USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4.3!) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-6!) USER MOD Single : A 387 TYR OH : rot 150:sc= -4.62! USER MOD Single : A 389 THR OG1 : rot 150:sc= -1.81! USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -154:sc= -0.0764 (180deg=-0.448) USER MOD Single : A 394 THR OG1 : rot -41:sc= -0.136! USER MOD Single : A 399 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 400 SER OG : rot -3:sc= -0.243 USER MOD Single : A 404 CYS SG : rot -86:sc= -4.06! USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 419 ASN :FLIP amide:sc= -0.24 F(o=-0.9,f=-0.24) USER MOD Single : A 421 LYS NZ :NH3+ 138:sc= -0.949 (180deg=-3.49!) USER MOD Single : A 430 ASN : amide:sc= -0.799 K(o=-0.8,f=-3.2!) USER MOD Single : A 435 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0185) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 441 TYR OH : rot 100:sc= -2.01 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.755 -6.839 6.640 1.00 0.00 N ATOM 41 CA ASP A 367 -9.028 -6.184 6.361 1.00 0.00 C ATOM 42 C ASP A 367 -9.663 -6.745 5.096 1.00 0.00 C ATOM 43 O ASP A 367 -9.182 -7.728 4.531 1.00 0.00 O ATOM 44 CB ASP A 367 -8.830 -4.674 6.220 1.00 0.00 C ATOM 45 CG ASP A 367 -8.824 -3.966 7.560 1.00 0.00 C ATOM 46 OD1 ASP A 367 -8.360 -4.572 8.550 1.00 0.00 O ATOM 47 OD2 ASP A 367 -9.283 -2.807 7.622 1.00 0.00 O ATOM 0 HA ASP A 367 -9.698 -6.378 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.889 -4.480 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.625 -4.262 5.598 1.00 0.00 H new ATOM 52 N MET A 368 -10.749 -6.118 4.657 1.00 0.00 N ATOM 53 CA MET A 368 -11.448 -6.560 3.459 1.00 0.00 C ATOM 54 C MET A 368 -11.024 -5.742 2.245 1.00 0.00 C ATOM 55 O MET A 368 -10.731 -6.294 1.186 1.00 0.00 O ATOM 56 CB MET A 368 -12.962 -6.453 3.655 1.00 0.00 C ATOM 57 CG MET A 368 -13.590 -7.704 4.251 1.00 0.00 C ATOM 58 SD MET A 368 -13.732 -9.046 3.055 1.00 0.00 S ATOM 59 CE MET A 368 -15.318 -9.744 3.512 1.00 0.00 C ATOM 0 H MET A 368 -11.162 -5.304 5.112 1.00 0.00 H new ATOM 0 HA MET A 368 -11.184 -7.603 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.177 -5.604 4.305 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.430 -6.245 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.991 -8.039 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 368 -14.580 -7.460 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 368 -15.546 -10.587 2.860 1.00 0.00 H new ATOM 0 HE2 MET A 368 -15.281 -10.085 4.547 1.00 0.00 H new ATOM 0 HE3 MET A 368 -16.093 -8.985 3.408 1.00 0.00 H new ATOM 69 N ASN A 369 -11.001 -4.425 2.404 1.00 0.00 N ATOM 70 CA ASN A 369 -10.618 -3.540 1.309 1.00 0.00 C ATOM 71 C ASN A 369 -9.492 -2.593 1.709 1.00 0.00 C ATOM 72 O ASN A 369 -9.724 -1.418 1.997 1.00 0.00 O ATOM 73 CB ASN A 369 -11.827 -2.734 0.851 1.00 0.00 C ATOM 74 CG ASN A 369 -12.282 -3.111 -0.546 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.465 -3.389 -1.423 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.593 -3.121 -0.760 1.00 0.00 N ATOM 0 H ASN A 369 -11.241 -3.948 3.273 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.254 -4.163 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.648 -2.888 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.582 -1.672 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -13.958 -3.366 -1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.235 -2.884 -0.004 1.00 0.00 H new ATOM 83 N ALA A 370 -8.273 -3.107 1.693 1.00 0.00 N ATOM 84 CA ALA A 370 -7.099 -2.301 2.020 1.00 0.00 C ATOM 85 C ALA A 370 -6.681 -1.485 0.813 1.00 0.00 C ATOM 86 O ALA A 370 -6.622 -0.262 0.866 1.00 0.00 O ATOM 87 CB ALA A 370 -5.943 -3.161 2.491 1.00 0.00 C ATOM 0 H ALA A 370 -8.066 -4.078 1.458 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.370 -1.632 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -5.089 -2.526 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.240 -3.713 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.668 -3.864 1.704 1.00 0.00 H new ATOM 93 N LYS A 371 -6.411 -2.173 -0.286 1.00 0.00 N ATOM 94 CA LYS A 371 -6.024 -1.506 -1.518 1.00 0.00 C ATOM 95 C LYS A 371 -7.089 -0.485 -1.888 1.00 0.00 C ATOM 96 O LYS A 371 -6.807 0.536 -2.498 1.00 0.00 O ATOM 97 CB LYS A 371 -5.854 -2.525 -2.648 1.00 0.00 C ATOM 98 CG LYS A 371 -7.044 -3.459 -2.812 1.00 0.00 C ATOM 99 CD LYS A 371 -6.844 -4.757 -2.047 1.00 0.00 C ATOM 100 CE LYS A 371 -7.502 -5.932 -2.756 1.00 0.00 C ATOM 101 NZ LYS A 371 -8.989 -5.864 -2.689 1.00 0.00 N ATOM 0 H LYS A 371 -6.453 -3.190 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 371 -5.070 -1.000 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.690 -1.992 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.960 -3.119 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.948 -2.963 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -7.193 -3.678 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.778 -4.952 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.260 -4.657 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.187 -5.948 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.161 -6.864 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -9.397 -6.683 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -9.293 -5.874 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.317 -4.987 -3.142 1.00 0.00 H new ATOM 115 N ARG A 372 -8.311 -0.781 -1.474 1.00 0.00 N ATOM 116 CA ARG A 372 -9.440 0.110 -1.727 1.00 0.00 C ATOM 117 C ARG A 372 -9.416 1.280 -0.755 1.00 0.00 C ATOM 118 O ARG A 372 -9.383 2.441 -1.165 1.00 0.00 O ATOM 119 CB ARG A 372 -10.776 -0.630 -1.617 1.00 0.00 C ATOM 120 CG ARG A 372 -11.979 0.301 -1.492 1.00 0.00 C ATOM 121 CD ARG A 372 -12.774 0.361 -2.786 1.00 0.00 C ATOM 122 NE ARG A 372 -13.858 1.340 -2.718 1.00 0.00 N ATOM 123 CZ ARG A 372 -14.965 1.261 -3.450 1.00 0.00 C ATOM 124 NH1 ARG A 372 -15.123 0.261 -4.305 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.913 2.181 -3.330 1.00 0.00 N ATOM 0 H ARG A 372 -8.550 -1.630 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.344 0.484 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.906 -1.262 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.746 -1.291 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.624 -0.043 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.640 1.302 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -12.107 0.615 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -13.188 -0.624 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 372 -13.760 2.125 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -14.396 -0.448 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -15.972 0.200 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -15.794 2.953 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -16.761 2.116 -3.894 1.00 0.00 H new ATOM 139 N GLN A 373 -9.433 0.969 0.535 1.00 0.00 N ATOM 140 CA GLN A 373 -9.414 1.998 1.563 1.00 0.00 C ATOM 141 C GLN A 373 -8.194 2.899 1.393 1.00 0.00 C ATOM 142 O GLN A 373 -8.309 4.118 1.339 1.00 0.00 O ATOM 143 CB GLN A 373 -9.424 1.340 2.942 1.00 0.00 C ATOM 144 CG GLN A 373 -9.654 2.312 4.080 1.00 0.00 C ATOM 145 CD GLN A 373 -10.902 1.992 4.880 1.00 0.00 C ATOM 146 OE1 GLN A 373 -12.006 1.945 4.337 1.00 0.00 O ATOM 147 NE2 GLN A 373 -10.733 1.767 6.178 1.00 0.00 N ATOM 0 H GLN A 373 -9.460 0.014 0.892 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.303 2.622 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.202 0.577 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.473 0.830 3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.789 2.300 4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.734 3.322 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -9.800 1.816 6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -11.536 1.545 6.766 1.00 0.00 H new ATOM 156 N LEU A 374 -7.037 2.271 1.273 1.00 0.00 N ATOM 157 CA LEU A 374 -5.788 2.985 1.065 1.00 0.00 C ATOM 158 C LEU A 374 -5.925 3.891 -0.158 1.00 0.00 C ATOM 159 O LEU A 374 -5.826 5.115 -0.051 1.00 0.00 O ATOM 160 CB LEU A 374 -4.631 1.993 0.883 1.00 0.00 C ATOM 161 CG LEU A 374 -3.225 2.590 1.025 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.692 3.049 -0.318 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.229 3.742 2.016 1.00 0.00 C ATOM 0 H LEU A 374 -6.936 1.257 1.317 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.568 3.598 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.743 1.192 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.716 1.538 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.565 1.809 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.694 3.468 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.644 2.200 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.354 3.809 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.222 4.151 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.908 4.520 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.559 3.382 2.991 1.00 0.00 H new ATOM 175 N TYR A 375 -6.159 3.283 -1.323 1.00 0.00 N ATOM 176 CA TYR A 375 -6.316 4.047 -2.566 1.00 0.00 C ATOM 177 C TYR A 375 -7.203 5.253 -2.326 1.00 0.00 C ATOM 178 O TYR A 375 -7.005 6.324 -2.898 1.00 0.00 O ATOM 179 CB TYR A 375 -6.923 3.193 -3.679 1.00 0.00 C ATOM 180 CG TYR A 375 -6.485 3.607 -5.067 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.179 4.014 -5.310 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.376 3.589 -6.133 