USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 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 : no HD1:sc= 0 K(o=0,f=0.59) USER MOD Set 1.2: A 396 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 386 THR OG1 : rot 180:sc= -0.0101 USER MOD Set 2.2: A 397 HIS : no HD1:sc= -2.01! X(o=-2!,f=-1.6) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 34:sc= 0.445 USER MOD Single : A 371 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0233) USER MOD Single : A 391 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot -147:sc= 0.33 USER MOD Single : A 401 LYS NZ :NH3+ -141:sc= -1.35 (180deg=-2.52!) USER MOD Single : A 403 CYS SG : rot 180:sc= -0.0158 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 17:sc= 0.87 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 422 LYS NZ :NH3+ -109:sc= -1.64! (180deg=-4.45!) USER MOD Single : A 424 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 430 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 11.000 25.475 28.894 1.00 0.00 N ATOM 2 CA GLY A 364 11.218 25.299 27.470 1.00 0.00 C ATOM 3 C GLY A 364 12.494 24.539 27.169 1.00 0.00 C ATOM 4 O GLY A 364 12.453 23.370 26.784 1.00 0.00 O ATOM 0 HA2 GLY A 364 10.371 24.766 27.039 1.00 0.00 H new ATOM 0 HA3 GLY A 364 11.258 26.276 26.988 1.00 0.00 H new ATOM 8 N SER A 365 13.632 25.204 27.341 1.00 0.00 N ATOM 9 CA SER A 365 14.926 24.586 27.079 1.00 0.00 C ATOM 10 C SER A 365 15.217 23.484 28.094 1.00 0.00 C ATOM 11 O SER A 365 15.257 23.731 29.300 1.00 0.00 O ATOM 12 CB SER A 365 16.035 25.638 27.119 1.00 0.00 C ATOM 13 OG SER A 365 15.795 26.669 26.177 1.00 0.00 O ATOM 0 H SER A 365 13.684 26.171 27.661 1.00 0.00 H new ATOM 0 HA SER A 365 14.894 24.141 26.085 1.00 0.00 H new ATOM 0 HB2 SER A 365 16.100 26.064 28.120 1.00 0.00 H new ATOM 0 HB3 SER A 365 16.995 25.167 26.910 1.00 0.00 H new ATOM 0 HG SER A 365 16.517 27.330 26.224 1.00 0.00 H new ATOM 19 N SER A 366 15.420 22.269 27.597 1.00 0.00 N ATOM 20 CA SER A 366 15.704 21.128 28.459 1.00 0.00 C ATOM 21 C SER A 366 16.865 20.305 27.908 1.00 0.00 C ATOM 22 O SER A 366 17.394 20.598 26.837 1.00 0.00 O ATOM 23 CB SER A 366 14.462 20.247 28.601 1.00 0.00 C ATOM 24 OG SER A 366 14.274 19.441 27.450 1.00 0.00 O ATOM 0 H SER A 366 15.393 22.049 26.601 1.00 0.00 H new ATOM 0 HA SER A 366 15.985 21.508 29.441 1.00 0.00 H new ATOM 0 HB2 SER A 366 14.562 19.612 29.481 1.00 0.00 H new ATOM 0 HB3 SER A 366 13.584 20.873 28.758 1.00 0.00 H new ATOM 0 HG SER A 366 13.475 18.886 27.566 1.00 0.00 H new ATOM 30 N GLY A 367 17.255 19.273 28.649 1.00 0.00 N ATOM 31 CA GLY A 367 18.351 18.423 28.219 1.00 0.00 C ATOM 32 C GLY A 367 18.339 18.174 26.724 1.00 0.00 C ATOM 33 O GLY A 367 18.952 18.918 25.959 1.00 0.00 O ATOM 0 H GLY A 367 16.832 19.010 29.539 1.00 0.00 H new ATOM 0 HA2 GLY A 367 19.297 18.886 28.500 1.00 0.00 H new ATOM 0 HA3 GLY A 367 18.295 17.469 28.744 1.00 0.00 H new ATOM 37 N SER A 368 17.640 17.123 26.306 1.00 0.00 N ATOM 38 CA SER A 368 17.555 16.775 24.892 1.00 0.00 C ATOM 39 C SER A 368 16.101 16.662 24.447 1.00 0.00 C ATOM 40 O SER A 368 15.259 16.125 25.167 1.00 0.00 O ATOM 41 CB SER A 368 18.286 15.457 24.626 1.00 0.00 C ATOM 42 OG SER A 368 19.657 15.681 24.347 1.00 0.00 O ATOM 0 H SER A 368 17.125 16.498 26.926 1.00 0.00 H new ATOM 0 HA SER A 368 18.031 17.570 24.318 1.00 0.00 H new ATOM 0 HB2 SER A 368 18.190 14.803 25.493 1.00 0.00 H new ATOM 0 HB3 SER A 368 