0.00 H new ATOM 0 HA LEU A 328 10.805 -1.329 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.591 -1.033 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.801 0.109 1.531 1.00 0.00 H new ATOM 0 HG LEU A 328 8.079 -0.408 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.691 1.959 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.067 0.978 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.311 2.038 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.627 1.365 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 328 10.289 1.424 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.697 -0.046 -1.484 1.00 0.00 H new ATOM 302 N LYS A 329 13.068 -1.457 0.296 1.00 0.00 N ATOM 303 CA LYS A 329 14.439 -1.643 0.757 1.00 0.00 C ATOM 304 C LYS A 329 14.964 -0.338 1.348 1.00 0.00 C ATOM 305 O LYS A 329 15.194 0.623 0.617 1.00 0.00 O ATOM 306 CB LYS A 329 15.337 -2.094 -0.396 1.00 0.00 C ATOM 307 CG LYS A 329 14.711 -3.167 -1.270 1.00 0.00 C ATOM 308 CD LYS A 329 15.097 -4.559 -0.801 1.00 0.00 C ATOM 309 CE LYS A 329 15.316 -5.499 -1.973 1.00 0.00 C ATOM 310 NZ LYS A 329 15.460 -6.913 -1.531 1.00 0.00 N ATOM 0 H LYS A 329 12.985 -0.890 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 329 14.449 -2.417 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 329 15.581 -1.230 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 329 16.275 -2.470 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 329 13.626 -3.064 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 329 15.029 -3.028 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.006 -4.504 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 329 14.314 -4.957 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 329 14.477 -5.418 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 329 16.210 -5.196 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 15.608 -7.523 -2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 16.276 -6.995 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 14.597 -7.210 -1.032 1.00 0.00 H new ATOM 324 N LYS A 330 15.125 -0.320 2.676 1.00 0.00 N ATOM 325 CA LYS A 330 15.600 0.857 3.419 1.00 0.00 C ATOM 326 C LYS A 330 16.196 1.934 2.519 1.00 0.00 C ATOM 327 O LYS A 330 17.155 1.694 1.785 1.00 0.00 O ATOM 328 CB LYS A 330 16.618 0.442 4.471 1.00 0.00 C ATOM 329 CG LYS A 330 16.191 0.795 5.872 1.00 0.00 C ATOM 330 CD LYS A 330 17.383 0.969 6.799 1.00 0.00 C ATOM 331 CE LYS A 330 16.952 1.035 8.255 1.00 0.00 C ATOM 332 NZ LYS A 330 16.176 -0.168 8.661 1.00 0.00 N ATOM 0 H LYS A 330 14.929 -1.125 3.271 1.00 0.00 H new ATOM 0 HA LYS A 330 14.724 1.293 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.781 -0.634 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.572 0.923 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 330 15.608 1.716 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.539 0.013 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 330 18.076 0.139 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.920 1.880 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 330 17.833 1.130 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 330 16.347 1.928 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 15.844 -0.053 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 15.358 -0.283 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 16.783 -1.010 8.599 1.00 0.00 H new ATOM 346 N GLY A 331 15.607 3.125 2.585 1.00 0.00 N ATOM 347 CA GLY A 331 16.068 4.231 1.773 1.00 0.00 C ATOM 348 C GLY A 331 15.328 4.300 0.456 1.00 0.00 C ATOM 349 O GLY A 331 15.469 5.263 -0.298 1.00 0.00 O ATOM 0 H GLY A 331 14.815 3.341 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 331 15.931 5.165 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.137 4.125 1.586 1.00 0.00 H new ATOM 353 N ASP A 332 14.540 3.264 0.181 1.00 0.00 N ATOM 354 CA ASP A 332 13.778 3.179 -1.030 1.00 0.00 C ATOM 355 C ASP A 332 12.738 4.287 -1.094 1.00 0.00 C ATOM 356 O ASP A 332 11.965 4.458 -0.172 1.00 0.00 O ATOM 357 CB ASP A 332 13.103 1.811 -1.108 1.00 0.00 C ATOM 358 CG ASP A 332 12.630 1.473 -2.507 1.00 0.00 C ATOM 359 OD1 ASP A 332 13.031 2.181 -3.456 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.862 0.500 -2.657 1.00 0.00 O ATOM 0 H ASP A 332 14.422 2.465 0.803 1.00 0.00 H new ATOM 0 HA ASP A 332 14.450 3.301 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.802 1.046 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 332 12.253 1.790 -0.426 1.00 0.00 H new ATOM 365 N LEU A 333 12.699 5.042 -2.177 1.00 0.00 N ATOM 366 CA LEU A 333 11.715 6.112 -2.277 1.00 0.00 C ATOM 367 C LEU A 333 10.558 5.662 -3.169 1.00 0.00 C ATOM 368 O LEU A 333 10.786 5.145 -4.259 1.00 0.00 O ATOM 369 CB LEU A 333 12.352 7.375 -2.853 1.00 0.00 C ATOM 370 CG LEU A 333 13.439 7.992 -1.984 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.817 7.687 -2.552 1.00 0.00 C ATOM 372 CD2 LEU A 333 13.231 9.495 -1.856 1.00 0.00 C ATOM 0 H LEU A 333 13.318 4.942 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 333 11.340 6.338 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.776 7.139 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.571 8.118 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 333 13.375 7.551 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 333 15.580 8.137 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.965 6.608 