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.774 4.392 -6.575 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.977 3.966 -7.402 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.676 4.366 -7.617 1.00 0.00 C ATOM 186 OH TYR A 375 -5.275 4.742 -8.878 1.00 0.00 O ATOM 0 H TYR A 375 -6.244 2.273 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.323 4.369 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.649 2.151 -3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -8.010 3.250 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.469 4.035 -4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.396 3.276 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.755 4.707 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.681 3.947 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.030 4.666 -9.498 1.00 0.00 H new ATOM 196 N SER A 376 -8.175 5.066 -1.457 1.00 0.00 N ATOM 197 CA SER A 376 -9.093 6.138 -1.108 1.00 0.00 C ATOM 198 C SER A 376 -8.383 7.142 -0.204 1.00 0.00 C ATOM 199 O SER A 376 -8.437 8.352 -0.424 1.00 0.00 O ATOM 200 CB SER A 376 -10.333 5.572 -0.411 1.00 0.00 C ATOM 201 OG SER A 376 -10.950 6.555 0.401 1.00 0.00 O ATOM 0 H SER A 376 -8.352 4.183 -0.978 1.00 0.00 H new ATOM 0 HA SER A 376 -9.416 6.644 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 376 -11.042 5.213 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 376 -10.052 4.714 0.200 1.00 0.00 H new ATOM 0 HG SER A 376 -11.741 6.172 0.835 1.00 0.00 H new ATOM 207 N LEU A 377 -7.717 6.612 0.815 1.00 0.00 N ATOM 208 CA LEU A 377 -6.985 7.416 1.775 1.00 0.00 C ATOM 209 C LEU A 377 -5.845 8.170 1.104 1.00 0.00 C ATOM 210 O LEU A 377 -5.823 9.400 1.096 1.00 0.00 O ATOM 211 CB LEU A 377 -6.447 6.516 2.890 1.00 0.00 C ATOM 212 CG LEU A 377 -7.423 6.282 4.045 1.00 0.00 C ATOM 213 CD1 LEU A 377 -8.559 5.376 3.602 1.00 0.00 C ATOM 214 CD2 LEU A 377 -6.706 5.684 5.245 1.00 0.00 C ATOM 0 H LEU A 377 -7.672 5.609 0.996 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.664 8.154 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.174 5.552 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.533 6.958 3.287 1.00 0.00 H new ATOM 0 HG LEU A 377 -7.839 7.245 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.245 5.219 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -9.094 5.841 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -8.155 4.417 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.420 5.526 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.260 4.730 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -5.924 6.366 5.579 1.00 0.00 H new ATOM 226 N ILE A 378 -4.890 7.429 0.554 1.00 0.00 N ATOM 227 CA ILE A 378 -3.737 8.038 -0.100 1.00 0.00 C ATOM 228 C ILE A 378 -3.830 7.965 -1.626 1.00 0.00 C ATOM 229 O ILE A 378 -3.519 8.937 -2.314 1.00 0.00 O ATOM 230 CB ILE A 378 -2.456 7.313 0.341 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.205 7.535 1.830 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.270 7.763 -0.488 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.181 6.587 2.409 1.00 0.00 C ATOM 0 H ILE A 378 -4.891 6.409 0.548 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.717 9.088 0.193 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.589 6.244 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.871 8.561 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.144 7.420 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.375 7.236 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.455 7.540 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -1.126 8.836 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -1.049 6.798 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.524 5.560 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.230 6.718 1.892 1.00 0.00 H new ATOM 245 N GLY A 379 -4.226 6.800 -2.139 1.00 0.00 N ATOM 246 CA GLY A 379 -4.323 6.588 -3.579 1.00 0.00 C ATOM 247 C GLY A 379 -4.438 7.866 -4.386 1.00 0.00 C ATOM 248 O GLY A 379 -5.167 8.787 -4.017 1.00 0.00 O ATOM 0 H GLY A 379 -4.484 5.989 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.444 6.037 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -5.190 5.961 -3.786 1.00 0.00 H new ATOM 252 N TYR A 380 -3.706 7.913 -5.494 1.00 0.00 N ATOM 253 CA TYR A 380 -3.706 9.072 -6.376 1.00 0.00 C ATOM 254 C TYR A 380 -2.886 8.790 -7.631 1.00 0.00 C ATOM 255 O TYR A 380 -1.746 8.334 -7.549 1.00 0.00 O ATOM 256 CB TYR A 380 -3.138 10.293 -5.652 1.00 0.00 C ATOM 257 CG TYR A 380 -4.169 11.060 -4.858 1.00 0.00 C ATOM 258 CD1 TYR A 380 -5.325 11.536 -5.463 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.988 11.306 -3.504 1.00 0.00 C ATOM 260 CE1 TYR A 380 -6.271 12.238 -4.742 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.929 12.008 -2.775 1.00 0.00 C ATOM 262 CZ TYR A 380 -6.068 12.471 -3.397 1.00 0.00 C ATOM 263 OH TYR A 380 -7.008 13.169 -2.675 1.00 0.00 O ATOM 0 H TYR A 380 -3.100 7.153 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.736 9.278 -6.667 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -2.342 9.969 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.685 10.961 -6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.487 11.354 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -3.098 10.943 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -7.164 12.602 -5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -4.772 12.193 -1.723 1.00 0.00 H new ATOM 0 HH TYR A 380 -6.714 13.245 -1.743 1.00 0.00 H new ATOM 273 N ALA A 381 -3.472 9.064 -8.792 1.00 0.00 N ATOM 274 CA ALA A 381 -2.790 8.839 -10.061 1.00 0.00 C ATOM 275 C ALA A 381 -1.356 9.357 -10.009 1.00 0.00 C ATOM 276 O ALA A 381 -0.491 8.895 -10.756 1.00 0.00 O ATOM 277 CB ALA A 381 -3.543 9.496 -11.209 1.00 0.00 C ATOM 0 H ALA A 381 -4.416 9.441 -8.880 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.764 7.763 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -3.013 9.313 -12.144 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.547 9.076 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.609 10.570 -11.034 1.00 0.00 H new ATOM 283 N SER A 382 -1.110 10.322 -9.128 1.00 0.00 N ATOM 284 CA SER A 382 0.219 10.905 -8.983 1.00 0.00 C ATOM 285 C SER A 382 1.090 10.075 -8.044 1.00 0.00 C ATOM 286 O SER A 382 2.301 9.973 -8.236 1.00 0.00 O ATOM 287 CB SER A 382 0.112 12.339 -8.459 1.00 0.00 C ATOM 288 OG SER A 382 1.392 12.872 -8.167 1.00 0.00 O ATOM 0 H SER A 382 -1.814 10.717 -8.504 1.00 0.00 H new ATOM 0 HA SER A 382 0.689 10.913 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 382 -0.385 12.964 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 382 -0.506 12.356 -7.561 1.00 0.00 H new ATOM 0 HG SER A 382 1.297 13.789 -7.835 1.00 0.00 H new ATOM 294 N LEU A 383 0.469 9.490 -7.024 1.00 0.00 N ATOM 295 CA LEU A 383 1.197 8.679 -6.055 1.00 0.00 C ATOM 296 C LEU A 383 1.536 7.307 -6.623 1.00 0.00 C ATOM 297 O LEU A 383 2.362 6.586 -6.067 1.00 0.00 O ATOM 298 CB LEU A 383 0.361 8.504 -4.791 1.00 0.00 C ATOM 299 CG LEU A 383 0.326 9.706 -3.852 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.171 9.238 -2.418 1.00 0.00 C ATOM 301 CD2 LEU A 383 1.583 10.551 -4.002 1.00 0.00 C ATOM 0 H LEU A 383 -0.533 9.562 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 383 2.127 9.197 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -0.661 8.264 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.744 7.646 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 383 -0.530 10.327 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.147 10.102 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.758 8.677 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 383 1.012 8.599 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 383 1.533 11.401 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 383 2.458 9.947 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 383 1.659 10.911 -5.028 1.00 0.00 H new ATOM 313 N ARG A 384 0.896 6.962 -7.731 1.00 0.00 N ATOM 314 CA ARG A 384 1.122 5.678 -8.384 1.00 0.00 C ATOM 315 C ARG A 384 1.502 4.591 -7.380 1.00 0.00 C ATOM 316 O ARG A 384 2.460 3.848 -7.596 1.00 0.00 O ATOM 317 CB ARG A 384 2.222 5.812 -9.439 1.00 0.00 C ATOM 318 CG ARG A 384 1.856 5.191 -10.776 1.00 0.00 C ATOM 319 CD ARG A 384 1.450 3.735 -10.620 1.00 0.00 C ATOM 320 NE ARG A 384 0.985 3.155 -11.878 1.00 0.00 N ATOM 321 CZ ARG A 384 -0.273 3.226 -12.301 1.00 0.00 C ATOM 322 NH1 ARG A 384 -1.186 3.854 -11.572 1.00 0.00 N ATOM 323 NH2 ARG A 384 -0.618 2.670 -13.454 1.00 0.00 N ATOM 0 H ARG A 384 0.212 7.556 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 384 0.188 5.383 -8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.446 6.868 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.132 5.342 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 384 1.038 5.752 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 384 2.705 5.263 -11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 384 2.299 3.161 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 384 0.661 3.658 -9.872 1.00 0.00 H new ATOM 0 HE ARG A 384 1.664 2.669 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -0.923 4.284 -10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -2.151 3.907 -11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 384 0.082 2.187 -14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -1.584 2.725 -13.778 1.00 0.00 H new ATOM 337 N LEU A 385 0.743 4.486 -6.288 1.00 0.00 N ATOM 338 CA LEU A 385 1.018 3.471 -5.279 1.00 0.00 C ATOM 339 C LEU A 385 0.848 2.086 -5.890 1.00 0.00 C ATOM 340 O LEU A 385 0.014 1.891 -6.774 1.00 0.00 O ATOM 341 CB LEU A 385 0.104 3.655 -4.062 1.00 0.00 C ATOM 342 CG LEU A 385 -1.344 4.026 -4.372 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.906 3.145 -5.475 1.00 0.00 C ATOM 344 CD2 LEU A 385 -2.183 3.904 -3.114 1.00 0.00 C ATOM 0 H LEU A 385 -0.057 5.085 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 385 2.047 3.577 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.107 2.730 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.530 4.430 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.373 5.058 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.939 3.429 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.311 3.271 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.872 2.102 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.216 4.169 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -2.143 2.878 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.793 4.577 -2.350 1.00 0.00 H new ATOM 356 N HIS A 386 1.648 1.126 -5.433 1.00 0.00 N ATOM 357 CA HIS A 386 1.577 -0.231 -5.964 1.00 0.00 C ATOM 358 C HIS A 386 1.987 -1.255 -4.915 1.00 0.00 C ATOM 359 O HIS A 386 2.496 -0.904 -3.851 1.00 0.00 O ATOM 360 CB HIS A 386 2.478 -0.371 -7.193 1.00 0.00 C ATOM 361 CG HIS A 386 3.946 -0.341 -6.877 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.636 -1.415 -6.339 1.00 0.00 N ATOM 363 CD2 HIS A 386 4.861 0.646 -7.035 1.00 0.00 C ATOM 364 CE1 HIS A 386 5.904 -1.084 -6.182 1.00 0.00 C ATOM 365 NE2 HIS A 386 6.068 0.158 -6.597 1.00 0.00 N ATOM 0 H HIS A 386 2.347 1.261 -4.703 1.00 0.00 H new ATOM 0 HA HIS A 386 0.542 -0.420 -6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.244 -1.308 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 386 2.250 0.434 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 386 4.676 1.633 -7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 386 6.677 -1.722 -5.781 1.00 0.00 H new ATOM 0 HE2 HIS A 386 6.949 0.672 -6.593 1.00 0.00 H new ATOM 374 N TYR A 387 1.766 -2.526 -5.230 1.00 0.00 N ATOM 375 CA TYR A 387 2.113 -3.610 -4.324 1.00 0.00 C ATOM 376 C TYR A 387 3.214 -4.473 -4.921 1.00 0.00 C ATOM 377 O TYR A 387 3.062 -5.038 -6.004 1.00 0.00 O ATOM 378 CB TYR A 387 0.877 -4.451 -4.019 1.00 0.00 C ATOM 379 CG TYR A 387 -0.349 -3.607 -3.769 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.552 -2.997 -2.540 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.291 -3.401 -4.769 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.658 -2.206 -2.310 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.404 -2.613 -4.546 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.582 -2.017 -3.315 1.00 0.00 C ATOM 385 OH TYR A 387 -3.684 -1.226 -3.091 1.00 0.00 O ATOM 0 H TYR A 387 1.347 -2.830 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 387 2.484 -3.183 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.686 -5.126 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 387 1.071 -5.072 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.169 -3.144 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.151 -3.864 -5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.799 -1.737 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.130 -2.465 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.961 -0.805 -3.932 1.00 0.00 H new ATOM 395 N VAL A 388 4.322 -4.567 -4.202 1.00 0.00 N ATOM 396 CA VAL A 388 5.457 -5.356 -4.649 1.00 0.00 C ATOM 397 C VAL A 388 5.519 -6.683 -3.906 1.00 0.00 C ATOM 398 O VAL A 388 5.397 -6.720 -2.686 1.00 0.00 O ATOM 399 CB VAL A 388 6.779 -4.595 -4.444 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.794 -3.900 -3.092 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.960 -5.537 -4.577 1.00 0.00 C ATOM 0 H VAL A 388 4.458 -4.104 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 388 5.321 -5.546 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 388 6.860 -3.832 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.737 -3.368 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.968 -3.191 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.688 -4.642 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.886 -4.982 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.884 -6.324 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.959 -5.983 -5.571 1.00 0.00 H new ATOM 411 N THR A 389 5.710 -7.768 -4.647 1.00 0.00 N ATOM 412 CA THR A 389 5.786 -9.092 -4.046 1.00 0.00 C ATOM 413 C THR A 389 7.230 -9.499 -3.778 1.00 0.00 C ATOM 414 O THR A 389 7.989 -9.787 -4.703 1.00 0.00 O ATOM 415 CB THR A 389 5.126 -10.158 -4.940 1.00 0.00 C ATOM 416 OG1 THR A 389 3.836 -9.731 -5.394 1.00 0.00 O ATOM 417 CG2 THR A 389 4.964 -11.471 -4.188 1.00 0.00 C ATOM 0 H THR A 389 5.815 -7.756 -5.662 1.00 0.00 H new ATOM 0 HA THR A 389 5.246 -9.034 -3.101 1.00 0.00 H new ATOM 0 HB THR A 389 5.781 -10.302 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.650 -10.128 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.496 -12.208 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.943 -11.834 -3.874 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.337 -11.313 -3.310 1.00 0.00 H new ATOM 425 N VAL A 390 7.599 -9.532 -2.502 1.00 0.00 N ATOM 426 CA VAL A 390 8.952 -9.919 -2.110 1.00 0.00 C ATOM 427 C VAL A 390 9.051 -11.431 -1.987 1.00 0.00 C ATOM 428 O VAL A 390 10.064 -12.031 -2.344 1.00 0.00 O ATOM 429 CB VAL A 390 9.388 -9.278 -0.773 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.609 -8.395 -0.977 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.254 -8.484 -0.146 1.00 0.00 C ATOM 0 H VAL A 390 6.984 -9.297 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 390 9.620 -9.556 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 390 9.651 -10.083 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.901 -7.952 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.431 -8.996 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.371 -7.603 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.592 -8.046 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 390 7.946 -7.690 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.409 -9.146 0.046 1.00 0.00 H new ATOM 441 N LYS A 391 7.983 -12.042 -1.487 1.00 0.00 N ATOM 442 CA LYS A 391 7.938 -13.490 -1.325 1.00 0.00 C ATOM 443 C LYS A 391 6.533 -14.021 -1.602 1.00 0.00 C ATOM 444 O LYS A 391 5.550 -13.287 -1.510 1.00 0.00 O ATOM 445 CB LYS A 391 8.425 -13.891 0.082 1.00 0.00 C ATOM 446 CG LYS A 391 7.358 -14.472 1.003 1.00 0.00 C ATOM 447 CD LYS A 391 7.970 -15.399 2.042 1.00 0.00 C ATOM 448 CE LYS A 391 8.273 -16.769 1.455 1.00 0.00 C ATOM 449 NZ LYS A 391 9.344 -17.472 2.214 1.00 0.00 N ATOM 0 H LYS A 391 7.137 -11.557 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 391 8.611 -13.943 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.226 -14.622 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.856 -13.013 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.826 -13.663 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.623 -15.019 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.888 -14.957 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.286 -15.506 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.367 -17.375 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.578 -16.659 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.522 -18.402 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 10.216 -16.906 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 9.043 -17.600 3.201 1.00 0.00 H new ATOM 463 N LYS A 392 6.454 -15.302 -1.939 1.00 0.00 N ATOM 464 CA LYS A 392 5.178 -15.945 -2.229 1.00 0.00 C ATOM 465 C LYS A 392 5.140 -17.344 -1.629 1.00 0.00 C ATOM 466 O LYS A 392 6.163 -17.869 -1.189 1.00 0.00 O ATOM 467 CB LYS A 392 4.949 -16.027 -3.741 1.00 0.00 C ATOM 468 CG LYS A 392 6.029 -15.342 -4.561 1.00 0.00 C ATOM 469 CD LYS A 392 7.241 -16.240 -4.746 1.00 0.00 C ATOM 470 CE LYS A 392 7.945 -15.960 -6.063 1.00 0.00 C ATOM 471 NZ LYS A 392 7.103 -16.334 -7.233 1.00 0.00 N ATOM 0 H LYS A 392 7.262 -15.919 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 392 4.385 -15.344 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.893 -17.075 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.985 -15.577 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.627 -15.066 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.331 -14.418 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.937 -16.089 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.930 -17.284 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 392 8.198 -14.901 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 392 8.883 -16.514 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 7.715 -16.553 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 6.530 -17.169 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.475 -15.541 -7.476 1.00 0.00 H new ATOM 485 N PRO A 393 3.957 -17.974 -1.609 1.00 0.00 N ATOM 486 CA PRO A 393 3.797 -19.323 -1.067 1.00 0.00 C ATOM 487 C PRO A 393 4.741 -20.309 -1.743 1.00 0.00 C ATOM 488 O PRO A 393 4.844 -20.343 -2.970 1.00 0.00 O ATOM 489 CB PRO A 393 2.335 -19.677 -1.373 1.00 0.00 C ATOM 490 CG PRO A 393 1.882 -18.668 -2.376 1.00 0.00 C ATOM 491 CD PRO A 393 2.693 -17.430 -2.119 1.00 0.00 C ATOM 0 HA PRO A 393 4.031 -19.370 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.251 -20.689 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.724 -19.636 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.038 -19.032 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.816 -18.465 -2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.840 -16.846 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.212 -16.774 -1.393 1.00 0.00 H new ATOM 499 N THR A 394 5.435 -21.103 -0.938 1.00 0.00 N ATOM 500 CA THR A 394 6.378 -22.081 -1.463 1.00 0.00 C ATOM 501 C THR A 394 6.399 -23.342 -0.608 1.00 0.00 C ATOM 502 O THR A 394 6.130 -23.295 0.593 1.00 0.00 O ATOM 503 CB THR A 394 7.799 -21.495 -1.533 1.00 0.00 C ATOM 504 OG1 THR A 394 8.347 -21.297 -0.225 1.00 0.00 O ATOM 505 CG2 THR A 394 7.798 -20.158 -2.260 1.00 0.00 C ATOM 0 H THR A 394 5.363 -21.089 0.079 1.00 0.00 H new ATOM 0 HA THR A 394 6.045 -22.339 -2.468 1.00 0.00 H new ATOM 0 HB THR A 394 8.411 -22.214 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 394 7.654 -20.941 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.813 -19.763 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.425 -20.296 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.155 -19.456 -1.729 1.00 0.00 H new ATOM 513 N ALA A 395 6.722 -24.468 -1.234 1.00 0.00 N ATOM 514 CA ALA A 395 6.782 -25.740 -0.527 1.00 0.00 C ATOM 515 C ALA A 395 7.480 -25.577 0.815 1.00 0.00 C ATOM 516 O ALA A 395 6.995 -26.051 1.842 1.00 0.00 O ATOM 517 CB ALA A 395 7.490 -26.794 -1.365 1.00 0.00 C ATOM 0 H ALA A 395 6.946 -24.525 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 395 5.760 -26.073 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.522 -27.735 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.949 -26.939 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.507 -26.465 -1.581 1.00 0.00 H new ATOM 523 N VAL A 396 8.617 -24.898 0.796 1.00 0.00 N ATOM 524 CA VAL A 396 9.388 -24.659 2.004 1.00 0.00 C ATOM 525 C VAL A 396 8.646 -23.719 2.946 1.00 0.00 C ATOM 526 O VAL A 396 8.638 -23.913 4.161 1.00 0.00 O ATOM 527 CB VAL A 396 10.766 -24.056 1.666 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.347 -24.714 0.425 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.662 -22.547 1.477 1.00 0.00 C ATOM 0 H VAL A 396 9.027 -24.501 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 396 9.529 -25.621 2.497 1.00 0.00 H new ATOM 0 HB VAL A 396 11.438 -24.248 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.320 -24.275 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.463 -25.783 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.676 -24.556 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.645 -22.141 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.973 -22.329 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.293 -22.090 2.395 1.00 0.00 H new ATOM 539 N ASP A 397 8.031 -22.692 2.369 1.00 0.00 N ATOM 540 CA ASP A 397 7.291 -21.710 3.146 1.00 0.00 C ATOM 541 C ASP A 397 6.100 -21.172 2.358 1.00 0.00 C ATOM 542 O ASP A 397 6.267 -20.429 1.391 1.00 0.00 O ATOM 543 CB ASP A 397 8.206 -20.554 3.553 1.00 0.00 C ATOM 544 CG ASP A 397 8.558 -20.587 5.027 1.00 0.00 C ATOM 545 OD1 ASP A 397 7.771 -21.156 5.813 1.00 0.00 O ATOM 546 OD2 ASP A 397 9.621 -20.044 5.396 1.00 0.00 O ATOM 0 H ASP A 397 8.032 -22.520 1.364 1.00 0.00 H new ATOM 0 HA ASP A 397 6.918 -22.205 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 397 9.121 -20.594 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.717 -19.608 3.320 1.00 0.00 H new ATOM 551 N PRO A 398 4.878 -21.544 2.766 1.00 0.00 N ATOM 552 CA PRO A 398 3.652 -21.101 2.102 1.00 0.00 C ATOM 553 C PRO A 398 3.247 -19.686 2.507 1.00 0.00 C ATOM 554 O PRO A 398 2.081 -19.427 2.805 1.00 0.00 O ATOM 555 CB PRO A 398 2.619 -22.113 2.590 1.00 0.00 C ATOM 556 CG PRO A 398 3.092 -22.503 3.949 1.00 0.00 C ATOM 557 CD PRO A 398 4.599 -22.431 3.911 1.00 0.00 C ATOM 0 HA PRO A 398 3.761 -21.060 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.621 -21.675 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.564 -22.976 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.690 -21.832 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.757 -23.509 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 398 5.004 -22.027 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.044 -23.416 3.772 1.00 0.00 H new ATOM 565 N ASN A 399 4.217 -18.776 2.521 1.00 0.00 N ATOM 566 CA ASN A 399 3.955 -17.390 2.896 1.00 0.00 C ATOM 567 C ASN A 399 4.323 -16.430 1.768 1.00 0.00 C ATOM 568 O ASN A 399 5.096 -16.772 0.874 1.00 0.00 O ATOM 569 CB ASN A 399 4.735 -17.026 4.160 1.00 0.00 C ATOM 570 CG ASN A 399 4.653 -18.104 5.223 1.00 0.00 C ATOM 571 OD1 ASN A 399 5.591 -18.878 5.411 1.00 0.00 O ATOM 572 ND2 ASN A 399 3.527 -18.157 5.925 1.00 0.00 N ATOM 0 H ASN A 399 5.188 -18.972 2.278 1.00 0.00 H new ATOM 0 HA ASN A 399 2.887 -17.295 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.780 -16.854 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.349 -16.091 4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 399 3.414 -18.860 6.655 1.00 0.00 H new ATOM 0 HD22 ASN A 399 2.775 -17.494 5.734 1.00 0.00 H new ATOM 579 N SER A 400 3.765 -15.223 1.825 1.00 0.00 N ATOM 580 CA SER A 400 4.029 -14.199 0.822 1.00 0.00 C ATOM 581 C SER A 400 4.273 -12.851 1.492 1.00 0.00 C ATOM 582 O SER A 400 3.703 -12.562 2.545 1.00 0.00 O ATOM 583 CB SER A 400 2.847 -14.080 -0.146 1.00 0.00 C ATOM 584 OG SER A 400 3.224 -13.402 -1.332 1.00 0.00 O ATOM 0 H SER A 400 3.123 -14.931 2.562 1.00 0.00 H new ATOM 0 HA SER A 400 4.919 -14.490 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.475 -15.074 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 400 2.029 -13.546 0.338 1.00 0.00 H new ATOM 0 HG SER A 400 4.156 -13.108 -1.259 1.00 0.00 H new ATOM 590 N ILE A 401 5.108 -12.024 0.877 1.00 0.00 N ATOM 591 CA ILE A 401 5.404 -10.705 1.419 1.00 0.00 C ATOM 592 C ILE A 401 5.068 -9.619 0.407 1.00 0.00 C ATOM 593 O ILE A 401 5.168 -9.829 -0.802 1.00 0.00 O ATOM 594 CB ILE A 401 6.880 -10.564 1.836 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.233 -11.587 2.915 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.155 -9.155 2.338 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.648 -12.108 2.805 1.00 0.00 C ATOM 0 H ILE A 401 5.591 -12.242 0.005 1.00 0.00 H new ATOM 0 HA ILE A 401 4.784 -10.588 2.308 1.00 0.00 H new ATOM 0 HB ILE A 401 7.504 -10.753 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 401 7.096 -11.132 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.539 -12.425 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.202 -9.070 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.939 -8.438 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.521 -8.945 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.833 -12.830 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.783 -12.592 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.349 -11.279 2.897 1.00 0.00 H new ATOM 609 N VAL A 402 4.678 -8.456 0.909 1.00 0.00 N ATOM 610 CA VAL A 402 4.341 -7.341 0.038 1.00 0.00 C ATOM 611 C VAL A 402 4.710 -5.996 0.650 1.00 0.00 C ATOM 612 O VAL A 402 4.643 -5.806 1.864 1.00 0.00 O ATOM 613 CB VAL A 402 2.847 -7.344 -0.339 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.454 -6.031 -1.002 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.532 -8.520 -1.251 1.00 0.00 C ATOM 0 H VAL A 402 4.588 -8.261 1.906 1.00 0.00 H new ATOM 0 HA VAL A 402 4.934 -7.478 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 402 2.263 -7.450 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.395 -6.056 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.641 -5.206 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.044 -5.890 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.473 -8.508 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.127 -8.444 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.770 -9.452 -0.738 1.00 0.00 H new ATOM 625 N GLU A 403 5.088 -5.066 -0.216 1.00 0.00 N ATOM 626 CA GLU A 403 5.459 -3.719 0.200 1.00 0.00 C ATOM 627 C GLU A 403 4.740 -2.688 -0.664 1.00 0.00 C ATOM 628 O GLU A 403 4.987 -2.594 -1.864 1.00 0.00 O ATOM 629 CB GLU A 403 6.974 -3.525 0.097 1.00 0.00 C ATOM 630 CG GLU A 403 7.759 -4.827 0.101 1.00 0.00 C ATOM 631 CD GLU A 403 9.134 -4.679 -0.522 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.913 -3.828 -0.046 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.430 -5.415 -1.487 1.00 0.00 O ATOM 0 H GLU A 403 5.146 -5.222 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 403 5.161 -3.582 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.200 -2.978 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.310 -2.906 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.865 -5.180 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.198 -5.587 -0.442 1.00 0.00 H new ATOM 640 N CYS A 404 3.836 -1.925 -0.061 1.00 0.00 N ATOM 641 CA CYS A 404 3.086 -0.930 -0.811 1.00 0.00 C ATOM 642 C CYS A 404 3.933 0.301 -1.111 1.00 0.00 C ATOM 643 O CYS A 404 4.051 1.199 -0.278 1.00 0.00 O ATOM 644 CB CYS A 404 1.860 -0.505 -0.005 1.00 0.00 C ATOM 645 SG CYS A 404 0.678 -1.836 0.314 1.00 0.00 S ATOM 0 H CYS A 404 3.608 -1.976 0.932 1.00 0.00 H new ATOM 0 HA CYS A 404 2.785 -1.379 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.192 -0.094 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.350 0.297 -0.538 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.141 -1.938 -0.690 1.00 0.00 H new ATOM 651 N ARG A 405 4.526 0.341 -2.302 1.00 0.00 N ATOM 