USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 385 HIS :FLIP no HD1:sc= -0.649 F(o=-1,f=-0.44) USER MOD Set 1.2: A 396 THR OG1 : rot -89:sc= 0.205 USER MOD Set 2.1: A 386 THR OG1 : rot 2:sc= 0.0647 USER MOD Set 2.2: A 397 HIS : no HE2:sc= -0.764 K(o=-0.7,f=-8.1!) USER MOD Single : A 365 SER OG : rot 22:sc= 0.0311 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 27:sc= 0.887 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN : amide:sc= -0.262 K(o=-0.26,f=-4.8!) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ -152:sc= -0.0285 (180deg=-0.556) USER MOD Single : A 391 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot 29:sc= 0.478 USER MOD Single : A 401 LYS NZ :NH3+ -161:sc= -0.0425 (180deg=-0.321) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot -100:sc= -0.903! USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 180:sc= -1.83! USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 422 LYS NZ :NH3+ -162:sc=-0.00729 (180deg=-0.565) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 430 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 19.128 26.476 1.907 1.00 0.00 N ATOM 2 CA GLY A 364 19.395 26.791 3.298 1.00 0.00 C ATOM 3 C GLY A 364 19.650 25.553 4.134 1.00 0.00 C ATOM 4 O GLY A 364 20.036 24.509 3.608 1.00 0.00 O ATOM 0 HA2 GLY A 364 20.260 27.451 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 364 18.548 27.338 3.713 1.00 0.00 H new ATOM 8 N SER A 365 19.434 25.668 5.440 1.00 0.00 N ATOM 9 CA SER A 365 19.647 24.550 6.352 1.00 0.00 C ATOM 10 C SER A 365 18.449 23.605 6.342 1.00 0.00 C ATOM 11 O SER A 365 17.300 24.040 6.414 1.00 0.00 O ATOM 12 CB SER A 365 19.895 25.062 7.772 1.00 0.00 C ATOM 13 OG SER A 365 18.717 25.622 8.325 1.00 0.00 O ATOM 0 H SER A 365 19.112 26.524 5.891 1.00 0.00 H new ATOM 0 HA SER A 365 20.525 24.000 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 365 20.242 24.243 8.402 1.00 0.00 H new ATOM 0 HB3 SER A 365 20.686 25.812 7.759 1.00 0.00 H new ATOM 0 HG SER A 365 17.934 25.265 7.857 1.00 0.00 H new ATOM 19 N SER A 366 18.727 22.308 6.253 1.00 0.00 N ATOM 20 CA SER A 366 17.674 21.300 6.230 1.00 0.00 C ATOM 21 C SER A 366 18.079 20.073 7.041 1.00 0.00 C ATOM 22 O SER A 366 19.262 19.763 7.171 1.00 0.00 O ATOM 23 CB SER A 366 17.360 20.893 4.790 1.00 0.00 C ATOM 24 OG SER A 366 16.365 21.731 4.228 1.00 0.00 O ATOM 0 H SER A 366 19.673 21.931 6.196 1.00 0.00 H new ATOM 0 HA SER A 366 16.781 21.733 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 366 18.267 20.946 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 366 17.022 19.857 4.767 1.00 0.00 H new ATOM 0 HG SER A 366 16.184 21.451 3.307 1.00 0.00 H new ATOM 30 N GLY A 367 17.085 19.376 7.585 1.00 0.00 N ATOM 31 CA GLY A 367 17.357 18.191 8.377 1.00 0.00 C ATOM 32 C GLY A 367 17.058 18.395 9.848 1.00 0.00 C ATOM 33 O GLY A 367 17.566 19.329 10.468 1.00 0.00 O ATOM 0 H GLY A 367 16.097 19.611 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 367 16.760 17.361 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 367 18.404 17.911 8.258 1.00 0.00 H new ATOM 37 N SER A 368 16.229 17.520 10.409 1.00 0.00 N ATOM 38 CA SER A 368 15.858 17.612 11.817 1.00 0.00 C ATOM 39 C SER A 368 15.332 16.274 12.328 1.00 0.00 C ATOM 40 O SER A 368 14.946 15.406 11.545 1.00 0.00 O ATOM 41 CB SER A 368 14.801 18.699 12.017 1.00 0.00 C ATOM 42 OG SER A 368 15.395 19.985 12.061 1.00 0.00 O ATOM 0 H SER A 368 15.802 16.740 9.910 1.00 0.00 H new ATOM 0 HA SER A 368 16.750 17.873 12.387 1.00 0.00 H new ATOM 0 HB2 SER A 368 14.074 18.658 11.206 1.00 0.00 H new ATOM 0 HB3 SER A 368 14.256 18.515 12.943 1.00 0.00 H new ATOM 0 HG SER A 368 16.231 19.977 11.550 1.00 0.00 H new ATOM 48 N SER A 369 15.318 16.116 13.648 1.00 0.00 N ATOM 49 CA SER A 369 14.843 14.884 14.266 1.00 0.00 C ATOM 50 C SER A 369 13.351 14.971 14.572 1.00 0.00 C ATOM 51 O SER A 369 12.840 16.031 14.931 1.00 0.00 O ATOM 52 CB SER A 369 15.624 14.598 15.550 1.00 0.00 C ATOM 53 OG SER A 369 17.019 14.576 15.304 1.00 0.00 O ATOM 0 H SER A 369 15.630 16.826 14.310 1.00 0.00 H new ATOM 0 HA SER A 369 15.005 14.067 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 369 15.395 15.359 16.296 1.00 0.00 H new ATOM 0 HB3 SER A 369 15.310 13.640 15.965 1.00 0.00 H new ATOM 0 HG SER A 369 17.496 14.393 16.140 1.00 0.00 H new ATOM 59 N GLY A 370 12.657 13.845 14.429 1.00 0.00 N ATOM 60 CA GLY A 370 11.231 13.814 14.694 1.00 0.00 C ATOM 61 C GLY A 370 10.852 12.751 15.706 1.00 0.00 C ATOM 62 O GLY A 370 10.193 13.041 16.703 1.00 0.00 O ATOM 0 H GLY A 370 13.058 12.954 14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 370 10.911 14.790 15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 370 10.695 13.632 13.762 1.00 0.00 H new ATOM 66 N ASN A 371 11.268 11.516 15.447 1.00 0.00 N ATOM 67 CA ASN A 371 10.967 10.404 16.342 1.00 0.00 C ATOM 68 C ASN A 371 12.223 9.936 17.071 1.00 0.00 C ATOM 69 O ASN A 371 12.859 8.952 16.694 1.00 0.00 O ATOM 70 CB ASN A 371 10.356 9.242 15.557 1.00 0.00 C ATOM 71 CG ASN A 371 9.063 9.628 14.865 1.00 0.00 C ATOM 72 OD1 ASN A 371 8.670 10.794 14.865 1.00 0.00 O ATOM 73 ND2 ASN A 371 8.395 8.646 14.269 1.00 0.00 N ATOM 0 H ASN A 371 11.814 11.260 14.625 1.00 0.00 H new ATOM 0 HA ASN A 371 10.247 10.751 17.083 1.00 0.00 H new ATOM 0 HB2 ASN A 371 11.073 8.893 14.814 1.00 0.00 H new ATOM 0 HB3 ASN A 371 10.168 8.409 16.234 1.00 0.00 H new ATOM 0 HD21 ASN A 371 7.519 8.845 13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.758 7.693 14.294 1.00 0.00 H new ATOM 80 N PRO A 372 12.589 10.657 18.141 1.00 0.00 N ATOM 81 CA PRO A 372 13.771 10.334 18.946 1.00 0.00 C ATOM 82 C PRO A 372 13.592 9.051 19.749 1.00 0.00 C ATOM 83 O PRO A 372 14.524 8.581 20.402 1.00 0.00 O ATOM 84 CB PRO A 372 13.902 11.538 19.882 1.00 0.00 C ATOM 85 CG PRO A 372 12.522 12.091 19.983 1.00 0.00 C ATOM 86 CD PRO A 372 11.878 11.843 18.647 1.00 0.00 C ATOM 0 HA PRO A 372 14.651 10.161 18.327 1.00 0.00 H new ATOM 0 HB2 PRO A 372 14.282 11.240 20.859 1.00 0.00 H new ATOM 0 HB3 PRO A 372 14.596 12.277 19.482 1.00 0.00 H new ATOM 0 HG2 PRO A 372 11.964 11.603 20.782 1.00 0.00 H new ATOM 0 HG3 PRO A 372 12.544 13.156 20.214 1.00 0.00 H new ATOM 0 HD2 PRO A 372 10.808 11.659 18.745 1.00 0.00 H new ATOM 0 HD3 PRO A 372 11.995 12.697 17.980 1.00 0.00 H new ATOM 94 N ASP A 373 12.389 8.489 19.697 1.00 0.00 N ATOM 95 CA ASP A 373 12.089 7.258 20.420 1.00 0.00 C ATOM 96 C ASP A 373 12.000 6.074 19.462 1.00 0.00 C ATOM 97 O ASP A 373 11.178 5.176 19.644 1.00 0.00 O ATOM 98 CB ASP A 373 10.777 7.403 21.194 1.00 0.00 C ATOM 99 CG ASP A 373 10.641 6.376 22.300 1.00 0.00 C ATOM 100 OD1 ASP A 373 10.851 5.177 22.025 1.00 0.00 O ATOM 101 OD2 ASP A 373 10.324 6.772 23.442 1.00 0.00 O ATOM 0 H ASP A 373 11.606 8.866 19.162 1.00 0.00 H new ATOM 0 HA ASP A 373 12.899 7.073 21.125 1.00 0.00 H new ATOM 0 HB2 ASP A 373 10.720 8.404 21.622 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.939 7.303 20.504 1.00 0.00 H new ATOM 106 N TYR A 374 12.851 6.080 18.443 1.00 0.00 N ATOM 107 CA TYR A 374 12.867 5.008 17.454 1.00 0.00 C ATOM 108 C TYR A 374 14.097 5.112 16.557 1.00 0.00 C ATOM 109 O TYR A 374 14.883 6.053 16.668 1.00 0.00 O ATOM 110 CB TYR A 374 11.596 5.051 16.604 1.00 0.00 C ATOM 111 CG TYR A 374 11.286 3.743 15.912 1.00 0.00 C ATOM 112 CD1 TYR A 374 10.885 2.628 16.637 1.00 0.00 C ATOM 113 CD2 TYR A 374 11.393 3.622 14.531 1.00 0.00 C ATOM 114 CE1 TYR A 374 10.602 1.431 16.008 1.00 0.00 C ATOM 115 CE2 TYR A 374 11.111 2.430 13.894 1.00 0.00 C ATOM 116 CZ TYR A 374 10.716 1.337 14.637 1.00 0.00 C ATOM 117 OH TYR A 374 10.433 0.146 14.007 1.00 0.00 O ATOM 0 H TYR A 374 13.539 6.815 18.280 1.00 0.00 H new ATOM 0 HA TYR A 374 12.908 4.058 17.986 1.00 0.00 H new ATOM 0 HB2 TYR A 374 10.753 5.325 17.239 1.00 0.00 H new ATOM 0 HB3 TYR A 374 11.697 5.835 15.853 1.00 0.00 H new ATOM 0 HD1 