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.895 8.098 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 333 14.017 9.919 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 333 13.266 9.953 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 333 12.260 9.690 -1.400 1.00 0.00 H new ATOM 384 N MET A 334 9.326 5.833 -2.689 1.00 0.00 N ATOM 385 CA MET A 334 8.138 5.404 -3.432 1.00 0.00 C ATOM 386 C MET A 334 7.032 6.453 -3.415 1.00 0.00 C ATOM 387 O MET A 334 7.123 7.447 -2.704 1.00 0.00 O ATOM 388 CB MET A 334 7.617 4.086 -2.870 1.00 0.00 C ATOM 389 CG MET A 334 8.327 2.872 -3.432 1.00 0.00 C ATOM 390 SD MET A 334 9.089 3.178 -5.040 1.00 0.00 S ATOM 391 CE MET A 334 10.464 2.032 -4.997 1.00 0.00 C ATOM 0 H MET A 334 9.123 6.266 -1.788 1.00 0.00 H new ATOM 0 HA MET A 334 8.439 5.268 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.727 4.093 -1.786 1.00 0.00 H new ATOM 0 HB3 MET A 334 6.551 4.005 -3.082 1.00 0.00 H new ATOM 0 HG2 MET A 334 9.095 2.549 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A 334 7.615 2.052 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 334 11.372 2.541 -5.321 1.00 0.00 H new ATOM 0 HE2 MET A 334 10.598 1.663 -3.980 1.00 0.00 H new ATOM 0 HE3 MET A 334 10.260 1.194 -5.663 1.00 0.00 H new ATOM 401 N ALA A 335 5.991 6.234 -4.219 1.00 0.00 N ATOM 402 CA ALA A 335 4.883 7.183 -4.290 1.00 0.00 C ATOM 403 C ALA A 335 3.675 6.693 -3.495 1.00 0.00 C ATOM 404 O ALA A 335 3.367 5.503 -3.483 1.00 0.00 O ATOM 405 CB ALA A 335 4.495 7.429 -5.740 1.00 0.00 C ATOM 0 H ALA A 335 5.893 5.418 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 335 5.216 8.120 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.668 8.138 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.349 7.837 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 335 4.189 6.489 -6.199 1.00 0.00 H new ATOM 411 N ILE A 336 2.998 7.627 -2.827 1.00 0.00 N ATOM 412 CA ILE A 336 1.823 7.304 -2.017 1.00 0.00 C ATOM 413 C ILE A 336 0.539 7.718 -2.728 1.00 0.00 C ATOM 414 O ILE A 336 0.451 8.819 -3.276 1.00 0.00 O ATOM 415 CB ILE A 336 1.876 8.005 -0.643 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.411 9.431 -0.790 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.735 7.209 0.327 1.00 0.00 C ATOM 418 CD1 ILE A 336 2.352 10.239 0.489 1.00 0.00 C ATOM 0 H ILE A 336 3.244 8.617 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 336 1.828 6.224 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 336 0.864 8.058 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.444 9.388 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 336 1.839 9.946 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.762 7.717 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 336 2.312 6.212 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.748 7.126 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.748 11.238 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 336 1.318 10.314 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.948 9.747 1.258 1.00 0.00 H new ATOM 430 N LEU A 337 -0.452 6.828 -2.730 1.00 0.00 N ATOM 431 CA LEU A 337 -1.721 7.107 -3.390 1.00 0.00 C ATOM 432 C LEU A 337 -2.918 6.741 -2.510 1.00 0.00 C ATOM 433 O LEU A 337 -3.987 6.410 -3.020 1.00 0.00 O ATOM 434 CB LEU A 337 -1.799 6.327 -4.705 1.00 0.00 C ATOM 435 CG LEU A 337 -1.018 6.926 -5.881 1.00 0.00 C ATOM 436 CD1 LEU A 337 -1.197 8.437 -5.947 1.00 0.00 C ATOM 437 CD2 LEU A 337 0.457 6.566 -5.779 1.00 0.00 C ATOM 0 H LEU A 337 -0.399 5.912 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.764 8.179 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -1.434 5.315 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -2.847 6.242 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 337 -1.417 6.501 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.632 8.834 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -2.253 8.673 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -0.834 8.887 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.996 6.999 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.864 6.959 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 337 0.569 5.482 -5.795 1.00 0.00 H new ATOM 449 N SER A 338 -2.743 6.806 -1.192 1.00 0.00 N ATOM 450 CA SER A 338 -3.832 6.480 -0.273 1.00 0.00 C ATOM 451 C SER A 338 -3.751 7.276 1.015 1.00 0.00 C ATOM 452 O SER A 338 -2.697 7.787 1.396 1.00 0.00 O ATOM 453 CB SER A 338 -3.849 4.987 0.059 1.00 0.00 C ATOM 454 OG SER A 338 -5.019 4.367 -0.446 1.00 0.00 O ATOM 0 H SER A 338 -1.870 7.078 -0.740 1.00 0.00 H new ATOM 0 HA SER A 338 -4.755 6.748 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 338 -2.967 4.507 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 338 -3.798 4.851 1.139 1.00 0.00 H new ATOM 0 HG SER A 338 -5.810 4.785 -0.046 1.00 0.00 H new ATOM 460 N LYS A 339 -4.892 7.351 1.677 1.00 0.00 N ATOM 461 CA LYS A 339 -5.038 8.047 2.928 1.00 0.00 C ATOM 462 C LYS A 339 -5.183 6.996 4.009 1.00 0.00 C ATOM 463 O LYS A 339 -4.509 5.968 3.942 1.00 0.00 O ATOM 464 CB LYS A 339 -6.275 8.923 2.788 1.00 0.00 C ATOM 465 CG LYS A 339 -7.597 8.163 2.804 1.00 0.00 C ATOM 466 CD LYS A 339 -7.854 7.447 1.481 1.00 0.00 C ATOM 467 CE LYS A 339 -8.048 8.434 0.341 1.00 0.00 C ATOM 468 NZ LYS A 339 -9.024 9.503 0.690 1.00 0.00 N ATOM 0 H LYS A 339 -5.755 6.919 1.348 1.00 0.00 H new ATOM 0 HA LYS A 339 -4.190 