652 CA ARG A 405 5.362 1.468 -2.694 1.00 0.00 C ATOM 653 C ARG A 405 4.536 2.537 -3.396 1.00 0.00 C ATOM 654 O ARG A 405 3.312 2.439 -3.478 1.00 0.00 O ATOM 655 CB ARG A 405 6.498 1.013 -3.615 1.00 0.00 C ATOM 656 CG ARG A 405 6.920 -0.435 -3.415 1.00 0.00 C ATOM 657 CD ARG A 405 7.568 -0.644 -2.057 1.00 0.00 C ATOM 658 NE ARG A 405 8.746 -1.503 -2.143 1.00 0.00 N ATOM 659 CZ ARG A 405 9.801 -1.233 -2.905 1.00 0.00 C ATOM 660 NH1 ARG A 405 9.828 -0.128 -3.638 1.00 0.00 N ATOM 661 NH2 ARG A 405 10.830 -2.069 -2.936 1.00 0.00 N ATOM 0 H ARG A 405 4.443 -0.391 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 405 5.791 1.890 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.188 1.150 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.362 1.657 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.050 -1.085 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 405 7.618 -0.723 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 405 7.852 0.321 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 405 6.844 -1.088 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 405 8.760 -2.358 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 405 9.038 0.517 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 405 10.639 0.077 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 405 10.812 -2.920 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 405 11.639 -1.861 -3.521 1.00 0.00 H new ATOM 675 N VAL A 406 5.216 3.559 -3.900 1.00 0.00 N ATOM 676 CA VAL A 406 4.545 4.649 -4.594 1.00 0.00 C ATOM 677 C VAL A 406 5.458 5.291 -5.635 1.00 0.00 C ATOM 678 O VAL A 406 6.664 5.048 -5.651 1.00 0.00 O ATOM 679 CB VAL A 406 4.051 5.725 -3.607 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.541 5.643 -3.456 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.734 5.574 -2.253 1.00 0.00 C ATOM 0 H VAL A 406 6.230 3.655 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 406 3.683 4.217 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 406 4.310 6.705 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.203 6.408 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.069 5.804 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.266 4.658 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.369 6.344 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.510 4.590 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.812 5.679 -2.376 1.00 0.00 H new ATOM 691 N GLY A 407 4.869 6.102 -6.511 1.00 0.00 N ATOM 692 CA GLY A 407 5.640 6.760 -7.552 1.00 0.00 C ATOM 693 C GLY A 407 6.932 7.361 -7.035 1.00 0.00 C ATOM 694 O GLY A 407 7.957 7.322 -7.714 1.00 0.00 O ATOM 0 H GLY A 407 3.872 6.315 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 407 5.868 6.041 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.035 7.545 -8.005 1.00 0.00 H new ATOM 698 N ASP A 408 6.882 7.918 -5.831 1.00 0.00 N ATOM 699 CA ASP A 408 8.057 8.529 -5.222 1.00 0.00 C ATOM 700 C ASP A 408 9.088 7.470 -4.845 1.00 0.00 C ATOM 701 O ASP A 408 10.200 7.792 -4.426 1.00 0.00 O ATOM 702 CB ASP A 408 7.656 9.324 -3.979 1.00 0.00 C ATOM 703 CG ASP A 408 7.210 10.734 -4.310 1.00 0.00 C ATOM 704 OD1 ASP A 408 7.689 11.287 -5.323 1.00 0.00 O ATOM 705 OD2 ASP A 408 6.382 11.286 -3.556 1.00 0.00 O ATOM 0 H ASP A 408 6.040 7.959 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 408 8.503 9.204 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.849 8.803 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.500 9.366 -3.291 1.00 0.00 H new ATOM 710 N GLY A 409 8.710 6.204 -4.993 1.00 0.00 N ATOM 711 CA GLY A 409 9.610 5.117 -4.661 1.00 0.00 C ATOM 712 C GLY A 409 9.821 4.978 -3.166 1.00 0.00 C ATOM 713 O GLY A 409 10.818 4.408 -2.724 1.00 0.00 O ATOM 0 H GLY A 409 7.795 5.912 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.210 4.184 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 409 10.571 5.283 -5.147 1.00 0.00 H new ATOM 717 N THR A 410 8.882 5.505 -2.383 1.00 0.00 N ATOM 718 CA THR A 410 8.975 5.438 -0.930 1.00 0.00 C ATOM 719 C THR A 410 8.066 4.353 -0.365 1.00 0.00 C ATOM 720 O THR A 410 6.843 4.443 -0.465 1.00 0.00 O ATOM 721 CB THR A 410 8.609 6.785 -0.280 1.00 0.00 C ATOM 722 OG1 THR A 410 9.589 7.790 -0.567 1.00 0.00 O ATOM 723 CG2 THR A 410 8.494 6.643 1.230 1.00 0.00 C ATOM 0 H THR A 410 8.050 5.982 -2.731 1.00 0.00 H new ATOM 0 HA THR A 410 10.012 5.197 -0.694 1.00 0.00 H new ATOM 0 HB THR A 410 7.650 7.087 -0.700 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.327 8.633 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 410 8.235 7.607 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 410 7.718 5.916 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 410 9.447 6.304 1.637 1.00 0.00 H new ATOM 731 N VAL A 411 8.665 3.334 0.240 1.00 0.00 N ATOM 732 CA VAL A 411 7.896 2.246 0.830 1.00 0.00 C ATOM 733 C VAL A 411 6.898 2.796 1.841 1.00 0.00 C ATOM 734 O VAL A 411 7.257 3.101 2.980 1.00 0.00 O ATOM 735 CB VAL A 411 8.811 1.217 1.527 1.00 0.00 C ATOM 736 CG1 VAL A 411 8.030 -0.038 1.884 1.00 0.00 C ATOM 737 CG2 VAL A 411 10.002 0.877 0.644 1.00 0.00 C ATOM 0 H VAL A 411 9.676 3.239 0.335 1.00 0.00 H new ATOM 0 HA VAL A 411 7.366 1.744 0.021 1.00 0.00 H new ATOM 0 HB VAL A 411 9.186 1.659 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 411 8.692 -0.751 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 411 7.213 0.221 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 411 7.624 -0.484 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 411 10.636 0.150 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 411 9.649 0.455 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.576 1.782 0.443 1.00 0.00 H new ATOM 747 N LEU A 412 5.643 2.933 1.421 1.00 0.00 N ATOM 748 CA LEU A 412 4.605 3.456 2.284 1.00 0.00 C ATOM 749 C LEU A 412 4.083 2.362 3.202 1.00 0.00 C ATOM 750 O LEU A 412 3.894 2.582 4.398 1.00 0.00 O ATOM 751 CB LEU A 412 3.484 4.063 1.428 1.00 0.00 C ATOM 752 CG LEU A 412 2.053 3.674 1.803 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.548 4.523 2.958 1.00 0.00 C ATOM 754 CD2 LEU A 412 1.140 3.831 0.598 1.00 0.00 C ATOM 0 H LEU A 412 5.326 2.686 0.483 1.00 0.00 H new ATOM 0 HA LEU A 412 5.015 4.244 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 412 3.567 5.149 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.654 3.777 0.390 1.00 0.00 H new ATOM 0 HG LEU A 412 2.050 2.631 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 412 0.529 4.229 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 412 2.191 4.376 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 412 1.562 5.574 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 412 0.123 3.552 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.154 4.868 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 412 1.488 3.185 -0.208 1.00 0.00 H new ATOM 766 N GLY A 413 3.846 1.180 2.639 1.00 0.00 N ATOM 767 CA GLY A 413 3.339 0.082 3.438 1.00 0.00 C ATOM 768 C GLY A 413 4.062 -1.229 3.219 1.00 0.00 C ATOM 769 O GLY A 413 4.909 -1.353 2.333 1.00 0.00 O ATOM 0 H GLY A 413 3.995 0.966 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.409 0.351 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.281 -0.057 3.215 1.00 0.00 H new ATOM 773 N THR A 414 3.703 -2.207 4.039 1.00 0.00 N ATOM 774 CA THR A 414 4.280 -3.541 3.977 1.00 0.00 C ATOM 775 C THR A 414 3.357 -4.525 4.683 1.00 0.00 C ATOM 776 O THR A 414 2.710 -4.174 5.671 1.00 0.00 O ATOM 777 CB THR A 414 5.671 -3.591 4.636 1.00 0.00 C ATOM 778 OG1 THR A 414 6.569 -2.649 4.037 1.00 0.00 O ATOM 779 CG2 THR A 414 6.279 -4.980 4.514 1.00 0.00 C ATOM 0 H THR A 414 3.000 -2.096 4.769 1.00 0.00 H new ATOM 0 HA THR A 414 4.392 -3.809 2.926 1.00 0.00 H new ATOM 0 HB THR A 414 5.531 -3.338 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.442 -2.704 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.261 -4.990 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.631 -5.705 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.381 -5.241 3.461 1.00 0.00 H new ATOM 787 N GLY A 415 3.285 -5.751 4.182 1.00 0.00 N ATOM 788 CA GLY A 415 2.420 -6.735 4.799 1.00 0.00 C ATOM 789 C GLY A 415 2.683 -8.142 4.308 1.00 0.00 C ATOM 790 O GLY A 415 3.073 -8.348 3.158 1.00 0.00 O ATOM 0 H GLY A 415 3.805 -6.079 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.554 -6.702 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.381 -6.474 4.599 1.00 0.00 H new ATOM 794 N VAL A 416 2.458 -9.113 5.183 1.00 0.00 N ATOM 795 CA VAL A 416 2.659 -10.512 4.848 1.00 0.00 C ATOM 796 C VAL A 416 1.323 -11.247 4.843 1.00 0.00 C ATOM 797 O VAL A 416 0.449 -10.973 5.666 1.00 0.00 O ATOM 798 CB VAL A 416 3.641 -11.187 5.838 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.305 -12.657 6.054 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.073 -11.035 5.347 1.00 0.00 C ATOM 0 H VAL A 416 2.134 -8.953 6.137 1.00 0.00 H new ATOM 0 HA VAL A 416 3.097 -10.564 3.851 1.00 0.00 H new ATOM 0 HB VAL A 416 3.539 -10.684 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.017 -13.094 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.297 -12.744 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.360 -13.186 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.752 -11.514 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.174 -11.506 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.320 -9.976 5.267 1.00 0.00 H new ATOM 810 N GLY A 417 1.172 -12.185 3.917 1.00 0.00 N ATOM 811 CA GLY A 417 -0.058 -12.944 3.833 1.00 0.00 