TYR A 374 10.793 2.698 17.711 1.00 0.00 H new ATOM 0 HD2 TYR A 374 11.702 4.476 13.946 1.00 0.00 H new ATOM 0 HE1 TYR A 374 10.293 0.573 16.587 1.00 0.00 H new ATOM 0 HE2 TYR A 374 11.199 2.354 12.820 1.00 0.00 H new ATOM 0 HH TYR A 374 10.561 0.248 13.041 1.00 0.00 H new ATOM 127 N VAL A 375 14.255 4.138 15.666 1.00 0.00 N ATOM 128 CA VAL A 375 15.387 4.119 14.747 1.00 0.00 C ATOM 129 C VAL A 375 14.981 4.615 13.364 1.00 0.00 C ATOM 130 O VAL A 375 13.862 4.373 12.912 1.00 0.00 O ATOM 131 CB VAL A 375 15.983 2.705 14.619 1.00 0.00 C ATOM 132 CG1 VAL A 375 15.049 1.801 13.829 1.00 0.00 C ATOM 133 CG2 VAL A 375 17.357 2.763 13.970 1.00 0.00 C ATOM 0 H VAL A 375 13.613 3.352 15.561 1.00 0.00 H new ATOM 0 HA VAL A 375 16.142 4.787 15.162 1.00 0.00 H new ATOM 0 HB VAL A 375 16.096 2.286 15.619 1.00 0.00 H new ATOM 0 HG11 VAL A 375 15.487 0.806 13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 375 14.089 1.735 14.340 1.00 0.00 H new ATOM 0 HG13 VAL A 375 14.901 2.214 12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 375 17.763 1.755 13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 375 17.272 3.202 12.976 1.00 0.00 H new ATOM 0 HG23 VAL A 375 18.022 3.373 14.581 1.00 0.00 H new ATOM 143 N GLU A 376 15.897 5.310 12.697 1.00 0.00 N ATOM 144 CA GLU A 376 15.633 5.840 11.365 1.00 0.00 C ATOM 145 C GLU A 376 15.587 4.717 10.332 1.00 0.00 C ATOM 146 O GLU A 376 16.141 3.638 10.546 1.00 0.00 O ATOM 147 CB GLU A 376 16.703 6.862 10.977 1.00 0.00 C ATOM 148 CG GLU A 376 17.981 6.233 10.447 1.00 0.00 C ATOM 149 CD GLU A 376 18.806 5.580 11.539 1.00 0.00 C ATOM 150 OE1 GLU A 376 18.986 6.207 12.603 1.00 0.00 O ATOM 151 OE2 GLU A 376 19.272 4.440 11.328 1.00 0.00 O ATOM 0 H GLU A 376 16.828 5.519 13.057 1.00 0.00 H new ATOM 0 HA GLU A 376 14.661 6.333 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 376 16.296 7.532 10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.942 7.473 11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 376 17.729 5.488 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 376 18.580 6.998 9.952 1.00 0.00 H new ATOM 158 N VAL A 377 14.923 4.979 9.211 1.00 0.00 N ATOM 159 CA VAL A 377 14.805 3.993 8.144 1.00 0.00 C ATOM 160 C VAL A 377 16.015 4.037 7.218 1.00 0.00 C ATOM 161 O VAL A 377 16.412 5.104 6.750 1.00 0.00 O ATOM 162 CB VAL A 377 13.527 4.215 7.313 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.455 3.218 6.167 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.293 4.115 8.196 1.00 0.00 C ATOM 0 H VAL A 377 14.458 5.866 9.018 1.00 0.00 H new ATOM 0 HA VAL A 377 14.753 3.015 8.622 1.00 0.00 H new ATOM 0 HB VAL A 377 13.561 5.218 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.546 3.390 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.323 3.344 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.445 2.204 6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.400 4.274 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.251 3.126 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.343 4.873 8.978 1.00 0.00 H new ATOM 174 N ASP A 378 16.596 2.871 6.957 1.00 0.00 N ATOM 175 CA ASP A 378 17.761 2.776 6.085 1.00 0.00 C ATOM 176 C ASP A 378 17.452 3.342 4.702 1.00 0.00 C ATOM 177 O ASP A 378 18.008 4.364 4.301 1.00 0.00 O ATOM 178 CB ASP A 378 18.216 1.321 5.964 1.00 0.00 C ATOM 179 CG ASP A 378 19.549 1.189 5.253 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.833 2.020 4.365 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.308 0.255 5.585 1.00 0.00 O ATOM 0 H ASP A 378 16.279 1.979 7.337 1.00 0.00 H new ATOM 0 HA ASP A 378 18.565 3.365 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.293 0.883 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.461 0.751 5.423 1.00 0.00 H new ATOM 186 N ARG A 379 16.563 2.670 3.978 1.00 0.00 N ATOM 187 CA ARG A 379 16.183 3.104 2.639 1.00 0.00 C ATOM 188 C ARG A 379 15.055 2.237 2.086 1.00 0.00 C ATOM 189 O ARG A 379 14.525 1.373 2.784 1.00 0.00 O ATOM 190 CB ARG A 379 17.389 3.051 1.700 1.00 0.00 C ATOM 191 CG ARG A 379 18.064 1.690 1.653 1.00 0.00 C ATOM 192 CD ARG A 379 19.235 1.683 0.682 1.00 0.00 C ATOM 193 NE ARG A 379 20.419 2.322 1.249 1.00 0.00 N ATOM 194 CZ ARG A 379 21.533 2.547 0.561 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.613 2.187 -0.713 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.569 3.135 1.146 1.00 0.00 N ATOM 0 H ARG A 379 16.092 1.823 4.296 1.00 0.00 H new ATOM 0 HA ARG A 379 15.829 4.133 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.068 3.323 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.118 3.798 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.415 1.422 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.339 0.933 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.473 0.655 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.949 2.198 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 379 20.389 2.611 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.818 1.736 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.469 2.361 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.511 3.415 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.424 3.307 0.616 1.00 0.00 H new ATOM 210 N ILE A 380 14.695 2.475 0.830 1.00 0.00 N ATOM 211 CA ILE A 380 13.631 1.716 0.184 1.00 0.00 C ATOM 212 C ILE A 380 14.201 0.706 -0.806 1.00 0.00 C ATOM 213 O ILE A 380 15.102 1.022 -1.584 1.00 0.00 O ATOM 214 CB ILE A 380 12.647 2.642 -0.554 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.029 3.647 0.420 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.562 1.824 -1.239 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.035 4.584 -0.228 1.00 0.00 C ATOM 0 H ILE A 380 15.124 3.187 0.239 1.00 0.00 H new ATOM 0 HA ILE A 380 13.096 1.187 0.973 1.00 0.00 H new ATOM 0 HB ILE A 380 13.195 3.195 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.533 3.103 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.825 4.235 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.874 2.493 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.018 1.145 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.015 1.248 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.638 5.268 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.531 5.155 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.219 4.006 -0.661 1.00 0.00 H new ATOM 229 N LEU A 381 13.669 -0.511 -0.773 1.00 0.00 N ATOM 230 CA LEU A 381 14.123 -1.569 -1.669 1.00 0.00 C ATOM 231 C LEU A 381 13.371 -1.519 -2.995 1.00 0.00 C ATOM 232 O LEU A 381 13.955 -1.229 -4.039 1.00 0.00 O ATOM 233 CB LEU A 381 13.930 -2.937 -1.013 1.00 0.00 C ATOM 234 CG LEU A 381 14.932 -3.303 0.083 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.375 -4.405 0.970 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.260 -3.728 -0.528 1.00 0.00 C ATOM 0 H LEU A 381 12.923 -0.790 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 381 15.184 -1.413 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.927 -2.976 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.977 -3.700 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 381 15.104 -2.421 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.102 -4.652 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.450 -4.064 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.173 -5.290 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.961 -3.985 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.104 -4.596 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.667 -2.908 -1.120 1.00 0.00 H new ATOM 248 N GLU A 382 12.073 -1.801 -2.946 1.00 0.00 N ATOM 249 CA GLU A 382 11.243 -1.786 -4.144 1.00 0.00 C ATOM 250 C GLU A 382 9.829 -1.312 -3.820 1.00 0.00 C ATOM 251 O GLU A 382 9.454 -1.191 -2.654 1.00 0.00 O ATOM 252 CB GLU A 382 11.193 -3.179 -4.775 1.00 0.00 C ATOM 253 CG GLU