8.680 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.281 9.653 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.204 9.483 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -7.588 7.435 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -8.413 8.857 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -7.016 6.788 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -8.739 6.817 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -7.090 8.887 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -8.394 7.902 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -9.346 9.976 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -9.840 9.082 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -8.568 10.199 1.314 1.00 0.00 H new ATOM 482 N LYS A 340 -6.111 7.170 4.945 1.00 0.00 N ATOM 483 CA LYS A 340 -6.340 6.117 5.916 1.00 0.00 C ATOM 484 C LYS A 340 -6.626 4.872 5.091 1.00 0.00 C ATOM 485 O LYS A 340 -6.450 3.737 5.534 1.00 0.00 O ATOM 486 CB LYS A 340 -7.521 6.444 6.829 1.00 0.00 C ATOM 487 CG LYS A 340 -7.247 6.196 8.305 1.00 0.00 C ATOM 488 CD LYS A 340 -6.633 4.823 8.540 1.00 0.00 C ATOM 489 CE LYS A 340 -7.692 3.732 8.530 1.00 0.00 C ATOM 490 NZ LYS A 340 -7.775 3.026 9.838 1.00 0.00 N ATOM 0 H LYS A 340 -6.695 8.000 5.048 1.00 0.00 H new ATOM 0 HA LYS A 340 -5.481 5.987 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -7.795 7.490 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -8.380 5.846 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -6.575 6.965 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -8.177 6.280 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -5.890 4.618 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -6.110 4.816 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -8.661 4.169 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -7.465 3.013 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -8.367 2.177 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -6.821 2.748 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -8.195 3.659 10.548 1.00 0.00 H new ATOM 504 N ASP A 341 -7.025 5.176 3.841 1.00 0.00 N ATOM 505 CA ASP A 341 -7.328 4.228 2.774 1.00 0.00 C ATOM 506 C ASP A 341 -8.843 4.067 2.558 1.00 0.00 C ATOM 507 O ASP A 341 -9.342 4.394 1.481 1.00 0.00 O ATOM 508 CB ASP A 341 -6.653 2.866 2.985 1.00 0.00 C ATOM 509 CG ASP A 341 -5.984 2.353 1.726 1.00 0.00 C ATOM 510 OD1 ASP A 341 -6.709 1.951 0.791 1.00 0.00 O ATOM 511 OD2 ASP A 341 -4.736 2.353 1.672 1.00 0.00 O ATOM 0 H ASP A 341 -7.148 6.143 3.542 1.00 0.00 H new ATOM 0 HA ASP A 341 -6.907 4.656 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -5.911 2.950 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -7.397 2.143 3.319 1.00 0.00 H new ATOM 516 N PRO A 342 -9.608 3.556 3.553 1.00 0.00 N ATOM 517 CA PRO A 342 -11.044 3.364 3.420 1.00 0.00 C ATOM 518 C PRO A 342 -11.859 4.523 3.998 1.00 0.00 C ATOM 519 O PRO A 342 -12.208 5.465 3.285 1.00 0.00 O ATOM 520 CB PRO A 342 -11.276 2.085 4.227 1.00 0.00 C ATOM 521 CG PRO A 342 -10.155 2.022 5.228 1.00 0.00 C ATOM 522 CD PRO A 342 -9.163 3.108 4.876 1.00 0.00 C ATOM 0 HA PRO A 342 -11.360 3.308 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -12.245 2.108 4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -11.272 1.208 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -10.536 2.165 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -9.675 1.043 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -9.181 3.920 5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -8.142 2.727 4.849 1.00 0.00 H new ATOM 530 N LEU A 343 -12.168 4.441 5.293 1.00 0.00 N ATOM 531 CA LEU A 343 -12.950 5.473 5.968 1.00 0.00 C ATOM 532 C LEU A 343 -12.266 6.833 5.891 1.00 0.00 C ATOM 533 O LEU A 343 -12.924 7.871 5.946 1.00 0.00 O ATOM 534 CB LEU A 343 -13.177 5.092 7.436 1.00 0.00 C ATOM 535 CG LEU A 343 -14.190 3.969 7.681 1.00 0.00 C ATOM 536 CD1 LEU A 343 -15.474 4.212 6.899 1.00 0.00 C ATOM 537 CD2 LEU A 343 -13.589 2.621 7.316 1.00 0.00 C ATOM 0 H LEU A 343 -11.887 3.667 5.895 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.910 5.545 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -12.221 4.795 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -13.508 5.979 7.976 1.00 0.00 H new ATOM 0 HG LEU A 343 -14.438 3.962 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -16.176 3.400 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -15.918 5.157 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -15.249 4.253 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -14.322 1.835 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -13.308 2.621 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -12.705 2.439 7.927 1.00 0.00 H new ATOM 549 N GLY A 344 -10.944 6.823 5.772 1.00 0.00 N ATOM 550 CA GLY A 344 -10.200 8.065 5.699 1.00 0.00 C ATOM 551 C GLY A 344 -9.967 8.674 7.068 1.00 0.00 C ATOM 552 O GLY A 344 -9.876 9.893 7.207 1.00 0.00 O ATOM 0 H GLY A 344 -10.375 5.978 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.240 7.884 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.742 8.775 5.075 1.00 0.00 H new ATOM 556 N ARG A 345 -9.877 7.817 8.082 1.00 0.00 N ATOM 557 CA ARG A 345 -9.659 8.267 9.451 1.00 0.00 C ATOM 558 C ARG A 345 -8.255 8.832 9.644 1.00 0.00 C ATOM 559 O ARG A 345 -7.623 9.292 8.692 1.00 0.00 O ATOM 560 CB ARG A 345 -9.902 7.122 10.429 