17.820 14.942 23.786 1.00 0.00 H new ATOM 0 HG SER A 368 20.102 14.823 24.182 1.00 0.00 H new ATOM 48 N SER A 369 15.812 17.173 23.254 1.00 0.00 N ATOM 49 CA SER A 369 14.459 17.134 22.713 1.00 0.00 C ATOM 50 C SER A 369 14.422 16.361 21.398 1.00 0.00 C ATOM 51 O SER A 369 14.992 16.790 20.396 1.00 0.00 O ATOM 52 CB SER A 369 13.932 18.555 22.497 1.00 0.00 C ATOM 53 OG SER A 369 14.801 19.299 21.660 1.00 0.00 O ATOM 0 H SER A 369 16.497 17.619 22.644 1.00 0.00 H new ATOM 0 HA SER A 369 13.821 16.623 23.434 1.00 0.00 H new ATOM 0 HB2 SER A 369 12.939 18.514 22.050 1.00 0.00 H new ATOM 0 HB3 SER A 369 13.829 19.058 23.458 1.00 0.00 H new ATOM 0 HG SER A 369 15.208 18.702 20.998 1.00 0.00 H new ATOM 59 N GLY A 370 13.745 15.216 21.411 1.00 0.00 N ATOM 60 CA GLY A 370 13.646 14.400 20.215 1.00 0.00 C ATOM 61 C GLY A 370 12.209 14.147 19.804 1.00 0.00 C ATOM 62 O GLY A 370 11.286 14.752 20.346 1.00 0.00 O ATOM 0 H GLY A 370 13.264 14.840 22.228 1.00 0.00 H new ATOM 0 HA2 GLY A 370 14.173 14.893 19.398 1.00 0.00 H new ATOM 0 HA3 GLY A 370 14.145 13.446 20.387 1.00 0.00 H new ATOM 66 N ASN A 371 12.020 13.250 18.842 1.00 0.00 N ATOM 67 CA ASN A 371 10.685 12.919 18.357 1.00 0.00 C ATOM 68 C ASN A 371 10.227 11.570 18.902 1.00 0.00 C ATOM 69 O ASN A 371 11.014 10.637 19.061 1.00 0.00 O ATOM 70 CB ASN A 371 10.666 12.896 16.827 1.00 0.00 C ATOM 71 CG ASN A 371 11.283 14.143 16.223 1.00 0.00 C ATOM 72 OD1 ASN A 371 11.066 15.254 16.707 1.00 0.00 O ATOM 73 ND2 ASN A 371 12.058 13.964 15.159 1.00 0.00 N ATOM 0 H ASN A 371 12.774 12.739 18.383 1.00 0.00 H new ATOM 0 HA ASN A 371 9.997 13.687 18.711 1.00 0.00 H new ATOM 0 HB2 ASN A 371 11.206 12.018 16.473 1.00 0.00 H new ATOM 0 HB3 ASN A 371 9.637 12.798 16.480 1.00 0.00 H new ATOM 0 HD21 ASN A 371 12.501 14.766 14.710 1.00 0.00 H new ATOM 0 HD22 ASN A 371 12.210 13.025 14.791 1.00 0.00 H new ATOM 80 N PRO A 372 8.922 11.462 19.195 1.00 0.00 N ATOM 81 CA PRO A 372 8.329 10.231 19.726 1.00 0.00 C ATOM 82 C PRO A 372 8.288 9.114 18.689 1.00 0.00 C ATOM 83 O PRO A 372 8.456 7.940 19.021 1.00 0.00 O ATOM 84 CB PRO A 372 6.910 10.658 20.109 1.00 0.00 C ATOM 85 CG PRO A 372 6.615 11.825 19.231 1.00 0.00 C ATOM 86 CD PRO A 372 7.926 12.534 19.031 1.00 0.00 C ATOM 0 HA PRO A 372 8.906 9.826 20.557 1.00 0.00 H new ATOM 0 HB2 PRO A 372 6.196 9.850 19.947 1.00 0.00 H new ATOM 0 HB3 PRO A 372 6.849 10.930 21.163 1.00 0.00 H new ATOM 0 HG2 PRO A 372 6.197 11.501 18.278 1.00 0.00 H new ATOM 0 HG3 PRO A 372 5.881 12.485 19.693 1.00 0.00 H new ATOM 0 HD2 PRO A 372 7.988 12.993 18.044 1.00 0.00 H new ATOM 0 HD3 PRO A 372 8.068 13.330 19.762 1.00 0.00 H new ATOM 94 N ASP A 373 8.065 9.486 17.434 1.00 0.00 N ATOM 95 CA ASP A 373 8.004 8.514 16.348 1.00 0.00 C ATOM 96 C ASP A 373 9.169 7.534 16.430 1.00 0.00 C ATOM 97 O ASP A 373 10.333 7.932 16.378 1.00 0.00 O ATOM 98 CB ASP A 373 8.016 9.228 14.995 1.00 0.00 C ATOM 99 CG ASP A 373 7.296 10.562 15.038 1.00 0.00 C ATOM 100 OD1 ASP A 373 6.185 10.618 15.606 1.00 0.00 O ATOM 101 OD2 ASP A 373 7.843 11.549 14.503 1.00 0.00 O ATOM 0 H ASP A 373 7.923 10.453 17.143 1.00 0.00 H new ATOM 0 HA ASP A 373 7.074 7.954 16.446 1.00 0.00 H new ATOM 0 HB2 ASP A 373 9.047 9.385 14.679 1.00 0.00 H new ATOM 0 HB3 ASP A 373 7.547 8.589 14.246 1.00 0.00 H new ATOM 106 N TYR A 374 8.849 6.251 16.559 1.00 0.00 N ATOM 107 CA TYR A 374 9.869 5.214 16.652 1.00 0.00 C ATOM 108 C TYR A 374 9.992 