C ATOM 812 C GLY A 417 0.134 -14.258 3.108 1.00 0.00 C ATOM 813 O GLY A 417 1.095 -14.424 2.357 1.00 0.00 O ATOM 0 H GLY A 417 1.879 -12.433 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.435 -13.136 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.814 -12.353 3.317 1.00 0.00 H new ATOM 817 N ARG A 418 -0.781 -15.195 3.324 1.00 0.00 N ATOM 818 CA ARG A 418 -0.695 -16.493 2.672 1.00 0.00 C ATOM 819 C ARG A 418 -0.294 -16.315 1.217 1.00 0.00 C ATOM 820 O ARG A 418 0.564 -17.031 0.700 1.00 0.00 O ATOM 821 CB ARG A 418 -2.032 -17.221 2.759 1.00 0.00 C ATOM 822 CG ARG A 418 -3.203 -16.388 2.273 1.00 0.00 C ATOM 823 CD ARG A 418 -4.460 -16.661 3.085 1.00 0.00 C ATOM 824 NE ARG A 418 -5.254 -17.746 2.515 1.00 0.00 N ATOM 825 CZ ARG A 418 -5.095 -19.027 2.834 1.00 0.00 C ATOM 826 NH1 ARG A 418 -4.173 -19.387 3.716 1.00 0.00 N ATOM 827 NH2 ARG A 418 -5.861 -19.952 2.271 1.00 0.00 N ATOM 0 H ARG A 418 -1.585 -15.081 3.941 1.00 0.00 H new ATOM 0 HA ARG A 418 0.061 -17.091 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -1.978 -18.137 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.210 -17.517 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.950 -15.330 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.394 -16.606 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.183 -16.913 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.065 -15.755 3.133 1.00 0.00 H new ATOM 0 HE ARG A 418 -5.973 -17.507 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -3.582 -18.680 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -4.055 -20.371 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -6.573 -19.681 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -5.738 -20.934 2.516 1.00 0.00 H new ATOM 841 N ASN A 419 -0.916 -15.340 0.571 1.00 0.00 N ATOM 842 CA ASN A 419 -0.632 -15.035 -0.823 1.00 0.00 C ATOM 843 C ASN A 419 -0.316 -13.553 -0.986 1.00 0.00 C ATOM 844 O ASN A 419 -0.376 -12.788 -0.023 1.00 0.00 O ATOM 845 CB ASN A 419 -1.817 -15.420 -1.709 1.00 0.00 C ATOM 846 CG ASN A 419 -1.447 -16.466 -2.740 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.474 -17.731 -2.334 1.00 0.00 O flip ATOM 848 ND2 ASN A 419 -1.140 -16.144 -3.887 1.00 0.00 N flip ATOM 0 H ASN A 419 -1.626 -14.742 0.994 1.00 0.00 H new ATOM 0 HA ASN A 419 0.236 -15.617 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.627 -15.798 -1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.193 -14.531 -2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -1.133 -15.160 -4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -0.893 -16.861 -4.569 1.00 0.00 H new ATOM 855 N ILE A 420 0.019 -13.153 -2.205 1.00 0.00 N ATOM 856 CA ILE A 420 0.342 -11.760 -2.483 1.00 0.00 C ATOM 857 C ILE A 420 -0.841 -10.851 -2.177 1.00 0.00 C ATOM 858 O ILE A 420 -0.697 -9.631 -2.113 1.00 0.00 O ATOM 859 CB ILE A 420 0.766 -11.565 -3.950 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.192 -12.073 -4.152 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.652 -10.100 -4.348 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.257 -13.470 -4.730 1.00 0.00 C ATOM 0 H ILE A 420 0.074 -13.771 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 420 1.177 -11.491 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 420 0.098 -12.141 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.723 -11.389 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.713 -12.059 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.956 -9.981 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.380 -9.771 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.299 -9.498 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.299 -13.767 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.755 -14.166 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.764 -13.485 -5.702 1.00 0.00 H new ATOM 874 N LYS A 421 -2.008 -11.448 -1.993 1.00 0.00 N ATOM 875 CA LYS A 421 -3.199 -10.680 -1.697 1.00 0.00 C ATOM 876 C LYS A 421 -3.267 -10.345 -0.218 1.00 0.00 C ATOM 877 O LYS A 421 -3.312 -9.177 0.157 1.00 0.00 O ATOM 878 CB LYS A 421 -4.439 -11.451 -2.119 1.00 0.00 C ATOM 879 CG LYS A 421 -5.715 -10.827 -1.619 1.00 0.00 C ATOM 880 CD LYS A 421 -5.671 -9.321 -1.773 1.00 0.00 C ATOM 881 CE LYS A 421 -5.668 -8.930 -3.237 1.00 0.00 C ATOM 882 NZ LYS A 421 -7.048 -8.805 -3.782 1.00 0.00 N ATOM 0 H LYS A 421 -2.152 -12.456 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.156 -9.747 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.471 -11.510 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.370 -12.473 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.564 -11.229 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.866 -11.086 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.531 -8.875 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.780 -8.927 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.143 -7.983 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.117 -9.676 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.106 -7.964 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.280 -9.652 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.724 -8.711 -2.997 1.00 0.00 H new ATOM 896 N ILE A 422 -3.264 -11.366 0.619 1.00 0.00 N ATOM 897 CA ILE A 422 -3.318 -11.154 2.053 1.00 0.00 C ATOM 898 C ILE A 422 -2.197 -10.238 2.491 1.00 0.00 C ATOM 899 O ILE A 422 -2.376 -9.392 3.365 1.00 0.00 O ATOM 900 CB ILE A 422 -3.245 -12.475 2.819 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.453 -13.348 2.474 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.175 -12.219 4.318 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.659 -12.571 1.962 1.00 0.00 C ATOM 0 H ILE A 422 -3.225 -12.344 0.333 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.275 -10.685 2.282 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.339 -13.004 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.157 -14.076 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.746 -13.910 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -3.124 -13.170 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.287 -11.629 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -4.064 -11.674 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.471 -13.264 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.984 -11.861 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.386 -12.031 1.055 1.00 0.00 H new ATOM 915 N ALA A 423 -1.050 -10.379 1.845 1.00 0.00 N ATOM 916 CA ALA A 423 0.073 -9.521 2.148 1.00 0.00 C ATOM 917 C ALA A 423 -0.264 -8.122 1.660 1.00 0.00 C ATOM 918 O ALA A 423 -0.190 -7.146 2.406 1.00 0.00 O ATOM 919 CB ALA A 423 1.355 -10.027 1.504 1.00 0.00 C ATOM 0 H ALA A 423 -0.878 -11.072 1.117 1.00 0.00 H new ATOM 0 HA ALA A 423 0.249 -9.515 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.177 -9.356 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.578 -11.028 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.230 -10.060 0.422 1.00 0.00 H new ATOM 925 N GLY A 424 -0.666 -8.051 0.393 1.00 0.00 N ATOM 926 CA GLY A 424 -1.052 -6.787 -0.202 1.00 0.00 C ATOM 927 C GLY A 424 -2.135 -6.106 0.607 1.00 0.00 C ATOM 928 O GLY A 424 -2.045 -4.912 0.892 1.00 0.00 O ATOM 0 H GLY A 424 -0.731 -8.853 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.182 -6.134 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.406 -6.955 -1.219 1.00 0.00 H new ATOM 932 N ILE A 425 -3.150 -6.874 1.005 1.00 0.00 N ATOM 933 CA ILE A 425 -4.230 -6.335 1.814 1.00 0.00 C ATOM 934 C ILE A 425 -3.655 -5.744 3.094 1.00 0.00 C ATOM 935 O ILE A 425 -3.793 -4.554 3.376 1.00 0.00 O ATOM 936 CB ILE A 425 -5.256 -7.422 2.195 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.906 -8.007 0.942 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.313 -6.851 3.129 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.210 -9.480 1.057 1.00 0.00 C ATOM 0 H ILE A 425 -3.242 -7.864 0.779 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.736 -5.571 1.224 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.733 -8.224 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.831 -7.468 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.246 -7.845 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -7.029 -7.631 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.835 -6.481 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.833 -6.032 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.670 -9.830 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.285 -10.030 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.895 -9.646 1.889 1.00 0.00 H new ATOM 951 N ARG A 426 -3.007 -6.611 3.862 1.00 0.00 N ATOM 952 CA ARG A 426 -2.388 -6.235 5.127 1.00 0.00 C ATOM 953 C ARG A 426 -1.465 -5.027 4.979 1.00 0.00 C ATOM 954 O ARG A 426 -1.417 -4.166 5.855 1.00 0.00 O ATOM 955 CB ARG A 426 -1.608 -7.424 5.673 1.00 0.00 C ATOM 956 CG ARG A 426 -1.732 -7.599 7.176 1.00 0.00 C ATOM 957 CD ARG A 426 -0.792 -6.667 7.920 1.00 0.00 C ATOM 958 NE ARG A 426 -0.241 -7.292 9.118 1.00 0.00 N ATOM 959 CZ ARG A 426 0.490 -8.401 9.100 1.00 0.00 C ATOM 960 NH1 ARG A 426 0.749 -9.008 7.949 1.00 0.00 N ATOM 961 NH2 ARG A 426 0.959 -8.906 10.233 1.00 0.00 N ATOM 0 H ARG A 426 -2.896 -7.597 3.625 1.00 0.00 H new ATOM 0 HA ARG A 426 -3.180 -5.952 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.956 -8.332 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.555 -7.305 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.759 -7.404 