1.00 0.00 C ATOM 561 CG ARG A 345 -10.441 7.595 11.761 1.00 0.00 C ATOM 562 CD ARG A 345 -10.988 6.449 12.583 1.00 0.00 C ATOM 563 NE ARG A 345 -11.948 6.903 13.585 1.00 0.00 N ATOM 564 CZ ARG A 345 -11.898 6.553 14.867 1.00 0.00 C ATOM 565 NH1 ARG A 345 -10.950 5.733 15.298 1.00 0.00 N ATOM 566 NH2 ARG A 345 -12.799 7.022 15.719 1.00 0.00 N ATOM 0 H ARG A 345 -9.952 6.805 7.979 1.00 0.00 H new ATOM 0 HA ARG A 345 -10.370 9.069 9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -10.605 6.416 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -8.968 6.583 10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -9.648 8.096 12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -11.227 8.331 11.594 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -11.468 5.726 11.923 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -10.165 5.932 13.077 1.00 0.00 H new ATOM 0 HE ARG A 345 -12.700 7.524 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -10.256 5.368 14.646 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -10.915 5.467 16.282 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -13.531 7.652 15.391 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -12.760 6.753 16.702 1.00 0.00 H new ATOM 580 N ASP A 346 -7.782 8.816 10.889 1.00 0.00 N ATOM 581 CA ASP A 346 -6.465 9.349 11.213 1.00 0.00 C ATOM 582 C ASP A 346 -5.414 8.255 11.389 1.00 0.00 C ATOM 583 O ASP A 346 -4.217 8.540 11.343 1.00 0.00 O ATOM 584 CB ASP A 346 -6.552 10.190 12.481 1.00 0.00 C ATOM 585 CG ASP A 346 -6.096 11.621 12.265 1.00 0.00 C ATOM 586 OD1 ASP A 346 -6.796 12.365 11.546 1.00 0.00 O ATOM 587 OD2 ASP A 346 -5.038 11.995 12.813 1.00 0.00 O ATOM 0 H ASP A 346 -8.293 8.439 11.688 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.148 9.965 10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -7.581 10.191 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -5.942 9.732 13.259 1.00 0.00 H new ATOM 592 N SER A 347 -5.852 7.013 11.591 1.00 0.00 N ATOM 593 CA SER A 347 -4.919 5.898 11.770 1.00 0.00 C ATOM 594 C SER A 347 -3.856 5.917 10.672 1.00 0.00 C ATOM 595 O SER A 347 -4.028 6.579 9.648 1.00 0.00 O ATOM 596 CB SER A 347 -5.660 4.562 11.764 1.00 0.00 C ATOM 597 OG SER A 347 -6.332 4.345 12.993 1.00 0.00 O ATOM 0 H SER A 347 -6.837 6.753 11.635 1.00 0.00 H new ATOM 0 HA SER A 347 -4.430 6.014 12.738 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.379 4.545 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.953 3.752 11.584 1.00 0.00 H new ATOM 0 HG SER A 347 -6.800 3.484 12.963 1.00 0.00 H new ATOM 603 N ASP A 348 -2.743 5.220 10.893 1.00 0.00 N ATOM 604 CA ASP A 348 -1.665 5.217 9.919 1.00 0.00 C ATOM 605 C ASP A 348 -1.617 3.931 9.085 1.00 0.00 C ATOM 606 O ASP A 348 -1.107 2.895 9.511 1.00 0.00 O ATOM 607 CB ASP A 348 -0.352 5.455 10.655 1.00 0.00 C ATOM 608 CG ASP A 348 0.231 4.200 11.282 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.304 3.752 12.318 1.00 0.00 O ATOM 610 OD2 ASP A 348 1.221 3.669 10.739 1.00 0.00 O ATOM 0 H ASP A 348 -2.569 4.659 11.727 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.843 6.018 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 348 0.374 5.874 9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 348 -0.512 6.200 11.435 1.00 0.00 H new ATOM 615 N TRP A 349 -2.133 4.034 7.865 1.00 0.00 N ATOM 616 CA TRP A 349 -2.157 2.919 6.923 1.00 0.00 C ATOM 617 C TRP A 349 -2.325 3.458 5.513 1.00 0.00 C ATOM 618 O TRP A 349 -3.415 3.886 5.132 1.00 0.00 O ATOM 619 CB TRP A 349 -3.306 1.961 7.247 1.00 0.00 C ATOM 620 CG TRP A 349 -2.848 0.631 7.759 1.00 0.00 C ATOM 621 CD1 TRP A 349 -3.092 0.104 8.995 1.00 0.00 C ATOM 622 CD2 TRP A 349 -2.065 -0.343 7.054 1.00 0.00 C ATOM 623 NE1 TRP A 349 -2.508 -1.134 9.104 1.00 0.00 N ATOM 624 CE2 TRP A 349 -1.872 -1.431 7.929 1.00 0.00 C ATOM 625 CE3 TRP A 349 -1.507 -0.406 5.771 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -1.146 -2.560 7.564 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.789 -1.525 5.415 1.00 0.00 C ATOM 628 CH2 TRP A 349 -0.611 -2.590 6.306 1.00 0.00 C ATOM 0 H TRP A 349 -2.547 4.892 7.501 1.00 0.00 H new ATOM 0 HA TRP A 349 -1.218 2.371 7.002 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.956 2.423 7.990 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.906 1.809 6.350 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -3.661 0.590 9.773 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -2.543 -1.735 9.927 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.638 0.408 5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 -1.010 -3.383 8.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 -0.354 -1.583 4.428 1.00 0.00 H new ATOM 0 HH2 TRP A 349 -0.040 -3.452 5.994 1.00 0.00 H new ATOM 639 N TRP A 350 -1.243 3.464 4.745 1.00 0.00 N ATOM 640 CA TRP A 350 -1.292 3.991 3.390 1.00 0.00 C ATOM 641 C TRP A 350 -0.907 2.953 2.348 1.00 0.00 C ATOM 642 O TRP A 350 -0.112 2.053 2.604 1.00 0.00 O ATOM 643 CB TRP A 350 -0.348 5.185 3.254 1.00 0.00 C ATOM 644 CG TRP A 350 -0.688 6.353 4.128 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.828 6.555 4.851 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.136 7.494 4.356 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.760 7.757 5.514 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.560 8.352 5.225 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.400 7.867 3.905 1.00 0.00 C ATOM 650 CZ2 TRP A 350 -0.029 9.566 5.651 1.00 0.00 C ATOM 651 CZ3 TRP A 350 1.926 9.067 4.326 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.214 9.907 5.191 1.00 0.00 C ATOM 0 H TRP A 350 -0.330 3.113 5.034 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.324 4.292 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.666 4.858 3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.347 5.514 2.215 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.662 5.870 4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.483 8.143 6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 350 1.957 7.226 3.