4.452 15.336 1.00 0.00 C ATOM 109 O TYR A 374 9.242 3.511 15.078 1.00 0.00 O ATOM 110 CB TYR A 374 9.538 4.244 17.787 1.00 0.00 C ATOM 111 CG TYR A 374 10.404 3.005 17.797 1.00 0.00 C ATOM 112 CD1 TYR A 374 11.610 2.981 18.487 1.00 0.00 C ATOM 113 CD2 TYR A 374 10.017 1.857 17.117 1.00 0.00 C ATOM 114 CE1 TYR A 374 12.405 1.852 18.498 1.00 0.00 C ATOM 115 CE2 TYR A 374 10.805 0.722 17.123 1.00 0.00 C ATOM 116 CZ TYR A 374 11.998 0.725 17.815 1.00 0.00 C ATOM 117 OH TYR A 374 12.786 -0.403 17.824 1.00 0.00 O ATOM 0 H TYR A 374 7.891 5.905 16.602 1.00 0.00 H new ATOM 0 HA TYR A 374 10.824 5.696 16.862 1.00 0.00 H new ATOM 0 HB2 TYR A 374 9.648 4.762 18.740 1.00 0.00 H new ATOM 0 HB3 TYR A 374 8.493 3.946 17.705 1.00 0.00 H new ATOM 0 HD1 TYR A 374 11.931 3.861 19.024 1.00 0.00 H new ATOM 0 HD2 TYR A 374 9.083 1.852 16.574 1.00 0.00 H new ATOM 0 HE1 TYR A 374 13.340 1.851 19.038 1.00 0.00 H new ATOM 0 HE2 TYR A 374 10.489 -0.162 16.589 1.00 0.00 H new ATOM 0 HH TYR A 374 12.355 -1.107 17.296 1.00 0.00 H new ATOM 127 N VAL A 375 10.946 4.865 14.508 1.00 0.00 N ATOM 128 CA VAL A 375 11.170 4.221 13.219 1.00 0.00 C ATOM 129 C VAL A 375 12.480 4.687 12.593 1.00 0.00 C ATOM 130 O VAL A 375 12.836 5.861 12.678 1.00 0.00 O ATOM 131 CB VAL A 375 10.016 4.507 12.240 1.00 0.00 C ATOM 132 CG1 VAL A 375 9.962 5.988 11.895 1.00 0.00 C ATOM 133 CG2 VAL A 375 10.163 3.664 10.982 1.00 0.00 C ATOM 0 H VAL A 375 11.576 5.642 14.707 1.00 0.00 H new ATOM 0 HA VAL A 375 11.220 3.148 13.406 1.00 0.00 H new ATOM 0 HB VAL A 375 9.078 4.237 12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 375 9.140 6.170 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 375 9.805 6.568 12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 375 10.901 6.288 11.431 1.00 0.00 H new ATOM 0 HG21 VAL A 375 9.339 3.879 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 375 11.108 3.901 10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 375 10.147 2.607 11.248 1.00 0.00 H new ATOM 143 N GLU A 376 13.192 3.757 11.964 1.00 0.00 N ATOM 144 CA GLU A 376 14.464 4.073 11.323 1.00 0.00 C ATOM 145 C GLU A 376 14.502 3.536 9.896 1.00 0.00 C ATOM 146 O GLU A 376 15.059 2.468 9.637 1.00 0.00 O ATOM 147 CB GLU A 376 15.626 3.491 12.131 1.00 0.00 C ATOM 148 CG GLU A 376 16.983 3.698 11.480 1.00 0.00 C ATOM 149 CD GLU A 376 17.613 5.026 11.854 1.00 0.00 C ATOM 150 OE1 GLU A 376 17.609 5.366 13.056 1.00 0.00 O ATOM 151 OE2 GLU A 376 18.110 5.724 10.946 1.00 0.00 O ATOM 0 H GLU A 376 12.910 2.780 11.884 1.00 0.00 H new ATOM 0 HA GLU A 376 14.564 5.158 11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 376 15.634 3.947 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 376 15.460 2.423 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 376 17.650 2.888 11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 376 16.874 3.644 10.397 1.00 0.00 H new ATOM 158 N VAL A 377 13.906 4.282 8.972 1.00 0.00 N ATOM 159 CA VAL A 377 13.872 3.882 7.570 1.00 0.00 C ATOM 160 C VAL A 377 15.222 4.111 6.900 1.00 0.00 C ATOM 161 O VAL A 377 15.539 5.226 6.483 1.00 0.00 O ATOM 162 CB VAL A 377 12.788 4.653 6.793 1.00 0.00 C ATOM 163 CG1 VAL A 377 12.799 4.254 5.325 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.418 4.412 7.409 1.00 0.00 C ATOM 0 H VAL A 377 13.440 5.168 9.169 1.00 0.00 H new ATOM 0 HA VAL A 377 13.636 2.818 7.550 1.00 0.00 H new ATOM 0 HB VAL A 377 13.007 5.719 