A 382 12.300 -3.430 -5.785 1.00 0.00 C ATOM 254 CD GLU A 382 13.556 -3.993 -5.147 1.00 0.00 C ATOM 255 OE1 GLU A 382 13.430 -4.846 -4.243 1.00 0.00 O ATOM 256 OE2 GLU A 382 14.663 -3.580 -5.550 1.00 0.00 O ATOM 0 H GLU A 382 11.574 -2.042 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 382 11.688 -1.089 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.256 -3.928 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.229 -3.312 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 382 11.942 -4.123 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.542 -2.496 -6.293 1.00 0.00 H new ATOM 263 N VAL A 383 9.047 -1.044 -4.862 1.00 0.00 N ATOM 264 CA VAL A 383 7.675 -0.584 -4.689 1.00 0.00 C ATOM 265 C VAL A 383 6.690 -1.519 -5.383 1.00 0.00 C ATOM 266 O VAL A 383 6.925 -1.960 -6.508 1.00 0.00 O ATOM 267 CB VAL A 383 7.488 0.842 -5.241 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.780 0.880 -6.733 1.00 0.00 C ATOM 269 CG2 VAL A 383 6.081 1.344 -4.952 1.00 0.00 C ATOM 0 H VAL A 383 9.341 -1.138 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 383 7.475 -0.581 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 383 8.196 1.503 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.643 1.895 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.808 0.565 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 383 7.099 0.207 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.966 2.353 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.355 0.683 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.913 1.356 -3.875 1.00 0.00 H new ATOM 279 N ALA A 384 5.587 -1.817 -4.704 1.00 0.00 N ATOM 280 CA ALA A 384 4.565 -2.697 -5.256 1.00 0.00 C ATOM 281 C ALA A 384 3.192 -2.035 -5.221 1.00 0.00 C ATOM 282 O ALA A 384 2.836 -1.373 -4.245 1.00 0.00 O ATOM 283 CB ALA A 384 4.537 -4.015 -4.496 1.00 0.00 C ATOM 0 H ALA A 384 5.379 -1.462 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 384 4.817 -2.896 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.769 -4.663 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.508 -4.503 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.314 -3.825 -3.446 1.00 0.00 H new ATOM 289 N HIS A 385 2.425 -2.215 -6.292 1.00 0.00 N ATOM 290 CA HIS A 385 1.090 -1.634 -6.383 1.00 0.00 C ATOM 291 C HIS A 385 0.020 -2.720 -6.321 1.00 0.00 C ATOM 292 O HIS A 385 0.037 -3.670 -7.104 1.00 0.00 O ATOM 293 CB HIS A 385 0.947 -0.834 -7.678 1.00 0.00 C ATOM 294 CG HIS A 385 1.622 0.502 -7.634 1.00 0.00 C ATOM 295 ND1 HIS A 385 1.130 1.734 -7.362 1.00 0.00 N flip ATOM 296 CD2 HIS A 385 2.965 0.676 -7.891 1.00 0.00 C flip ATOM 297 CE1 HIS A 385 2.175 2.620 -7.458 1.00 0.00 C flip ATOM 298 NE2 HIS A 385 3.272 1.956 -7.777 1.00 0.00 N flip ATOM 0 H HIS A 385 2.705 -2.758 -7.109 1.00 0.00 H new ATOM 0 HA HIS A 385 0.953 -0.964 -5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.362 -1.415 -8.502 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.112 -0.690 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.659 -0.112 -8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 385 2.111 3.686 -7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.198 2.362 -7.912 1.00 0.00 H new ATOM 306 N THR A 386 -0.911 -2.573 -5.383 1.00 0.00 N ATOM 307 CA THR A 386 -1.987 -3.541 -5.217 1.00 0.00 C ATOM 308 C THR A 386 -3.314 -2.845 -4.937 1.00 0.00 C ATOM 309 O THR A 386 -3.345 -1.677 -4.548 1.00 0.00 O ATOM 310 CB THR A 386 -1.686 -4.526 -4.071 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.413 -3.805 -2.864 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.499 -5.412 -4.418 1.00 0.00 C ATOM 0 H THR A 386 -0.941 -1.792 -4.727 1.00 0.00 H new ATOM 0 HA THR A 386 -2.060 -4.095 -6.153 1.00 0.00 H new ATOM 0 HB THR A 386 -2.562 -5.159 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 386 -1.509 -2.844 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.305 -6.099 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.721 -5.981 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 386 0.381 -4.791 -4.588 1.00 0.00 H new ATOM 320 N LYS A 387 -4.411 -3.569 -5.137 1.00 0.00 N ATOM 321 CA LYS A 387 -5.742 -3.022 -4.904 1.00 0.00 C ATOM 322 C LYS A 387 -6.515 -3.878 -3.906 1.00 0.00 C ATOM 323 O LYS A 387 -6.094 -4.984 -3.565 1.00 0.00 O ATOM 324 CB LYS A 387 -6.516 -2.932 -6.221 1.00 0.00 C ATOM 325 CG LYS A 387 -6.047 -1.806 -7.126 1.00 0.00 C ATOM 326 CD LYS A 387 -6.599 -1.955 -8.534 1.00 0.00 C ATOM 327 CE LYS A 387 -8.003 -1.380 -8.646 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.045 -2.393 -8.321 1.00 0.00 N ATOM 0 H LYS A 387 -4.404 -4.536 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.628 -2.021 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -6.422 -3.878 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -7.575 -2.794 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.362 -0.849 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -4.958 -1.796 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -5.940 -1.449 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -6.613 -3.009 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -8.102 -0.529 -7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -8.163 -1.006 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -9.922 -2.166 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -8.713 -3.336 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.229 -2.385 -7.298 1.00 0.00 H new ATOM 342 N ASP A 388 -7.647 -3.361 -3.442 1.00 0.00 N ATOM 343 CA ASP A 388 -8.480 -4.080 -2.485 1.00 0.00 C ATOM 344 C ASP A 388 -9.285 -5.174 -3.179 1.00 0.00 C ATOM 345 O ASP A 388 -9.261 -5.295 -4.403 1.00 0.00 O ATOM 346 CB ASP A 388 -9.424 -3.111 -1.770 1.00 0.00 C ATOM 347 CG ASP A 388 -9.960 -3.679 -0.470 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.144 -3.993 0.421 1.00 0.00 O ATOM 349 OD2 ASP A 388 -11.196 -3.809 -0.344 1.00 0.00 O ATOM 0 H ASP A 388 -8.009 -2.447 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.825 -4.547 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.897 -2.179 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.258 -2.868 -2.428 1.00 0.00 H new ATOM 354 N ALA A 389 -9.996 -5.971 -2.387 1.00 0.00 N ATOM 355 CA ALA A 389 -10.808 -7.055 -2.925 1.00 0.00 C ATOM 356 C ALA A 389 -12.291 -6.811 -2.665 1.00 0.00 C ATOM 357 O ALA A 389 -13.150 -7.432 -3.291 1.00 0.00 O ATOM 358 CB ALA A 389 -10.377 -8.385 -2.326 1.00 0.00 C ATOM 0 H ALA A 389 -10.026 -5.886 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.656 -7.089 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.992 -9.186 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.331 -8.571 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -10.499 -8.353 -1.243 1.00 0.00 H new ATOM 364 N GLU A 390 -12.583 -5.904 -1.739 1.00 0.00 N ATOM 365 CA GLU A 390 -13.963 -5.580 -1.396 1.00 0.00 C ATOM 366 C GLU A 390 -14.595 -4.692 -2.464 1.00 0.00 C ATOM 367 O GLU A 390 -15.665 -4.998 -2.991 1.00 0.00 O ATOM 368 CB GLU A 390 -14.024 -4.883 -0.036 1.00 0.00 C ATOM 369 CG GLU A 390 -15.342 -5.086 0.694 1.00 0.00 C ATOM 370 CD GLU A 390 -16.543 -4.748 -0.167 1.00 0.00 C ATOM 371 OE1 GLU A 390 -16.615 -3.604 -0.663 1.00 0.00 O ATOM 372 OE2 GLU A 390 -17.412 -5.627 -0.343 1.00 0.00 O ATOM 0 H GLU A 390 -11.883 -5.381 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.526 -6.512 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.211 -5.253 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.857 -3.815 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -15.415 -6.123 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -15.356 -4.466 1.590 1.00 0.00 H new ATOM 379 N THR A 391 -13.925 -3.587 -2.779 1.00 0.00 N ATOM 380 CA THR A 391 -14.420 -2.653 -3.781 1.00 0.00 C ATOM 381 C THR A 391 -13.393 -2.437 -4.887 1.00 0.00 C ATOM 382 O THR A 391 -13.721 -2.487 -6.071 