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.577 10.214 6.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 2.905 9.366 3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.655 10.843 5.501 1.00 0.00 H new ATOM 663 N LYS A 351 -1.453 3.131 1.155 1.00 0.00 N ATOM 664 CA LYS A 351 -1.166 2.270 0.026 1.00 0.00 C ATOM 665 C LYS A 351 -0.213 3.008 -0.905 1.00 0.00 C ATOM 666 O LYS A 351 -0.395 4.199 -1.164 1.00 0.00 O ATOM 667 CB LYS A 351 -2.470 1.875 -0.686 1.00 0.00 C ATOM 668 CG LYS A 351 -2.819 2.711 -1.910 1.00 0.00 C ATOM 669 CD LYS A 351 -2.048 2.274 -3.147 1.00 0.00 C ATOM 670 CE LYS A 351 -2.732 2.739 -4.422 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.740 1.756 -4.901 1.00 0.00 N ATOM 0 H LYS A 351 -2.111 3.882 0.945 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.693 1.346 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.398 0.830 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -3.291 1.945 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.889 2.635 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.606 3.760 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.036 2.677 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.958 1.188 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.217 3.699 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -1.983 2.899 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.110 2.060 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.295 0.821 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.521 1.698 -4.217 1.00 0.00 H new ATOM 685 N VAL A 352 0.824 2.327 -1.376 1.00 0.00 N ATOM 686 CA VAL A 352 1.801 2.981 -2.237 1.00 0.00 C ATOM 687 C VAL A 352 2.150 2.168 -3.474 1.00 0.00 C ATOM 688 O VAL A 352 1.916 0.957 -3.540 1.00 0.00 O ATOM 689 CB VAL A 352 3.103 3.290 -1.468 1.00 0.00 C ATOM 690 CG1 VAL A 352 2.795 3.882 -0.103 1.00 0.00 C ATOM 691 CG2 VAL A 352 3.962 2.040 -1.328 1.00 0.00 C ATOM 0 H VAL A 352 1.009 1.343 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 352 1.325 3.906 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 352 3.666 4.026 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 352 3.727 4.092 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 352 2.232 4.807 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 352 2.205 3.172 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 352 4.874 2.284 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 352 3.407 1.276 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 352 4.221 1.664 -2.318 1.00 0.00 H new ATOM 701 N ARG A 353 2.744 2.861 -4.441 1.00 0.00 N ATOM 702 CA ARG A 353 3.182 2.257 -5.685 1.00 0.00 C ATOM 703 C ARG A 353 4.691 2.417 -5.822 1.00 0.00 C ATOM 704 O ARG A 353 5.232 3.515 -5.629 1.00 0.00 O ATOM 705 CB ARG A 353 2.483 2.908 -6.877 1.00 0.00 C ATOM 706 CG ARG A 353 0.982 2.730 -6.872 1.00 0.00 C ATOM 707 CD ARG A 353 0.317 3.599 -7.925 1.00 0.00 C ATOM 708 NE ARG A 353 -1.138 3.577 -7.813 1.00 0.00 N ATOM 709 CZ ARG A 353 -1.940 3.085 -8.752 1.00 0.00 C ATOM 710 NH1 ARG A 353 -1.428 2.581 -9.867 1.00 0.00 N ATOM 711 NH2 ARG A 353 -3.253 3.096 -8.578 1.00 0.00 N ATOM 0 H ARG A 353 2.934 3.861 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 353 2.924 1.198 -5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 353 2.714 3.973 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.887 2.488 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 353 0.738 1.684 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 353 0.588 2.982 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 353 0.673 4.625 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 353 0.609 3.254 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 353 -1.563 3.960 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -0.417 2.571 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -2.045 2.204 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 353 -3.651 3.483 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 353 -3.866 2.718 -9.300 1.00 0.00 H new ATOM 725 N THR A 354 5.370 1.320 -6.138 1.00 0.00 N ATOM 726 CA THR A 354 6.819 1.339 -6.287 1.00 0.00 C ATOM 727 C THR A 354 7.231 1.012 -7.714 1.00 0.00 C ATOM 728 O THR A 354 6.755 0.038 -8.296 1.00 0.00 O ATOM 729 CB THR A 354 7.498 0.348 -5.326 1.00 0.00 C ATOM 730 OG1 THR A 354 7.831 -0.863 -6.014 1.00 0.00 O ATOM 731 CG2 THR A 354 6.594 0.044 -4.142 1.00 0.00 C ATOM 0 H THR A 354 4.941 0.408 -6.296 1.00 0.00 H new ATOM 0 HA THR A 354 7.146 2.350 -6.042 1.00 0.00 H new ATOM 0 HB THR A 354 8.414 0.806 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 354 8.100 -1.545 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.093 -0.659 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.378 0.966 