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.510 -8.632 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.022 -6.369 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 426 -1.326 -5.758 8.198 1.00 0.00 H new ATOM 0 HE ARG A 426 -0.428 -6.853 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 426 0.387 -8.623 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 426 1.310 -9.859 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 426 0.759 -8.443 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 426 1.520 -9.758 10.218 1.00 0.00 H new ATOM 975 N ALA A 427 -0.728 -4.970 3.875 1.00 0.00 N ATOM 976 CA ALA A 427 0.193 -3.863 3.630 1.00 0.00 C ATOM 977 C ALA A 427 -0.571 -2.579 3.327 1.00 0.00 C ATOM 978 O ALA A 427 -0.466 -1.594 4.055 1.00 0.00 O ATOM 979 CB ALA A 427 1.152 -4.192 2.493 1.00 0.00 C ATOM 0 H ALA A 427 -0.749 -5.674 3.137 1.00 0.00 H new ATOM 0 HA ALA A 427 0.779 -3.710 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.827 -3.351 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.732 -5.078 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.585 -4.382 1.582 1.00 0.00 H new ATOM 985 N ALA A 428 -1.339 -2.600 2.245 1.00 0.00 N ATOM 986 CA ALA A 428 -2.118 -1.433 1.849 1.00 0.00 C ATOM 987 C ALA A 428 -2.747 -0.828 3.086 1.00 0.00 C ATOM 988 O ALA A 428 -2.644 0.372 3.341 1.00 0.00 O ATOM 989 CB ALA A 428 -3.191 -1.805 0.845 1.00 0.00 C ATOM 0 H ALA A 428 -1.439 -3.407 1.629 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.458 -0.709 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.755 -0.914 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.726 -2.230 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.865 -2.539 1.288 1.00 0.00 H new ATOM 995 N GLU A 429 -3.378 -1.691 3.861 1.00 0.00 N ATOM 996 CA GLU A 429 -4.015 -1.305 5.100 1.00 0.00 C ATOM 997 C GLU A 429 -2.974 -0.777 6.083 1.00 0.00 C ATOM 998 O GLU A 429 -3.078 0.332 6.596 1.00 0.00 O ATOM 999 CB GLU A 429 -4.706 -2.528 5.688 1.00 0.00 C ATOM 1000 CG GLU A 429 -6.115 -2.258 6.184 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.325 -2.698 7.621 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.662 -3.667 8.048 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -7.153 -2.076 8.318 1.00 0.00 O ATOM 0 H GLU A 429 -3.462 -2.684 3.645 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.744 -0.516 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.741 -3.312 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -4.107 -2.909 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.327 -1.192 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.827 -2.776 5.542 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.980 -1.611 6.334 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.908 -1.274 7.263 1.00 0.00 C ATOM 1012 C ASN A 430 -0.431 0.145 7.002 1.00 0.00 C ATOM 1013 O ASN A 430 -0.435 0.989 7.899 1.00 0.00 O ATOM 1014 CB ASN A 430 0.251 -2.256 7.116 1.00 0.00 C ATOM 1015 CG ASN A 430 1.487 -1.813 7.875 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.108 -0.805 7.540 1.00 0.00 O ATOM 1017 ND2 ASN A 430 1.852 -2.569 8.906 1.00 0.00 N ATOM 0 H ASN A 430 -1.890 -2.533 5.906 1.00 0.00 H new ATOM 0 HA ASN A 430 -1.289 -1.341 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 430 -0.060 -3.237 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.497 -2.367 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 430 2.676 -2.321 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 430 1.308 -3.397 9.149 1.00 0.00 H new ATOM 1024 N ALA A 431 -0.049 0.408 5.764 1.00 0.00 N ATOM 1025 CA ALA A 431 0.395 1.733 5.372 1.00 0.00 C ATOM 1026 C ALA A 431 -0.760 2.706 5.496 1.00 0.00 C ATOM 1027 O ALA A 431 -0.587 3.876 5.835 1.00 0.00 O ATOM 1028 CB ALA A 431 0.919 1.719 3.948 1.00 0.00 C ATOM 0 H ALA A 431 -0.038 -0.281 5.012 1.00 0.00 H new ATOM 0 HA ALA A 431 1.206 2.047 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 431 1.247 2.721 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.760 1.029 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 431 0.127 1.397 3.272 1.00 0.00 H new ATOM 1034 N LEU A 432 -1.946 2.186 5.218 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.170 2.960 5.287 1.00 0.00 C ATOM 1036 C LEU A 432 -3.486 3.375 6.722 1.00 0.00 C ATOM 1037 O LEU A 432 -3.993 4.471 6.962 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.304 2.122 4.715 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.693 2.719 4.844 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.647 1.965 3.946 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.162 2.671 6.292 1.00 0.00 C ATOM 0 H LEU A 432 -2.084 1.215 4.938 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.049 3.874 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.102 1.943 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.299 1.151 5.210 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.666 3.764 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.646 2.392 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -6.312 2.043 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.672 0.916 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.160 3.103 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.189 1.636 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.473 3.240 6.917 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.189 2.492 7.671 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.448 2.773 9.081 1.00 0.00 C ATOM 1055 C ARG A 433 -2.740 4.050 9.512 1.00 0.00 C ATOM 1056 O ARG A 433 -3.301 4.874 10.236 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.980 1.609 9.958 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.099 0.250 9.294 1.00 0.00 C ATOM 1059 CD ARG A 433 -4.492 0.025 8.732 1.00 0.00 C ATOM 1060 NE ARG A 433 -5.523 0.195 9.754 1.00 0.00 N ATOM 1061 CZ ARG A 433 -6.813 0.364 9.482 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -7.231 0.387 8.225 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -7.686 0.511 10.470 1.00 0.00 N ATOM 0 H ARG A 433 -2.771 1.579 7.491 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.523 2.902 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.940 1.775 10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -3.563 1.604 10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -2.365 0.170 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -2.867 -0.531 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -4.672 0.724 7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -4.557 -0.979 8.313 1.00 0.00 H new ATOM 0 HE ARG A 433 -5.236 0.183 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -6.562 0.275 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -8.222 0.517 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -7.367 0.494 11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -8.676 0.641 10.261 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.504 4.202 9.061 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.701 5.369 9.389 1.00 0.00 C ATOM 1079 C ASP A 434 -1.300 6.639 8.789 1.00 0.00 C ATOM 1080 O ASP A 434 -1.271 6.840 7.575 1.00 0.00 O ATOM 1081 CB ASP A 434 0.731 5.179 8.895 1.00 0.00 C ATOM 1082 CG ASP A 434 1.560 4.335 9.844 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.790 4.781 10.988 1.00 0.00 O ATOM 1084 OD2 ASP A 434 1.978 3.229 9.443 1.00 0.00 O ATOM 0 H ASP A 434 -1.032 3.525 8.462 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.693 5.479 10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.714 4.707 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.203 6.154 8.772 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.826 7.496 9.654 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.415 8.758 9.217 1.00 0.00 C ATOM 1091 C LYS A 435 -1.329 9.680 8.684 1.00 0.00 C ATOM 1092 O LYS A 435 -1.421 10.184 7.570 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.166 9.431 10.366 1.00 0.00 C ATOM 1094 CG LYS A 435 -4.060 10.574 9.916 1.00 0.00 C ATOM 1095 CD LYS A 435 -5.530 10.265 10.155 1.00 0.00 C ATOM 1096 CE LYS A 435 -5.906 8.891 9.626 1.00 0.00 C ATOM 1097 NZ LYS A 435 -6.402 7.995 10.707 1.00 0.00 N ATOM 0 H LYS A 435 -1.858 7.342 10.662 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.128 8.551 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.773 8.685 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.444 9.808 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.787 11.483 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -3.897 10.769 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -5.744 10.316 11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.145 11.023 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -6.674 8.995 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -5.038 8.437 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -6.487 7.025 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -5.733 8.008 11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -7.333 8.325 11.032 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.317 9.912 9.508 1.00 0.00 N ATOM 1112 CA LYS A 436 0.774 10.799 9.136 1.00 0.00 C ATOM 1113 C LYS A 436 1.098 10.652 7.655 1.00 0.00 C ATOM 1114 O LYS A 436 1.085 11.634 6.916 1.00 0.00 O ATOM 1115 CB LYS A 436 2.013 10.494 9.976 1.00 0.00 C ATOM 1116 CG LYS A 436 2.159 11.393 11.191 1.00 0.00 C ATOM 1117 CD LYS A 436 2.983 10.727 12.281 1.00 0.00 C ATOM 1118 CE LYS A 436 4.445 10.609 11.881 1.00 0.00 C ATOM 1119 NZ LYS A 436 5.186 