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.027 4.808 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.773 4.482 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.604 3.185 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 377 10.664 4.964 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.187 3.347 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.420 4.752 8.445 1.00 0.00 H new ATOM 174 N ASP A 378 16.014 3.050 6.800 1.00 0.00 N ATOM 175 CA ASP A 378 17.331 3.134 6.179 1.00 0.00 C ATOM 176 C ASP A 378 17.212 3.472 4.697 1.00 0.00 C ATOM 177 O ASP A 378 17.884 4.377 4.200 1.00 0.00 O ATOM 178 CB ASP A 378 18.086 1.816 6.355 1.00 0.00 C ATOM 179 CG ASP A 378 19.580 1.972 6.147 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.281 2.318 7.120 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.048 1.749 5.011 1.00 0.00 O ATOM 0 H ASP A 378 15.767 2.121 7.141 1.00 0.00 H new ATOM 0 HA ASP A 378 17.888 3.931 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 378 17.900 1.425 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.699 1.082 5.649 1.00 0.00 H new ATOM 186 N ARG A 379 16.354 2.739 3.995 1.00 0.00 N ATOM 187 CA ARG A 379 16.149 2.960 2.568 1.00 0.00 C ATOM 188 C ARG A 379 15.031 2.068 2.035 1.00 0.00 C ATOM 189 O ARG A 379 14.505 1.219 2.755 1.00 0.00 O ATOM 190 CB ARG A 379 17.442 2.690 1.798 1.00 0.00 C ATOM 191 CG ARG A 379 17.881 1.236 1.834 1.00 0.00 C ATOM 192 CD ARG A 379 19.096 0.998 0.951 1.00 0.00 C ATOM 193 NE ARG A 379 18.844 1.372 -0.438 1.00 0.00 N ATOM 194 CZ ARG A 379 18.984 2.608 -0.903 1.00 0.00 C ATOM 195 NH1 ARG A 379 19.372 3.584 -0.094 1.00 0.00 N ATOM 196 NH2 ARG A 379 18.736 2.870 -2.180 1.00 0.00 N ATOM 0 H ARG A 379 15.790 1.987 4.391 1.00 0.00 H new ATOM 0 HA ARG A 379 15.859 4.001 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.307 2.994 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.237 3.311 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.114 0.951 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.060 0.599 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.940 1.572 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.378 -0.054 0.998 1.00 0.00 H new ATOM 0 HE ARG A 379 18.544 0.644 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 379 19.564 3.386 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 379 19.479 4.532 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 379 18.437 2.122 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 379 18.844 3.820 -2.536 1.00 0.00 H new ATOM 210 N ILE A 380 14.674 2.268 0.771 1.00 0.00 N ATOM 211 CA ILE A 380 13.620 1.482 0.142 1.00 0.00 C ATOM 212 C ILE A 380 14.198 0.492 -0.863 1.00 0.00 C ATOM 213 O ILE A 380 15.156 0.800 -1.573 1.00 0.00 O ATOM 214 CB ILE A 380 12.595 2.383 -0.572 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.750 3.143 0.453 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.708 1.554 -1.488 1.00 0.00 C ATOM 217 CD1 ILE A 380 10.645 3.968 -0.169 1.00 0.00 C ATOM 0 H ILE A 380 15.099 2.968 0.162 1.00 0.00 H new ATOM 0 HA ILE A 380 13.117 0.935 0.939 1.00 0.00 H new ATOM 0 HB ILE A 380 13.134 3.109 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.311 2.430 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.399 3.798 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.989 2.205 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.324 1.055 