1.00 0.00 O ATOM 383 CB THR A 391 -14.776 -1.292 -3.154 1.00 0.00 C ATOM 384 OG1 THR A 391 -13.927 -1.034 -2.030 1.00 0.00 O ATOM 385 CG2 THR A 391 -16.232 -1.262 -2.714 1.00 0.00 C ATOM 0 H THR A 391 -13.038 -3.318 -2.354 1.00 0.00 H new ATOM 0 HA THR A 391 -15.321 -3.095 -4.207 1.00 0.00 H new ATOM 0 HB THR A 391 -14.626 -0.519 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 391 -14.158 -0.166 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 391 -16.459 -0.291 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.876 -1.429 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 391 -16.405 -2.044 -1.975 1.00 0.00 H new ATOM 393 N GLY A 392 -12.146 -2.197 -4.491 1.00 0.00 N ATOM 394 CA GLY A 392 -11.090 -1.978 -5.462 1.00 0.00 C ATOM 395 C GLY A 392 -10.399 -0.642 -5.274 1.00 0.00 C ATOM 396 O GLY A 392 -10.132 0.067 -6.244 1.00 0.00 O ATOM 0 H GLY A 392 -11.849 -2.150 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.355 -2.779 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.508 -2.029 -6.467 1.00 0.00 H new ATOM 400 N GLU A 393 -10.110 -0.296 -4.023 1.00 0.00 N ATOM 401 CA GLU A 393 -9.448 0.965 -3.713 1.00 0.00 C ATOM 402 C GLU A 393 -7.956 0.887 -4.021 1.00 0.00 C ATOM 403 O GLU A 393 -7.362 -0.191 -3.995 1.00 0.00 O ATOM 404 CB GLU A 393 -9.658 1.329 -2.242 1.00 0.00 C ATOM 405 CG GLU A 393 -11.041 1.883 -1.943 1.00 0.00 C ATOM 406 CD GLU A 393 -11.348 1.915 -0.458 1.00 0.00 C ATOM 407 OE1 GLU A 393 -11.383 0.832 0.163 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.553 3.022 0.082 1.00 0.00 O ATOM 0 H GLU A 393 -10.324 -0.871 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.890 1.741 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.491 0.443 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.910 2.065 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.120 2.892 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.789 1.276 -2.452 1.00 0.00 H new ATOM 415 N GLU A 394 -7.356 2.037 -4.313 1.00 0.00 N ATOM 416 CA GLU A 394 -5.934 2.098 -4.628 1.00 0.00 C ATOM 417 C GLU A 394 -5.090 1.869 -3.377 1.00 0.00 C ATOM 418 O GLU A 394 -5.100 2.680 -2.451 1.00 0.00 O ATOM 419 CB GLU A 394 -5.584 3.451 -5.252 1.00 0.00 C ATOM 420 CG GLU A 394 -4.294 3.436 -6.054 1.00 0.00 C ATOM 421 CD GLU A 394 -3.820 4.828 -6.422 1.00 0.00 C ATOM 422 OE1 GLU A 394 -3.922 5.735 -5.569 1.00 0.00 O ATOM 423 OE2 GLU A 394 -3.346 5.011 -7.563 1.00 0.00 O ATOM 0 H GLU A 394 -7.833 2.938 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.713 1.308 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.402 3.765 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.501 4.196 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -3.518 2.933 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.443 2.855 -6.964 1.00 0.00 H new ATOM 430 N VAL A 395 -4.360 0.758 -3.358 1.00 0.00 N ATOM 431 CA VAL A 395 -3.510 0.422 -2.223 1.00 0.00 C ATOM 432 C VAL A 395 -2.064 0.217 -2.660 1.00 0.00 C ATOM 433 O VAL A 395 -1.643 -0.904 -2.947 1.00 0.00 O ATOM 434 CB VAL A 395 -4.004 -0.851 -1.509 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.075 -1.214 -0.361 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.430 -0.664 -1.013 1.00 0.00 C ATOM 0 H VAL A 395 -4.341 0.076 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.561 1.262 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.997 -1.674 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.440 -2.115 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.072 -1.393 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.047 -0.395 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.763 -1.573 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.465 0.171 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.085 -0.456 -1.859 1.00 0.00 H new ATOM 446 N THR A 396 -1.306 1.308 -2.710 1.00 0.00 N ATOM 447 CA THR A 396 0.093 1.249 -3.114 1.00 0.00 C ATOM 448 C THR A 396 0.985 0.837 -1.948 1.00 0.00 C ATOM 449 O THR A 396 0.996 1.487 -0.902 1.00 0.00 O ATOM 450 CB THR A 396 0.577 2.605 -3.661 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.287 3.045 -4.715 1.00 0.00 O ATOM 452 CG2 THR A 396 2.004 2.501 -4.178 1.00 0.00 C ATOM 0 H THR A 396 -1.638 2.244 -2.476 1.00 0.00 H new ATOM 0 HA THR A 396 0.163 0.501 -3.904 1.00 0.00 H new ATOM 0 HB THR A 396 0.554 3.330 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.036 2.694 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.324 3.471 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.664 2.194 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.048 1.763 -4.979 1.00 0.00 H new ATOM 460 N HIS A 397 1.731 -0.247 -2.134 1.00 0.00 N ATOM 461 CA HIS A 397 2.628 -0.745 -1.097 1.00 0.00 C ATOM 462 C HIS A 397 4.068 -0.327 -1.378 1.00 0.00 C ATOM 463 O HIS A 397 4.458 -0.142 -2.531 1.00 0.00 O ATOM 464 CB HIS A 397 2.536 -2.268 -1.003 1.00 0.00 C ATOM 465 CG HIS A 397 1.303 -2.751 -0.303 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.196 -3.229 -0.972 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.007 -2.831 1.016 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.729 -3.579 -0.096 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.261 -3.348 1.118 1.00 0.00 N ATOM 0 H HIS A 397 1.732 -0.797 -2.993 1.00 0.00 H new ATOM 0 HA HIS A 397 2.321 -0.310 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.561 -2.688 -2.008 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.413 -2.645 -0.478 1.00 0.00 H new ATOM 0 HD1 HIS A 397 0.105 -3.301 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.649 -2.542 1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.702 -3.985 -0.332 1.00 0.00 H new ATOM 477 N TYR A 398 4.853 -0.180 -0.317 1.00 0.00 N ATOM 478 CA TYR A 398 6.250 0.219 -0.449 1.00 0.00 C ATOM 479 C TYR A 398 7.140 -0.595 0.486 1.00 0.00 C ATOM 480 O TYR A 398 7.015 -0.514 1.708 1.00 0.00 O ATOM 481 CB TYR A 398 6.406 1.711 -0.149 1.00 0.00 C ATOM 482 CG TYR A 398 6.008 2.605 -1.301 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.694 3.031 -1.454 1.00 0.00 C ATOM 484 CD2 TYR A 398 6.946 3.023 -2.237 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.326 3.848 -2.506 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.587 3.841 -3.291 1.00 0.00 C ATOM 487 CZ TYR A 398 5.276 4.250 -3.421 1.00 0.00 C ATOM 488 OH TYR A 398 4.914 5.064 -4.471 1.00 0.00 O ATOM 0 H TYR A 398 4.546 -0.331 0.644 1.00 0.00 H new ATOM 0 HA TYR A 398 6.561 0.027 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.801 1.963 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.444 1.913 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.948 2.718 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 398 7.973 2.703 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.300 4.170 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.329 4.158 -4.009 1.00 0.00 H new ATOM 0 HH TYR A 398 4.152 5.620 -4.206 1.00 0.00 H new ATOM 498 N LEU A 399 8.038 -1.380 -0.099 1.00 0.00 N ATOM 499 CA LEU A 399 8.951 -2.210 0.679 1.00 0.00 C ATOM 500 C LEU A 399 9.980 -1.351 1.408 1.00 0.00 C ATOM 501 O LEU A 399 10.996 -0.960 0.833 1.00 0.00 O ATOM 502 CB LEU A 399 9.660 -3.214 -0.230 1.00 0.00 C ATOM 503 CG LEU A 399 10.450 -4.318 0.475 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.637 -4.910 1.616 1.00 0.00 C ATOM 505 CD2 LEU A 399 10.851 -5.402 -0.515 1.00 0.00 C ATOM 0 H LEU A 399 8.153 -1.459 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 399 8.366 -2.753 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.914 -3.682 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.342 -2.666 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 399 11.357 -3.880 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.215 -5.694 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.400 -4.128 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.712 -5.333 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.412 -6.179 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 399 9.956 -5.837 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.472 -4.968 -1.298 1.00 0.00 H new ATOM 517 N VAL A 400 9.711 -1.064 2.677 1.00 0.00 N ATOM 518 CA VAL A 400 10.616 -0.255 3.486 1.00 0.00 C ATOM 519 C VAL A 400 11.802 -1.078 3.974 1.00 0.00 C ATOM 520 O VAL A 400 11.640 -2.204 4.444 1.00 0.00 O ATOM 521 CB VAL A 400 9.891 0.351 4.703 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.874 1.089 5.598 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.772 1.277 4.249 1.00 0.00 C ATOM 0 H VAL A 400 8.874 -1.379 3.168 1.00 0.00 H new ATOM 0 HA VAL A 400 10.976 0.552 2.847 1.00 0.00 H new ATOM 0 HB VAL A 400 9.449 -0.460 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.343 1.510 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.637 0.395 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.348 1.892 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.270 1.696 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.189 2.084 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.054 0.714 3.653 1.00 0.00 H new ATOM 533 N LYS A 401 12.997 -0.508 3.858 1.00 0.00 N ATOM 534 CA LYS A 401 14.214 -1.188 4.289 1.00 0.00 C ATOM 535 C LYS A 401 14.806 -0.514 5.522 1.00 0.00 C ATOM 536 O LYS A 401 15.284 0.618 5.453 1.00 0.00 O ATOM 537 CB LYS A 401 15.244 -1.199 3.157 1.00 0.00 C ATOM 538 CG LYS A 401 16.156 -2.413 3.177 1.00 0.00 C ATOM 539 CD LYS A 401 17.348 -2.199 4.095 1.00 0.00 C ATOM 540 CE LYS A 401 18.425 -1.360 3.424 1.00 0.00 C ATOM 541 NZ LYS A 401 19.087 -2.094 2.310 1.00 0.00 N ATOM 0 H LYS A 401 13.149 0.423 3.469 1.00 0.00 H new ATOM 0 HA LYS A 401 13.955 -2.215 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.721 -1.163 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.852 -0.297 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.594 -3.286 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.507 -2.623 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.020 -1.707 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.764 -3.164 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 401 17.983 -0.441 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 401 19.172 -1.070 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 20.000 -1.645 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 19.245 -3.083 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 18.479 -2.067 1.467 1.00 0.00 H new ATOM 555 N TRP A 402 14.771 -1.217 6.648 1.00 0.00 N ATOM 556 CA TRP A 402 15.306 -0.687 7.897 1.00 0.00 C ATOM 557 C TRP A 402 16.202 -1.711 8.585 1.00 0.00 C ATOM 558 O TRP A 402 15.721 -2.579 9.314 1.00 0.00 O ATOM 559 CB TRP A 402 14.166 -0.279 8.832 1.00 0.00 C ATOM 560 CG TRP A 402 13.004 -1.225 8.799 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.036 -2.551 8.472 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.639 -0.917 9.103 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.772 -3.085 8.555 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.898 -2.104 8.940 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.972 0.245 9.499 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.524 -2.159 9.159 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.608 0.189 9.715 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.896 -1.006 9.545 1.00 0.00 C ATOM 0 H TRP A 402 14.378 -2.155 6.722 1.00 0.00 H new ATOM 0 HA TRP A 402 15.906 0.192 7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.546 -0.217 9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.821 0.718 8.559 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.923 -3.099 8.190 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.525 -4.055 8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.512 1.170 9.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.973 -3.079 9.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.082 1.081 10.020 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.831 -1.017 9.722 1.00 0.00 H new ATOM 579 N CYS A 403 17.505 -1.605 8.348 1.00 0.00 N ATOM 580 CA CYS A 403 18.467 -2.524 8.945 1.00 0.00 C ATOM 581 C CYS A 403 18.077 -2.864 10.380 1.00 0.00 C ATOM 582 O CYS A 403 18.017 -4.034 10.757 1.00 0.00 O ATOM 583 CB CYS A 403 19.870 -1.915 8.916 1.00 0.00 C ATOM 584 SG CYS A 403 21.147 -2.968 9.644 1.00 0.00 S ATOM 0 H CYS A 403 17.919 -0.892 7.747 1.00 0.00 H new ATOM 0 HA CYS A 403 18.465 -3.444 8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.139 -1.698 7.882 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.852 -0.963 9.447 1.00 0.00 H new ATOM 0 HG CYS A 403 22.298 -2.368 9.571 1.00 0.00 H new ATOM 590 N SER A 404 17.814 -1.833 11.176 1.00 0.00 N ATOM 591 CA SER A 404 17.435 -2.022 12.572 1.00 0.00 C ATOM 592 C SER A 404 16.619 -3.299 12.744 1.00 0.00 C ATOM 593 O SER A 404 16.811 -4.048 13.703 1.00 0.00 O ATOM 594 CB SER A 404 16.633 -0.819 13.072 1.00 0.00 C ATOM 595 OG SER A 404 16.732 -0.689 14.479 1.00 0.00 O ATOM 0 H SER A 404 17.856 -0.858 10.879 1.00 0.00 H new ATOM 0 HA SER A 404 18.347 -2.112 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.998 0.090 12.593 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.587 -0.931 12.787 1.00 0.00 H new ATOM 0 HG SER A 404 15.927 -1.058 14.899 1.00 0.00 H new ATOM 601 N LEU A 405 15.706 -3.541 11.810 1.00 0.00 N ATOM 602 CA LEU A 405 14.859 -4.728 11.857 1.00 0.00 C ATOM 603 C LEU A 405 15.436 -5.844 10.992 1.00 0.00 C ATOM 604 O LEU A 405 16.219 -5.607 10.071 1.00 0.00 O ATOM 605 CB LEU A 405 13.443 -4.386 11.391 1.00 0.00 C ATOM 606 CG LEU A 405 12.540 -3.714 12.425 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.386 -2.997 11.741 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.017 -4.737 13.423 1.00 0.00 C ATOM 0 H LEU A 405 15.533 -2.931 11.011 1.00 0.00 H new ATOM 0 HA LEU A 405 14.821 -5.077 12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.516 -3.732 10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.960 -5.305 11.058 1.00 0.00 H new ATOM 0 HG LEU A 405 13.130 -2.975 12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.754 -2.525 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.779 -2.236 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.797 -3.716 11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.376 -4.240 14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.444 -5.500 12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.856 -5.205 13.938 1.00 0.00 H new ATOM 620 N PRO A 406 15.041 -7.090 11.291 1.00 0.00 N ATOM 621 CA PRO A 406 15.504 -8.267 10.550 1.00 0.00 C ATOM 622 C PRO A 406 14.938 -8.322 9.136 1.00 0.00 C ATOM 623 O PRO A 406 13.732 -8.178 8.934 1.00 0.00 O ATOM 624 CB PRO A 406 14.979 -9.439 11.383 1.00 0.00 C ATOM 625 CG PRO A 406 13.796 -8.891 12.105 1.00 0.00 C ATOM 626 CD PRO A 406 14.110 -7.446 12.375 1.00 0.00 C ATOM 0 HA PRO A 406 16.586 -8.268 10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.701 -10.282 10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.736 -9.800 12.080 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.892 -8.988 11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.620 -9.433 13.034 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.212 -6.829 12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.565 -7.310 13.356 1.00 0.00 H new ATOM 634 N TYR A 407 15.815 -8.531 8.160 1.00 0.00 N ATOM 635 CA TYR A 407 15.402 -8.603 6.764 1.00 0.00 C ATOM 636 C TYR A 407 14.156 -9.470 6.608 1.00 0.00 C ATOM 637 O TYR A 407 13.143 -9.028 6.066 1.00 0.00 O ATOM 638 CB TYR A 407 16.536 -9.161 5.903 1.00 0.00 C ATOM 639 CG TYR A 407 16.212 -9.201 4.426 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.958 -8.032 3.719 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.160 -10.407 3.738 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.661 -8.063 2.371 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.866 -10.447 2.389 1.00 0.00 C ATOM 644 CZ TYR A 407 15.617 -9.273 1.710 1.00 0.00 C ATOM 645 OH TYR A 407 15.321 -9.309 0.366 1.00 0.00 O ATOM 0 H TYR A 407 16.816 -8.653 8.310 1.00 0.00 H new ATOM 0 HA TYR A 407 15.164 -7.593 6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.428 -8.554 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.775 -10.169 6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.994 -7.083 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.353 -11.329 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.464 -7.145 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.831 -11.393 1.869 1.00 0.00 H new ATOM 0 HH TYR A 407 15.332 -10.238 0.053 1.00 0.00 H new ATOM 655 N GLU A 408 14.240 -10.707 7.089 1.00 0.00 N ATOM 656 CA GLU A 408 13.119 -11.636 7.003 1.00 0.00 C ATOM 657 C GLU A 408 11.800 -10.927 7.294 1.00 0.00 C ATOM 658 O GLU A 408 10.746 -11.328 6.802 1.00 0.00 O ATOM 659 CB GLU A 408 13.314 -12.796 7.981 1.00 0.00 C ATOM 660 CG GLU A 408 14.159 -13.929 7.422 1.00 0.00 C ATOM 661 CD GLU A 408 13.485 -14.643 6.266 1.00 0.00 C ATOM 662 OE1 GLU A 408 12.237 -14.653 6.221 1.00 0.00 O ATOM 663 OE2 GLU A 408 14.207 -15.191 5.407 1.00 0.00 O ATOM 0 H GLU A 408 15.071 -11.088 7.541 1.00 0.00 H new ATOM 0 HA GLU A 408 13.083 -12.029 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.783 -12.419 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.338 -13.188 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 408 15.118 -13.532 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 408 14.369 -14.647 8.215 1.00 0.00 H new ATOM 670 N GLU A 409 11.868 -9.870 8.099 1.00 0.00 N ATOM 671 CA GLU A 409 10.679 -9.106 8.457 1.00 0.00 C ATOM 672 C GLU A 409 10.465 -7.947 7.488 1.00 0.00 C ATOM 673 O GLU A 409 9.949 -6.895 7.866 1.00 0.00 O ATOM 674 CB GLU A 409 10.799 -8.575 9.887 1.00 0.00 C ATOM 675 CG GLU A 409 10.539 -9.628 10.951 1.00 0.00 C ATOM 676 CD GLU A 409 9.351 -10.511 10.621 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.217 -9.989 10.582 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.556 -11.723 10.401 1.00 0.00 O ATOM 0 H GLU A 409 12.733 -9.524 8.515 1.00 0.00 H new ATOM 0 HA GLU A 409 9.818 -9.772 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.799 -8.165 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.095 -7.754 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.427 -10.249 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.367 -9.137 11.909 1.00 0.00 H new ATOM 685 N SER A 410 10.866 -8.147 6.237 1.00 0.00 N ATOM 686 CA SER A 410 10.723 -7.118 5.214 1.00 0.00 C ATOM 687 C SER A 410 9.251 -6.824 4.941 1.00 0.00 C ATOM 688 O SER A 410 8.587 -7.552 4.203 1.00 0.00 O ATOM 689 CB SER A 410 11.417 -7.553 3.922 1.00 0.00 C ATOM 690 OG SER A 410 11.868 -6.431 3.183 1.00 0.00 O ATOM 0 H SER A 410 11.293 -9.013 5.907 1.00 0.00 H new ATOM 0 HA SER A 410 11.195 -6.207 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 410 12.262 -8.200 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.727 -8.139 3.315 1.00 0.00 H new ATOM 0 HG SER A 410 12.309 -6.736 2.363 1.00 0.00 H new ATOM 696 N THR A 411 8.747 -5.751 5.542 1.00 0.00 N ATOM 697 CA THR A 411 7.354 -5.360 5.366 1.00 0.00 C ATOM 698 C THR A 411 7.221 -4.245 4.335 1.00 0.00 C ATOM 699 O THR A 411 8.210 -3.617 3.957 1.00 0.00 O ATOM 700 CB THR A 411 6.729 -4.893 6.694 1.00 0.00 C ATOM 701 OG1 THR A 411 5.353 -4.551 6.495 1.00 0.00 O ATOM 702 CG2 THR A 411 7.479 -3.693 7.252 1.00 0.00 C ATOM 0 H THR A 411 9.283 -5.137 6.155 1.00 0.00 H new ATOM 0 HA THR A 411 6.821 -6.243 5.013 1.00 0.00 H new ATOM 0 HB THR A 411 6.799 -5.711 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.963 -4.257 7.345 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.020 -3.381 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.519 -3.965 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.436 -2.872 6.536 1.00 0.00 H new ATOM 710 N TRP A 412 5.995 -4.005 3.885 1.00 0.00 N ATOM 711 CA TRP A 412 5.735 -2.964 2.898 1.00 0.00 C ATOM 712 C TRP A 412 4.748 -1.935 3.439 1.00 0.00 C ATOM 713 O TRP A 412 3.535 -2.111 3.334 1.00 0.00 O ATOM 714 CB TRP A 412 5.191 -3.581 1.608 1.00 0.00 C ATOM 715 CG TRP A 412 5.970 -4.774 1.146 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.242 -5.904 1.863 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.580 -4.955 -0.137 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.984 -6.776 1.104 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.203 -6.218 -0.128 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.657 -4.175 -1.294 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.895 -6.715 -1.229 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.345 -4.669 -2.386 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.956 -5.929 -2.348 1.00 0.00 C ATOM 0 H TRP A 412 5.166 -4.517 4.188 1.00 0.00 H new ATOM 0 HA TRP A 412 6.676 -2.459 2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.152 -3.872 1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.197 -2.826 0.822 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.921 -6.085 2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.318 -7.691 1.408 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.187 -3.203 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.367 -7.686 -1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.413 -4.073 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.485 -6.287 -3.218 1.00 0.00 H new ATOM 734 N GLU A 413 5.277 -0.861 4.017 1.00 0.00 N ATOM 735 CA GLU A 413 4.442 0.195 4.575 1.00 0.00 C ATOM 736 C GLU A 413 3.730 0.968 3.468 1.00 0.00 C ATOM 737 O GLU A 413 4.212 1.040 2.337 1.00 0.00 O ATOM 738 CB GLU A 413 5.286 1.153 5.419 1.00 0.00 C ATOM 739 CG GLU A 413 5.907 0.500 6.642 1.00 0.00 C ATOM 740 CD GLU A 413 4.983 0.515 7.844 1.00 0.00 C ATOM 741 OE1 GLU A 413 3.879 -0.061 7.750 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.363 1.103 8.878 1.00 0.00 O ATOM 0 H GLU A 413 6.280 -0.700 4.111 1.00 0.00 H new ATOM 0 HA GLU A 413 3.690 -0.271 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.079 1.569 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.662 1.987 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.171 -0.530 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.833 1.016 6.894 1.00 0.00 H new ATOM 749 N LEU A 414 2.581 1.544 3.802 1.00 0.00 N ATOM 750 CA LEU A 414 1.801 2.312 2.837 1.00 0.00 C ATOM 751 C LEU A 414 2.491 3.631 2.505 1.00 0.00 C ATOM 752 O LEU A 414 3.104 4.256 3.370 1.00 0.00 O ATOM 753 CB LEU A 414 0.398 2.580 3.384 1.00 0.00 C ATOM 754 CG LEU A 414 -0.559 1.388 3.391 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.758 1.672 4.283 1.00 0.00 C ATOM 756 CD2 LEU A 414 -1.011 1.058 1.976 1.00 0.00 C ATOM 0 H LEU A 414 2.168 1.494 4.733 1.00 0.00 H new ATOM 0 HA LEU A 414 1.721 1.725 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.492 2.950 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.053 3.379 2.796 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.030 0.524 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.428 0.813 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.418 1.858 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.288 2.549 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.692 0.207 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.523 1.920 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.143 0.811 1.365 1.00 0.00 H new ATOM 768 N GLU A 415 2.385 4.048 1.247 1.00 0.00 N ATOM 769 CA GLU A 415 2.999 5.294 0.802 1.00 0.00 C ATOM 770 C GLU A 415 2.881 6.372 1.876 1.00 0.00 C ATOM 771 O GLU A 415 3.798 7.169 2.072 1.00 0.00 O ATOM 772 CB GLU A 415 2.344 5.776 -0.494 