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.662 -0.394 -4.499 1.00 0.00 H new ATOM 739 N LYS A 355 8.122 1.831 -8.266 1.00 0.00 N ATOM 740 CA LYS A 355 8.606 1.635 -9.627 1.00 0.00 C ATOM 741 C LYS A 355 7.445 1.391 -10.585 1.00 0.00 C ATOM 742 O LYS A 355 7.607 0.740 -11.619 1.00 0.00 O ATOM 743 CB LYS A 355 9.585 0.465 -9.666 1.00 0.00 C ATOM 744 CG LYS A 355 10.558 0.474 -8.502 1.00 0.00 C ATOM 745 CD LYS A 355 10.896 -0.937 -8.048 1.00 0.00 C ATOM 746 CE LYS A 355 12.067 -0.945 -7.078 1.00 0.00 C ATOM 747 NZ LYS A 355 11.881 -1.948 -5.993 1.00 0.00 N ATOM 0 H LYS A 355 8.524 2.638 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 355 9.122 2.540 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.026 -0.471 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.144 0.496 -10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.471 0.992 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.127 1.032 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.024 -1.386 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 355 11.137 -1.552 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.987 -1.163 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 355 12.183 0.046 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 12.700 -1.923 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 11.017 -1.725 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 11.796 -2.897 -6.409 1.00 0.00 H new ATOM 761 N ASN A 356 6.275 1.915 -10.227 1.00 0.00 N ATOM 762 CA ASN A 356 5.076 1.757 -11.041 1.00 0.00 C ATOM 763 C ASN A 356 4.731 0.281 -11.209 1.00 0.00 C ATOM 764 O ASN A 356 4.405 -0.170 -12.307 1.00 0.00 O ATOM 765 CB ASN A 356 5.269 2.413 -12.410 1.00 0.00 C ATOM 766 CG ASN A 356 3.982 2.993 -12.965 1.00 0.00 C ATOM 767 OD1 ASN A 356 2.894 2.239 -12.852 1.00 0.00 O flip ATOM 768 ND2 ASN A 356 3.966 4.108 -13.486 1.00 0.00 N flip ATOM 0 H ASN A 356 6.133 2.455 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 356 4.249 2.250 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 356 6.014 3.204 -12.328 1.00 0.00 H new ATOM 0 HB3 ASN A 356 5.663 1.676 -13.110 1.00 0.00 H new ATOM 0 HD21 ASN A 356 4.826 4.653 -13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 356 3.093 4.487 -13.852 1.00 0.00 H new ATOM 775 N GLY A 357 4.802 -0.467 -10.111 1.00 0.00 N ATOM 776 CA GLY A 357 4.494 -1.882 -10.165 1.00 0.00 C ATOM 777 C GLY A 357 4.037 -2.445 -8.833 1.00 0.00 C ATOM 778 O GLY A 357 2.977 -3.064 -8.755 1.00 0.00 O ATOM 0 H GLY A 357 5.066 -0.119 -9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 357 3.716 -2.050 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 357 5.377 -2.427 -10.499 1.00 0.00 H new ATOM 782 N ASN A 358 4.826 -2.235 -7.780 1.00 0.00 N ATOM 783 CA ASN A 358 4.457 -2.738 -6.464 1.00 0.00 C ATOM 784 C ASN A 358 3.396 -1.847 -5.843 1.00 0.00 C ATOM 785 O ASN A 358 3.707 -0.892 -5.130 1.00 0.00 O ATOM 786 CB ASN A 358 5.676 -2.823 -5.550 1.00 0.00 C ATOM 787 CG ASN A 358 6.299 -4.205 -5.548 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.592 -4.722 -4.360 1.00 0.00 O flip ATOM 789 ND2 ASN A 358 6.515 -4.803 -6.602 1.00 0.00 N flip ATOM 0 H ASN A 358 5.710 -1.728 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 358 4.052 -3.743 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 358 6.419 -2.093 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.385 -2.557 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 358 6.274 -4.369 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 358 6.935 -5.733 -6.584 1.00 0.00 H new ATOM 796 N ILE A 359 2.142 -2.161 -6.135 1.00 0.00 N ATOM 797 CA ILE A 359 1.024 -1.389 -5.622 1.00 0.00 C ATOM 798 C ILE A 359 0.300 -2.145 -4.517 1.00 0.00 C ATOM 799 O ILE A 359 -0.516 -3.028 -4.781 1.00 0.00 O ATOM 800 CB ILE A 359 0.031 -1.038 -6.746 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.794 -0.655 -8.016 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.879 0.095 -6.307 1.00 0.00 C ATOM 803 CD1 ILE A 359 -0.072 -0.581 -9.256 1.00 0.00 C ATOM 0 H ILE A 359 1.875 -2.948 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 359 1.429 -0.465 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 359 -0.586 -1.910 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 359 1.273 0.312 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 359 1.589 -1.382 -8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.576 0.334 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -1.436 -0.209 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.279 0.975 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.542 -0.304 -10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 359 -0.531 -1.553 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -0.851 0.167 -9.111 1.00 0.00 H new ATOM 815 N GLY A 360 0.609 -1.789 -3.275 1.00 0.00 N ATOM 816 CA GLY A 360 -0.013 -2.438 -2.136 1.00 0.00 C ATOM 817 C GLY A 360 -0.215 -1.480 -0.983 1.00 0.00 C ATOM 818 O GLY A 360 -0.366 -0.279 -1.196 1.00 0.00 O ATOM 0 H GLY A 360 1.281 -1.060 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.975 -2.854 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.607 -3.273 -1.810 1.00 0.00 H new ATOM 822 N TYR A 361 -0.207 -2.000 0.240 1.00 0.00 N ATOM 823 CA TYR A 361 -0.384 -1.152 1.414 1.00 0.00 C ATOM 824 C TYR A 361 0.894 -1.095 2.234 1.00 0.00 C ATOM 825 O TYR A 361 1.847 -1.828 1.972 1.00 