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.175 0.807 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.087 4.479 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.078 4.705 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 380 9.973 3.315 -0.726 1.00 0.00 H new ATOM 229 N LEU A 381 13.607 -0.697 -0.921 1.00 0.00 N ATOM 230 CA LEU A 381 14.062 -1.733 -1.842 1.00 0.00 C ATOM 231 C LEU A 381 13.314 -1.648 -3.169 1.00 0.00 C ATOM 232 O LEU A 381 13.894 -1.302 -4.197 1.00 0.00 O ATOM 233 CB LEU A 381 13.867 -3.117 -1.221 1.00 0.00 C ATOM 234 CG LEU A 381 14.922 -3.550 -0.202 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.418 -4.726 0.620 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.224 -3.907 -0.903 1.00 0.00 C ATOM 0 H LEU A 381 12.812 -0.967 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 381 15.123 -1.574 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.891 -3.142 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.843 -3.853 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 381 15.112 -2.716 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.182 -5.021 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.511 -4.437 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.199 -5.565 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.964 -4.213 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.049 -4.726 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.594 -3.039 -1.448 1.00 0.00 H new ATOM 248 N GLU A 382 12.024 -1.965 -3.136 1.00 0.00 N ATOM 249 CA GLU A 382 11.197 -1.923 -4.337 1.00 0.00 C ATOM 250 C GLU A 382 9.787 -1.439 -4.010 1.00 0.00 C ATOM 251 O GLU A 382 9.435 -1.258 -2.844 1.00 0.00 O ATOM 252 CB GLU A 382 11.135 -3.306 -4.989 1.00 0.00 C ATOM 253 CG GLU A 382 12.252 -3.559 -5.987 1.00 0.00 C ATOM 254 CD GLU A 382 12.187 -4.946 -6.596 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.377 -5.148 -7.525 1.00 0.00 O ATOM 256 OE2 GLU A 382 12.945 -5.829 -6.144 1.00 0.00 O ATOM 0 H GLU A 382 11.529 -2.253 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 382 11.651 -1.220 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.176 -4.068 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.176 -3.418 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.200 -2.815 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 382 13.214 -3.429 -5.491 1.00 0.00 H new ATOM 263 N VAL A 383 8.984 -1.230 -5.048 1.00 0.00 N ATOM 264 CA VAL A 383 7.612 -0.768 -4.872 1.00 0.00 C ATOM 265 C VAL A 383 6.627 -1.688 -5.583 1.00 0.00 C ATOM 266 O VAL A 383 6.977 -2.358 -6.554 1.00 0.00 O ATOM 267 CB VAL A 383 7.432 0.667 -5.403 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.632 0.709 -6.910 1.00 0.00 C ATOM 269 CG2 VAL A 383 6.060 1.206 -5.024 1.00 0.00 C ATOM 0 H VAL A 383 9.260 -1.373 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 383 7.408 -0.781 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 383 8.188 1.303 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.501 1.731 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.638 0.366 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.901 0.060 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.949 2.221 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.287 0.569 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.960 1.215 -3.939 1.00 0.00 H new ATOM 279 N ALA A 384 5.392 -1.716 -5.093 1.00 0.00 N ATOM 280 CA ALA