1.00 0.00 C ATOM 773 CG GLU A 415 3.178 6.793 -1.255 1.00 0.00 C ATOM 774 CD GLU A 415 2.472 7.319 -2.490 1.00 0.00 C ATOM 775 OE1 GLU A 415 2.545 6.655 -3.544 1.00 0.00 O ATOM 776 OE2 GLU A 415 1.847 8.397 -2.400 1.00 0.00 O ATOM 0 H GLU A 415 1.881 3.542 0.519 1.00 0.00 H new ATOM 0 HA GLU A 415 4.056 5.103 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.157 4.917 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.375 6.216 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.418 7.627 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 415 4.123 6.336 -1.548 1.00 0.00 H new ATOM 783 N GLU A 416 1.746 6.389 2.568 1.00 0.00 N ATOM 784 CA GLU A 416 1.508 7.370 3.620 1.00 0.00 C ATOM 785 C GLU A 416 2.534 7.225 4.741 1.00 0.00 C ATOM 786 O GLU A 416 3.306 8.145 5.012 1.00 0.00 O ATOM 787 CB GLU A 416 0.095 7.212 4.185 1.00 0.00 C ATOM 788 CG GLU A 416 -1.000 7.430 3.155 1.00 0.00 C ATOM 789 CD GLU A 416 -0.793 8.693 2.342 1.00 0.00 C ATOM 790 OE1 GLU A 416 -1.139 9.783 2.843 1.00 0.00 O ATOM 791 OE2 GLU A 416 -0.287 8.592 1.205 1.00 0.00 O ATOM 0 H GLU A 416 0.978 5.735 2.419 1.00 0.00 H new ATOM 0 HA GLU A 416 1.609 8.364 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.009 6.212 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.041 7.919 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.038 6.572 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.964 7.482 3.661 1.00 0.00 H new ATOM 798 N ASP A 417 2.536 6.065 5.387 1.00 0.00 N ATOM 799 CA ASP A 417 3.467 5.798 6.478 1.00 0.00 C ATOM 800 C ASP A 417 4.907 6.023 6.030 1.00 0.00 C ATOM 801 O ASP A 417 5.710 6.609 6.756 1.00 0.00 O ATOM 802 CB ASP A 417 3.295 4.366 6.985 1.00 0.00 C ATOM 803 CG ASP A 417 3.805 4.187 8.401 1.00 0.00 C ATOM 804 OD1 ASP A 417 4.756 4.901 8.783 1.00 0.00 O ATOM 805 OD2 ASP A 417 3.254 3.334 9.128 1.00 0.00 O ATOM 0 H ASP A 417 1.903 5.294 5.175 1.00 0.00 H new ATOM 0 HA ASP A 417 3.246 6.491 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.240 4.094 6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.826 3.683 6.322 1.00 0.00 H new ATOM 810 N VAL A 418 5.229 5.552 4.829 1.00 0.00 N ATOM 811 CA VAL A 418 6.573 5.702 4.283 1.00 0.00 C ATOM 812 C VAL A 418 6.901 7.168 4.026 1.00 0.00 C ATOM 813 O VAL A 418 6.202 7.849 3.276 1.00 0.00 O ATOM 814 CB VAL A 418 6.737 4.912 2.971 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.134 5.107 2.402 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.446 3.436 3.198 1.00 0.00 C ATOM 0 H VAL A 418 4.577 5.063 4.215 1.00 0.00 H new ATOM 0 HA VAL A 418 7.263 5.304 5.027 1.00 0.00 H new ATOM 0 HB VAL A 418 6.018 5.293 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.232 4.542 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.300 6.165 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.873 4.754 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.567 2.893 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.139 3.038 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.424 3.318 3.557 1.00 0.00 H new ATOM 826 N ASP A 419 7.970 7.648 4.652 1.00 0.00 N ATOM 827 CA ASP A 419 8.393 9.034 4.490 1.00 0.00 C ATOM 828 C ASP A 419 8.439 9.419 3.014 1.00 0.00 C ATOM 829 O ASP A 419 8.713 8.596 2.141 1.00 0.00 O ATOM 830 CB ASP A 419 9.767 9.248 5.128 1.00 0.00 C ATOM 831 CG ASP A 419 9.703 9.276 6.642 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.371 8.232 7.241 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.985 10.342 7.229 1.00 0.00 O ATOM 0 H ASP A 419 8.559 7.098 5.276 1.00 0.00 H new ATOM 0 HA ASP A 419 7.665 9.671 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.440 8.452 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.190 10.186 4.768 1.00 0.00 H new ATOM 838 N PRO A 420 8.163 10.700 2.728 1.00 0.00 N ATOM 839 CA PRO A 420 8.165 11.223 1.359 1.00 0.00 C ATOM 840 C PRO A 420 9.569 11.291 0.766 1.00 0.00 C ATOM 841 O PRO A 420 9.782 10.930 -0.391 1.00 0.00 O ATOM 842 CB PRO A 420 7.583 12.630 1.516 1.00 0.00 C ATOM 843 CG PRO A 420 7.886 13.011 2.924 1.00 0.00 C ATOM 844 CD PRO A 420 7.828 11.736 3.719 1.00 0.00 C ATOM 0 HA PRO A 420 7.600 10.586 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 420 8.037 13.327 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.510 12.638 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.870 13.474 3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 420 7.163 13.736 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.538 11.746 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.840 11.576 4.149 1.00 0.00 H new ATOM 852 N ALA A 421 10.522 11.755 1.567 1.00 0.00 N ATOM 853 CA ALA A 421 11.906 11.867 1.122 1.00 0.00 C ATOM 854 C ALA A 421 12.428 10.529 0.611 1.00 0.00 C ATOM 855 O ALA A 421 12.866 10.418 -0.535 1.00 0.00 O ATOM 856 CB ALA A 421 12.784 12.381 2.254 1.00 0.00 C ATOM 0 H ALA A 421 10.361 12.059 2.527 1.00 0.00 H new ATOM 0 HA ALA A 421 11.941 12.579 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.815 12.460 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.432 13.363 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.735 11.689 3.095 1.00 0.00 H new ATOM 862 N LYS A 422 12.380 9.514 1.467 1.00 0.00 N ATOM 863 CA LYS A 422 12.848 8.182 1.102 1.00 0.00 C ATOM 864 C LYS A 422 12.186 7.707 -0.187 1.00 0.00 C ATOM 865 O LYS A 422 12.849 7.178 -1.079 1.00 0.00 O ATOM 866 CB LYS A 422 12.559 7.191 2.232 1.00 0.00 C ATOM 867 CG LYS A 422 13.685 7.079 3.245 1.00 0.00 C ATOM 868 CD LYS A 422 13.867 8.373 4.021 1.00 0.00 C ATOM 869 CE LYS A 422 13.086 8.354 5.327 1.00 0.00 C ATOM 870 NZ LYS A 422 13.912 7.853 6.460 1.00 0.00 N ATOM 0 H LYS A 422 12.021 9.588 2.419 1.00 0.00 H new ATOM 0 HA LYS A 422 13.924 8.234 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.648 7.495 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.369 6.208 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.473 6.265 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.613 6.827 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.925 8.527 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 422 13.537 9.214 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 422 12.732 9.360 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 422 12.204 7.723 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 13.290 7.567 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.472 7.035 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.551 8.607 6.784 1.00 0.00 H new ATOM 884 N VAL A 423 10.874 7.899 -0.279 1.00 0.00 N ATOM 885 CA VAL A 423 10.122 7.493 -1.460 1.00 0.00 C ATOM 886 C VAL A 423 10.589 8.252 -2.697 1.00 0.00 C ATOM 887 O VAL A 423 10.785 7.666 -3.762 1.00 0.00 O ATOM 888 CB VAL A 423 8.611 7.723 -1.270 1.00 0.00 C ATOM 889 CG1 VAL A 423 7.892 7.683 -2.611 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.031 6.691 -0.315 1.00 0.00 C ATOM 0 H VAL A 423 10.310 8.334 0.451 1.00 0.00 H new ATOM 0 HA VAL A 423 10.305 6.428 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 423 8.464 8.711 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 423 6.826 7.847 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.289 8.463 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.045 6.710 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.963 6.869 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.189 5.691 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.526 6.772 0.653 1.00 0.00 H new ATOM 900 N LYS A 424 10.767 9.560 -2.549 1.00 0.00 N ATOM 901 CA LYS A 424 11.214 10.402 -3.653 1.00 0.00 C ATOM 902 C LYS A 424 12.542 9.904 -4.213 1.00 0.00 C ATOM 903 O LYS A 424 12.654 9.612 -5.403 1.00 0.00 O ATOM 904 CB LYS A 424 11.354 11.853 -3.190 1.00 0.00 C ATOM 905 CG LYS A 424 11.908 12.781 -4.258 1.00 0.00 C ATOM 906 CD LYS A 424 12.027 14.208 -3.750 1.00 0.00 C ATOM 907 CE LYS A 424 13.232 