9.657 12.756 1.00 0.00 N ATOM 0 H LYS A 436 -0.229 9.499 10.436 1.00 0.00 H new ATOM 0 HA LYS A 436 0.464 11.827 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.972 9.456 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.900 10.595 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 436 2.632 12.330 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 436 1.172 11.643 11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 436 2.902 11.303 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 436 2.580 9.736 12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 436 4.512 10.277 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 436 4.916 11.591 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 6.179 9.605 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 5.144 9.987 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 4.753 8.714 12.688 1.00 0.00 H new ATOM 1133 N MET A 437 1.362 9.429 7.213 1.00 0.00 N ATOM 1134 CA MET A 437 1.653 9.203 5.801 1.00 0.00 C ATOM 1135 C MET A 437 0.443 9.617 4.974 1.00 0.00 C ATOM 1136 O MET A 437 0.577 10.317 3.974 1.00 0.00 O ATOM 1137 CB MET A 437 2.032 7.744 5.499 1.00 0.00 C ATOM 1138 CG MET A 437 1.889 6.789 6.670 1.00 0.00 C ATOM 1139 SD MET A 437 2.556 5.151 6.307 1.00 0.00 S ATOM 1140 CE MET A 437 4.265 5.357 6.805 1.00 0.00 C ATOM 0 H MET A 437 1.381 8.593 7.797 1.00 0.00 H new ATOM 0 HA MET A 437 2.520 9.809 5.536 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.410 7.385 4.679 1.00 0.00 H new ATOM 0 HB3 MET A 437 3.065 7.717 5.152 1.00 0.00 H new ATOM 0 HG2 MET A 437 2.402 7.203 7.538 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.836 6.699 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 437 4.807 4.426 6.640 1.00 0.00 H new ATOM 0 HE2 MET A 437 4.722 6.152 6.216 1.00 0.00 H new ATOM 0 HE3 MET A 437 4.307 5.618 7.862 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.741 9.206 5.418 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.976 9.570 4.735 1.00 0.00 C ATOM 1152 C LEU A 438 -1.984 11.073 4.490 1.00 0.00 C ATOM 1153 O LEU A 438 -1.966 11.541 3.351 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.168 9.211 5.621 1.00 0.00 C ATOM 1155 CG LEU A 438 -4.118 8.153 5.072 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -3.367 6.875 4.733 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -5.218 7.881 6.085 1.00 0.00 C ATOM 0 H LEU A 438 -0.870 8.623 6.245 1.00 0.00 H new ATOM 0 HA LEU A 438 -2.042 9.034 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.789 8.865 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.740 10.119 5.812 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.568 8.525 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -4.066 6.135 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.607 7.088 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.889 6.485 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -5.896 7.124 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.776 7.523 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.772 8.800 6.277 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.010 11.811 5.593 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.017 13.268 5.577 1.00 0.00 C ATOM 1171 C ASP A 439 -0.798 13.816 4.856 1.00 0.00 C ATOM 1172 O ASP A 439 -0.796 14.952 4.395 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.024 13.792 7.011 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.076 14.862 7.234 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -3.075 15.860 6.484 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -3.900 14.701 8.158 1.00 0.00 O ATOM 0 H ASP A 439 -2.027 11.411 6.531 1.00 0.00 H new ATOM 0 HA ASP A 439 -2.911 13.597 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.202 12.963 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.041 14.198 7.251 1.00 0.00 H new ATOM 1181 N PHE A 440 0.234 12.999 4.755 1.00 0.00 N ATOM 1182 CA PHE A 440 1.450 13.410 4.085 1.00 0.00 C ATOM 1183 C PHE A 440 1.253 13.344 2.583 1.00 0.00 C ATOM 1184 O PHE A 440 1.436 14.333 1.875 1.00 0.00 O ATOM 1185 CB PHE A 440 2.622 12.528 4.509 1.00 0.00 C ATOM 1186 CG PHE A 440 3.824 12.659 3.617 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.481 13.872 3.492 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.293 11.568 2.902 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.585 13.996 2.669 1.00 0.00 C ATOM 1190 CE2 PHE A 440 5.396 11.686 2.078 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.043 12.902 1.962 1.00 0.00 C ATOM 0 H PHE A 440 0.253 12.050 5.128 1.00 0.00 H new ATOM 0 HA PHE A 440 1.679 14.437 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.907 12.783 5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.298 11.487 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 440 4.127 14.730 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 440 3.791 10.616 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 440 6.088 14.947 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 440 5.752 10.829 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 440 6.906 12.996 1.319 1.00 0.00 H new ATOM 1201 N TYR A 441 0.861 12.172 2.105 1.00 0.00 N ATOM 1202 CA TYR A 441 0.621 11.982 0.695 1.00 0.00 C ATOM 1203 C TYR A 441 -0.455 12.938 0.220 1.00 0.00 C ATOM 1204 O TYR A 441 -0.263 13.669 -0.752 1.00 0.00 O ATOM 1205 CB TYR A 441 0.219 10.541 0.423 1.00 0.00 C ATOM 1206 CG TYR A 441 1.385 9.582 0.449 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.632 9.954 -0.040 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.239 8.304 0.962 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.698 9.077 -0.018 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.298 7.420 0.989 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.527 7.810 0.498 1.00 0.00 C ATOM 1212 OH TYR A 441 4.586 6.931 0.522 1.00 0.00 O ATOM 0 H TYR A 441 0.704 11.343 2.678 1.00 0.00 H new ATOM 0 HA TYR A 441 1.538 12.192 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.516 10.229 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.268 10.484 -0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.769 10.946 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.279 7.994 1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.660 9.382 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.165 6.427 1.393 1.00 0.00 H new ATOM 0 HH TYR A 441 4.978 6.916 1.420 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.581 12.958 0.926 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.657 13.865 0.569 1.00 0.00 C ATOM 1224 C ALA A 442 -2.092 15.276 0.522 1.00 0.00 C ATOM 1225 O ALA A 442 -2.061 15.915 -0.531 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.806 13.783 1.564 1.00 0.00 C ATOM 0 H ALA A 442 -1.767 12.366 1.735 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.058 13.585 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.594 14.475 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.201 12.767 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.446 14.048 2.558 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.638 15.750 1.679 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.063 17.081 1.786 1.00 0.00 C ATOM 1234 C LYS A 443 -0.122 17.322 0.623 1.00 0.00 C ATOM 1235 O LYS A 443 -0.031 18.429 0.097 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.291 17.224 3.091 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.167 17.439 4.307 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.453 18.914 4.528 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.006 19.572 3.274 1.00 0.00 C ATOM 1240 NZ LYS A 443 -2.461 20.966 3.531 1.00 0.00 N ATOM 0 H LYS A 443 -1.659 15.228 2.555 1.00 0.00 H new ATOM 0 HA LYS A 443 -1.871 17.812 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.311 16.329 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.400 18.062 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.106 16.899 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.677 17.025 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.166 19.028 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.537 19.421 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.239 19.578 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.840 18.983 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -2.831 21.378 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.211 20.959 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.660 21.536 3.870 1.00 0.00 H new ATOM 1254 N GLN A 444 0.553 16.260 0.206 1.00 0.00 N ATOM 1255 CA GLN A 444 1.460 16.343 -0.924 1.00 0.00 C ATOM 1256 C GLN A 444 0.647 16.637 -2.181 1.00 0.00 C ATOM 1257 O GLN A 444 0.887 17.615 -2.885 1.00 0.00 O ATOM 1258 CB GLN A 444 2.233 15.032 -1.082 1.00 0.00 C ATOM 1259 CG GLN A 444 3.634 15.211 -1.642 1.00 0.00 C ATOM 1260 CD GLN A 444 3.780 14.635 -3.036 1.00 0.00 C ATOM 1261 OE1 GLN A 444 2.808 14.169 -3.633 1.00 0.00 O ATOM 1262 NE2 GLN A 444 4.999 14.660 -3.563 1.00 0.00 N ATOM 0 H GLN A 444 0.489 15.336 0.633 1.00 0.00 H new ATOM 0 HA GLN A 444 2.183 17.142 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.300 14.541 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.672 14.367 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.880 16.273 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.352 14.731 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 444 5.776 15.056 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 444 5.158 14.284 -4.498 1.00 0.00 H new