0.00 O ATOM 826 CB TYR A 361 -1.539 -1.652 2.286 1.00 0.00 C ATOM 827 CG TYR A 361 -2.865 -1.732 1.562 1.00 0.00 C ATOM 828 CD1 TYR A 361 -3.242 -2.889 0.890 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.740 -0.653 1.551 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.453 -2.967 0.228 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.952 -0.725 0.892 1.00 0.00 C ATOM 832 CZ TYR A 361 -5.304 -1.883 0.232 1.00 0.00 C ATOM 833 OH TYR A 361 -6.510 -1.956 -0.427 1.00 0.00 O ATOM 0 H TYR A 361 -0.082 -2.992 0.443 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.624 -0.148 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -1.288 -2.639 2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.645 -0.990 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.578 -3.741 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -3.468 0.257 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.731 -3.873 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -5.621 0.123 0.894 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.990 -1.108 -0.326 1.00 0.00 H new ATOM 843 N ILE A 362 0.903 -0.225 3.235 1.00 0.00 N ATOM 844 CA ILE A 362 2.058 -0.074 4.106 1.00 0.00 C ATOM 845 C ILE A 362 1.774 0.893 5.251 1.00 0.00 C ATOM 846 O ILE A 362 1.446 2.060 5.025 1.00 0.00 O ATOM 847 CB ILE A 362 3.309 0.423 3.350 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.366 0.899 4.353 1.00 0.00 C ATOM 849 CG2 ILE A 362 2.943 1.540 2.383 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.748 1.058 3.767 1.00 0.00 C ATOM 0 H ILE A 362 0.120 0.388 3.463 1.00 0.00 H new ATOM 0 HA ILE A 362 2.257 -1.070 4.501 1.00 0.00 H new ATOM 0 HB ILE A 362 3.721 -0.402 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 362 4.049 1.854 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.413 0.189 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.838 1.876 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.217 1.171 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.511 2.374 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.435 1.398 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 362 6.089 0.100 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 362 5.719 1.791 2.961 1.00 0.00 H new ATOM 862 N PRO A 363 1.921 0.415 6.497 1.00 0.00 N ATOM 863 CA PRO A 363 1.716 1.220 7.698 1.00 0.00 C ATOM 864 C PRO A 363 2.293 2.623 7.544 1.00 0.00 C ATOM 865 O PRO A 363 3.441 2.775 7.123 1.00 0.00 O ATOM 866 CB PRO A 363 2.505 0.454 8.778 1.00 0.00 C ATOM 867 CG PRO A 363 3.073 -0.767 8.113 1.00 0.00 C ATOM 868 CD PRO A 363 2.318 -0.951 6.833 1.00 0.00 C ATOM 0 HA PRO A 363 0.658 1.351 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.300 1.075 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 363 1.855 0.176 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.138 -0.642 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 363 2.966 -1.642 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 363 2.940 -1.395 6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 363 1.455 -1.604 6.962 1.00 0.00 H new ATOM 876 N TYR A 364 1.516 3.651 7.885 1.00 0.00 N ATOM 877 CA TYR A 364 2.022 5.018 7.764 1.00 0.00 C ATOM 878 C TYR A 364 3.006 5.309 8.897 1.00 0.00 C ATOM 879 O TYR A 364 2.623 5.730 9.991 1.00 0.00 O ATOM 880 CB TYR A 364 0.877 6.043 7.730 1.00 0.00 C ATOM 881 CG TYR A 364 1.278 7.458 8.121 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.470 8.024 7.674 1.00 0.00 C ATOM 883 CD2 TYR A 364 0.462 8.223 8.945 1.00 0.00 C ATOM 884 CE1 TYR A 364 2.831 9.308 8.037 1.00 0.00 C ATOM 885 CE2 TYR A 364 0.817 9.507 9.310 1.00 0.00 C ATOM 886 CZ TYR A 364 2.002 10.044 8.855 1.00 0.00 C ATOM 887 OH TYR A 364 2.358 11.322 9.217 1.00 0.00 O ATOM 0 H TYR A 364 0.562 3.569 8.237 1.00 0.00 H new ATOM 0 HA TYR A 364 2.551 5.110 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.456 6.064 6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 364 0.086 5.706 8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 364 3.123 7.450 7.033 1.00 0.00 H new ATOM 0 HD2 TYR A 364 -0.466 7.806 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.758 9.732 7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 364 0.169 10.088 9.949 1.00 0.00 H new ATOM 0 HH TYR A 364 1.665 11.703 9.795 1.00 0.00 H new ATOM 897 N ASN A 365 4.278 5.068 8.602 1.00 0.00 N ATOM 898 CA ASN A 365 5.372 5.275 9.548 1.00 0.00 C ATOM 899 C ASN A 365 6.666 4.740 8.947 1.00 0.00 C ATOM 900 O ASN A 365 7.738 5.319 9.128 1.00 0.00 O ATOM 901 CB ASN A 365 5.087 4.581 10.884 1.00 0.00 C ATOM 902 CG ASN A 365 4.948 3.078 10.742 1.00 0.00 C ATOM 903 OD1 ASN A 365 4.467 2.582 9.725 1.00 0.00 O ATOM 904 ND2 ASN A 365 5.373 2.345 11.765 1.00 0.00 N ATOM 0 H ASN A 365 4.583 4.721 7.693 1.00 0.00 H new ATOM 0 HA ASN A 365 5.469 6.344 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 365 5.893 4.803 11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 365 4.171 4.988 11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 365 5.307 1.328 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 365 5.766 2.799 12.590 1.00 0.00 H new ATOM 911 N TYR A 366 6.547 3.633 8.216 1.00 0.00 N ATOM 912 CA TYR A 366 7.691 3.012 7.562 1.00 0.00 C ATOM 913 C TYR A 366 8.086 3.802 6.318 1.00 0.00 C ATOM 914 O TYR A 366 8.994 3.410 5.586 1.00 0.00 O ATOM 915 CB TYR A 366 7.353 1.572 7.168 1.00 0.00 C ATOM 916 CG TYR