14.376 -2.838 1.00 0.00 C ATOM 908 NZ LYS A 424 13.102 15.574 -1.961 1.00 0.00 N ATOM 0 H LYS A 424 10.609 10.061 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 424 10.465 10.351 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.378 12.220 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.007 11.886 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 424 12.887 12.425 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.259 12.758 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 424 12.111 14.891 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 424 11.120 14.480 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 424 13.347 13.485 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 424 14.135 14.464 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 13.943 15.653 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 13.017 16.427 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 12.254 15.478 -1.366 1.00 0.00 H new ATOM 922 N GLU A 425 13.546 9.809 -3.347 1.00 0.00 N ATOM 923 CA GLU A 425 14.867 9.347 -3.757 1.00 0.00 C ATOM 924 C GLU A 425 14.756 8.159 -4.709 1.00 0.00 C ATOM 925 O GLU A 425 15.177 8.234 -5.864 1.00 0.00 O ATOM 926 CB GLU A 425 15.698 8.956 -2.533 1.00 0.00 C ATOM 927 CG GLU A 425 17.197 9.017 -2.771 1.00 0.00 C ATOM 928 CD GLU A 425 17.712 10.438 -2.891 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.530 11.217 -1.932 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.296 10.771 -3.943 1.00 0.00 O ATOM 0 H GLU A 425 13.470 10.046 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 425 15.364 10.165 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.443 9.617 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.428 7.945 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.712 8.516 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.439 8.469 -3.682 1.00 0.00 H new ATOM 937 N PHE A 426 14.186 7.064 -4.217 1.00 0.00 N ATOM 938 CA PHE A 426 14.021 5.860 -5.022 1.00 0.00 C ATOM 939 C PHE A 426 13.426 6.196 -6.386 1.00 0.00 C ATOM 940 O PHE A 426 13.879 5.692 -7.413 1.00 0.00 O ATOM 941 CB PHE A 426 13.125 4.854 -4.296 1.00 0.00 C ATOM 942 CG PHE A 426 12.556 3.797 -5.199 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.284 2.657 -5.497 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.293 3.945 -5.750 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.763 1.682 -6.327 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.767 2.973 -6.580 1.00 0.00 C ATOM 947 CZ PHE A 426 11.503 1.841 -6.870 1.00 0.00 C ATOM 0 H PHE A 426 13.831 6.986 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 426 15.005 5.416 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.699 4.373 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.306 5.389 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.270 2.528 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.714 4.829 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.340 0.797 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.781 3.099 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.094 1.082 -7.520 1.00 0.00 H new ATOM 957 N GLU A 427 12.407 7.051 -6.387 1.00 0.00 N ATOM 958 CA GLU A 427 11.749 7.453 -7.625 1.00 0.00 C ATOM 959 C GLU A 427 12.731 8.153 -8.560 1.00 0.00 C ATOM 960 O GLU A 427 12.665 7.994 -9.779 1.00 0.00 O ATOM 961 CB GLU A 427 10.567 8.376 -7.323 1.00 0.00 C ATOM 962 CG GLU A 427 9.449 7.700 -6.549 1.00 0.00 C ATOM 963 CD GLU A 427 8.485 6.952 -7.450 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.873 5.891 -7.982 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.343 7.428 -7.622 1.00 0.00 O ATOM 0 H GLU A 427 12.020 7.478 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 427 11.381 6.554 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.924 9.235 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.167 8.759 -8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.880 7.005 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.901 8.451 -5.980 1.00 0.00 H new ATOM 972 N SER A 428 13.640 8.930 -7.980 1.00 0.00 N ATOM 973 CA SER A 428 14.633 9.659 -8.761 1.00 0.00 C ATOM 974 C SER A 428 15.298 8.744 -9.784 1.00 0.00 C ATOM 975 O SER A 428 15.817 9.204 -10.802 1.00 0.00 O ATOM 976 CB SER A 428 15.691 10.267 -7.839 1.00 0.00 C ATOM 977 OG SER A 428 16.319 11.381 -8.449 1.00 0.00 O ATOM 0 H SER A 428 13.710 9.071 -6.972 1.00 0.00 H new ATOM 0 HA SER A 428 14.123 10.461 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.228 10.575 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.439 9.514 -7.592 1.00 0.00 H new ATOM 0 HG SER A 428 16.990 11.753 -7.839 1.00 0.00 H new ATOM 983 N LEU A 429 15.280 7.445 -9.507 1.00 0.00 N ATOM 984 CA LEU A 429 15.881 6.462 -10.402 1.00 0.00 C ATOM 985 C LEU A 429 14.876 5.994 -11.450 1.00 0.00 C ATOM 986 O LEU A 429 14.964 6.370 -12.618 1.00 0.00 O ATOM 987 CB LEU A 429 16.398 5.265 -9.603 1.00 0.00 C ATOM 988 CG LEU A 429 16.560 3.959 -10.382 1.00 0.00 C ATOM 989 CD1 LEU A 429 17.580 4.125 -11.497 1.00 0.00 C ATOM 990 CD2 LEU A 429 16.968 2.828 -9.448 1.00 0.00 C ATOM 0 H LEU A 429 14.855 7.048 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 429 16.718 6.937 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 429 17.364 5.530 -9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 429 15.716 5.087 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 429 15.600 3.705 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 429 17.682 3.185 -12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 429 17.247 4.905 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 429 18.544 4.403 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 429 17.079 1.906 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 429 17.916 3.075 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 429 16.202 2.692 -8.685 1.00 0.00 H new ATOM 1002 N GLN A 430 13.922 5.173 -11.022 1.00 0.00 N ATOM 1003 CA GLN A 430 12.900 4.655 -11.923 1.00 0.00 C ATOM 1004 C GLN A 430 12.379 5.753 -12.844 1.00 0.00 C ATOM 1005 O GLN A 430 12.189 6.894 -12.422 1.00 0.00 O ATOM 1006 CB GLN A 430 11.744 4.051 -11.124 1.00 0.00 C ATOM 1007 CG GLN A 430 10.686 5.067 -10.723 1.00 0.00 C ATOM 1008 CD GLN A 430 9.688 5.338 -11.831 1.00 0.00 C ATOM 1009 OE1 GLN A 430 9.654 6.431 -12.398 1.00 0.00 O ATOM 1010 NE2 GLN A 430 8.867 4.343 -12.145 1.00 0.00 N ATOM 0 H GLN A 430 13.836 4.853 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 430 13.353 3.877 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 430 11.275 3.265 -11.716 1.00 0.00 H new ATOM 0 HB3 GLN A 430 12.142 3.579 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 430 10.156 4.705 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.173 6.001 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 430 8.930 3.454 -11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 430 8.173 4.468 -12.882 1.00 0.00 H new ATOM 1019 N VAL A 431 12.149 5.402 -14.105 1.00 0.00 N ATOM 1020 CA VAL A 431 11.649 6.357 -15.086 1.00 0.00 C ATOM 1021 C VAL A 431 10.255 5.972 -15.567 1.00 0.00 C ATOM 1022 O VAL A 431 9.887 6.233 -16.713 1.00 0.00 O ATOM 1023 CB VAL A 431 12.590 6.458 -16.302 1.00 0.00 C ATOM 1024 CG1 VAL A 431 13.972 6.924 -15.871 1.00 0.00 C ATOM 1025 CG2 VAL A 431 12.669 5.122 -17.025 1.00 0.00 C ATOM 0 H VAL A 431 12.301 4.462 -14.471 1.00 0.00 H new ATOM 0 HA VAL A 431 11.604 7.326 -14.589 1.00 0.00 H new ATOM 0 HB VAL A 431 12.185 7.196 -16.994 1.00 0.00 H new ATOM 0 HG11 VAL A 431 14.622 6.989 -16.743 1.00 0.00 H new ATOM 0 HG12 VAL A 431 13.895 7.905 -15.401 1.00 0.00 H new ATOM 0 HG13 VAL A 431 14.390 6.213 -15.159 1.00 0.00 H new ATOM 0 HG21 VAL A 431 13.338 5.211 -17.881 1.00 0.00 H new ATOM 0 HG22 VAL A 431 13.051 4.362 -16.344 1.00 0.00 H new ATOM 0 HG23 VAL A 431 11.675 4.835 -17.369 1.00 0.00 H new TER 1035 VAL A 431