A 366 7.670 0.552 8.238 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.812 0.353 9.311 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.825 -0.217 8.170 1.00 0.00 C ATOM 919 CE1 TYR A 366 7.095 -0.583 10.287 1.00 0.00 C ATOM 920 CE2 TYR A 366 9.116 -1.154 9.143 1.00 0.00 C ATOM 921 CZ TYR A 366 8.248 -1.333 10.199 1.00 0.00 C ATOM 922 OH TYR A 366 8.534 -2.266 11.168 1.00 0.00 O ATOM 0 H TYR A 366 5.663 3.147 8.063 1.00 0.00 H new ATOM 0 HA TYR A 366 8.528 3.008 8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 366 6.292 1.512 6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 366 7.902 1.316 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 366 5.908 0.940 9.384 1.00 0.00 H new ATOM 0 HD2 TYR A 366 9.506 -0.080 7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 366 6.416 -0.726 11.115 1.00 0.00 H new ATOM 0 HE2 TYR A 366 10.019 -1.743 9.077 1.00 0.00 H new ATOM 0 HH TYR A 366 9.382 -2.708 10.956 1.00 0.00 H new ATOM 932 N ILE A 367 7.391 4.914 6.085 1.00 0.00 N ATOM 933 CA ILE A 367 7.661 5.761 4.929 1.00 0.00 C ATOM 934 C ILE A 367 7.551 7.241 5.286 1.00 0.00 C ATOM 935 O ILE A 367 6.636 7.651 5.999 1.00 0.00 O ATOM 936 CB ILE A 367 6.698 5.459 3.766 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.260 5.341 4.276 1.00 0.00 C ATOM 938 CG2 ILE A 367 7.120 4.187 3.047 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.223 5.791 3.269 1.00 0.00 C ATOM 0 H ILE A 367 6.636 5.248 6.684 1.00 0.00 H new ATOM 0 HA ILE A 367 8.681 5.538 4.615 1.00 0.00 H new ATOM 0 HB ILE A 367 6.740 6.285 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 367 5.064 4.304 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 367 5.155 5.935 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.430 3.986 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 367 8.128 4.310 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 367 7.105 3.351 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.227 5.680 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.393 6.837 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.301 5.181 2.369 1.00 0.00 H new ATOM 951 N GLU A 368 8.493 8.037 4.785 1.00 0.00 N ATOM 952 CA GLU A 368 8.505 9.470 5.051 1.00 0.00 C ATOM 953 C GLU A 368 7.733 10.227 3.977 1.00 0.00 C ATOM 954 O GLU A 368 7.572 9.741 2.858 1.00 0.00 O ATOM 955 CB GLU A 368 9.941 9.994 5.114 1.00 0.00 C ATOM 956 CG GLU A 368 10.075 11.302 5.878 1.00 0.00 C ATOM 957 CD GLU A 368 11.264 12.125 5.422 1.00 0.00 C ATOM 958 OE1 GLU A 368 12.411 11.696 5.662 1.00 0.00 O ATOM 959 OE2 GLU A 368 11.046 13.199 4.822 1.00 0.00 O ATOM 0 H GLU A 368 9.257 7.712 4.193 1.00 0.00 H new ATOM 0 HA GLU A 368 8.022 9.634 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.574 9.241 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.313 10.135 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 368 9.164 11.887 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 368 10.173 11.088 6.942 1.00 0.00 H new ATOM 966 N ILE A 369 7.268 11.424 4.318 1.00 0.00 N ATOM 967 CA ILE A 369 6.525 12.247 3.372 1.00 0.00 C ATOM 968 C ILE A 369 7.484 13.155 2.616 1.00 0.00 C ATOM 969 O ILE A 369 8.198 13.956 3.219 1.00 0.00 O ATOM 970 CB ILE A 369 5.446 13.105 4.067 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.879 12.400 5.303 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.328 13.438 3.091 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.632 10.922 5.115 1.00 0.00 C ATOM 0 H ILE A 369 7.392 11.844 5.239 1.00 0.00 H new ATOM 0 HA ILE A 369 6.019 11.573 2.681 1.00 0.00 H new ATOM 0 HB ILE A 369 5.918 14.030 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 369 5.570 12.538 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 369 3.942 12.881 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.574 14.043 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 369 4.736 13.994 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 369 3.872 12.516 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.231 10.500 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 369 3.917 10.773 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 369 5.570 10.425 4.866 1.00 0.00 H new ATOM 985 N ILE A 370 7.519 13.004 1.299 1.00 0.00 N ATOM 986 CA ILE A 370 8.421 13.789 0.469 1.00 0.00 C ATOM 987 C ILE A 370 7.689 14.439 -0.705 1.00 0.00 C ATOM 988 O ILE A 370 8.320 15.248 -1.418 1.00 0.00 O ATOM 989 CB ILE A 370 9.579 12.911 -0.038 1.00 0.00 C ATOM 990 CG1 ILE A 370 9.280 12.440 -1.447 1.00 0.00 C ATOM 991 CG2 ILE A 370 9.812 11.732 0.902 1.00 0.00 C ATOM 992 CD1 ILE A 370 10.188 11.336 -1.942 1.00 0.00 C ATOM 993 OXT ILE A 370 6.492 14.140 -0.896 1.00 0.00 O ATOM 0 H ILE A 370 6.934 12.346 0.784 1.00 0.00 H new ATOM 0 HA ILE A 370 8.826 14.591 1.086 1.00 0.00 H new ATOM 0 HB ILE A 370 10.495 13.501 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.248 12.092 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 370 9.358 13.290 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 370 10.635 11.124 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.060 12.103 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 370 8.908 11.126 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.904 11.060 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 370 11.221 11.684 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.094 10.468 -1.290 1.00 0.00 H new