A 384 4.354 -2.552 -5.682 1.00 0.00 C ATOM 281 C ALA A 384 2.985 -1.891 -5.568 1.00 0.00 C ATOM 282 O ALA A 384 2.708 -1.177 -4.603 1.00 0.00 O ATOM 283 CB ALA A 384 4.339 -3.921 -5.018 1.00 0.00 C ATOM 0 H ALA A 384 5.086 -1.169 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 384 4.580 -2.676 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.559 -4.535 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.306 -4.404 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.141 -3.806 -3.952 1.00 0.00 H new ATOM 289 N HIS A 385 2.131 -2.133 -6.558 1.00 0.00 N ATOM 290 CA HIS A 385 0.790 -1.560 -6.567 1.00 0.00 C ATOM 291 C HIS A 385 -0.270 -2.658 -6.558 1.00 0.00 C ATOM 292 O HIS A 385 -0.262 -3.551 -7.407 1.00 0.00 O ATOM 293 CB HIS A 385 0.603 -0.666 -7.793 1.00 0.00 C ATOM 294 CG HIS A 385 1.422 0.588 -7.750 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.772 0.615 -8.030 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.074 1.863 -7.459 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.219 1.852 -7.911 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.208 2.629 -7.566 1.00 0.00 N ATOM 0 H HIS A 385 2.344 -2.721 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 385 0.673 -0.958 -5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.865 -1.231 -8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.450 -0.400 -7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.088 2.213 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.238 2.174 -8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.261 3.635 -7.405 1.00 0.00 H new ATOM 306 N THR A 386 -1.181 -2.587 -5.592 1.00 0.00 N ATOM 307 CA THR A 386 -2.245 -3.575 -5.471 1.00 0.00 C ATOM 308 C THR A 386 -3.549 -2.926 -5.022 1.00 0.00 C ATOM 309 O THR A 386 -3.560 -1.784 -4.561 1.00 0.00 O ATOM 310 CB THR A 386 -1.868 -4.687 -4.475 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.454 -4.910 -4.501 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.597 -5.981 -4.807 1.00 0.00 C ATOM 0 H THR A 386 -1.203 -1.855 -4.882 1.00 0.00 H new ATOM 0 HA THR A 386 -2.383 -4.014 -6.459 1.00 0.00 H new ATOM 0 HB THR A 386 -2.166 -4.366 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.223 -5.618 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.315 -6.752 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.673 -5.815 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.326 -6.304 -5.812 1.00 0.00 H new ATOM 320 N LYS A 387 -4.648 -3.660 -5.159 1.00 0.00 N ATOM 321 CA LYS A 387 -5.959 -3.157 -4.765 1.00 0.00 C ATOM 322 C LYS A 387 -6.555 -4.009 -3.649 1.00 0.00 C ATOM 323 O LYS A 387 -6.515 -5.238 -3.704 1.00 0.00 O ATOM 324 CB LYS A 387 -6.904 -3.140 -5.968 1.00 0.00 C ATOM 325 CG LYS A 387 -7.345 -4.523 -6.415 1.00 0.00 C ATOM 326 CD LYS A 387 -8.372 -4.447 -7.533 1.00 0.00 C ATOM 327 CE LYS A 387 -7.719 -4.135 -8.870 1.00 0.00 C ATOM 328 NZ LYS A 387 -7.028 -5.324 -9.441 1.00 0.00 N ATOM 0 H LYS A 387 -4.657 -4.606 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.834 -2.139 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.786 -2.550 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.410 -2.639 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.478 -5.090 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.768 -5.063 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.908 -5.394 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -9.110 -3.679 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -8.476 -3.784 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -7.002 -3.324 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -6.713 -5.111 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -6.204 -5.562 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -7.684 -6.131 -9.460 1.00 0.00 H new ATOM 342 N ASP A 388 -7.110 -3.348 -2.639 1.00 0.00 N ATOM 343 CA ASP A 388 -7.717 -4.045 -1.511 1.00 0.00 C ATOM 344 C ASP A 388 -8.703 -5.105 -1.994 1.00 0.00 C ATOM 345 O ASP A 388 -9.129 -5.090 -3.148 1.00 0.00 O ATOM 346 CB ASP A 388 -8.428 -3.050 -0.592 1.00 0.00 C ATOM 347 CG ASP A 388 -7.492 -2.434 0.429 1.00 0.00 C ATOM 348 OD1 ASP A 388 -6.603 -3.154 0.930 1.00 0.00 O ATOM 349 OD2 ASP A 388 -7.648 -1.232 0.727 1.00 0.00 O ATOM 0 H ASP A 388 -7.152 -2.331 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 388 -6.923 -4.541 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.875 -2.259 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.243 -3.556 -0.075 1.00 0.00 H new ATOM 354 N ALA A 389 -9.059 -6.024 -1.102 1.00 0.00 N ATOM 355 CA ALA A 389 -9.995 -7.090 -1.437 1.00 0.00 C ATOM 356 C ALA A 389 -11.389 -6.787 -0.898 1.00 0.00 C ATOM 357 O ALA A 389 -12.073 -7.673 -0.388 1.00 0.00 O ATOM 358 CB ALA A 389 -9.495 -8.421 -0.894 1.00 0.00 C ATOM 0 H ALA A 389 -8.714 -6.052 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.060 -7.154 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.204 -9.208 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -8.523 -8.650 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.400 -8.359 0.190 1.00 0.00 H new ATOM 364 N GLU A 390 -11.802 -5.529 -1.014 1.00 0.00 N ATOM 365 CA GLU A 390 -13.115 -5.110 -0.536 1.00 0.00 C ATOM 366 C GLU A 390 -13.920 -4.458 -1.657 1.00 0.00 C ATOM 367 O GLU A 390 -14.868 -5.046 -2.179 1.00 0.00 O ATOM 368 CB GLU A 390 -12.969 -4.135 0.634 1.00 0.00 C ATOM 369 CG GLU A 390 -12.830 -4.820 1.983 1.00 0.00 C ATOM 370 CD GLU A 390 -14.171 -5.125 2.623 1.00 0.00 C ATOM 371 OE1 GLU A 390 -14.790 -6.141 2.245 1.00 0.00 O ATOM 372 OE2 GLU A 390 -14.601 -4.347 3.500 1.00 0.00 O ATOM 0 H GLU A 390 -11.248 -4.783 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 390 -13.649 -5.997 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.096 -3.505 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.837 -3.477 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -12.271 -5.748 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -12.249 -4.184 2.651 1.00 0.00 H new ATOM 379 N THR A 391 -13.535 -3.239 -2.023 1.00 0.00 N ATOM 380 CA THR A 391 -14.221 -2.507 -3.080 1.00 0.00 C ATOM 381 C THR A 391 -13.357 -2.411 -4.332 1.00 0.00 C ATOM 382 O THR A 391 -13.862 -2.467 -5.453 1.00 0.00 O ATOM 383 CB THR A 391 -14.601 -1.086 -2.623 1.00 0.00 C ATOM 384 OG1 THR A 391 -13.535 -0.517 -1.854 1.00 0.00 O ATOM 385 CG2 THR A 391 -15.876 -1.107 -1.794 1.00 0.00 C ATOM 0 H THR A 391 -12.752 -2.738 -1.603 1.00 0.00 H new ATOM 0 HA THR A 391 -15.130 -3.062 -3.311 1.00 0.00 H new ATOM 0 HB THR A 391 -14.774 -0.477 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 391 -13.784 0.387 -1.569 1.00 0.00 H new ATOM 0 HG21 THR A 391 -16.124 -0.092 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.692 -1.513 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 391 -15.727 -1.731 -0.913 1.00 0.00 H new ATOM 393 N GLY A 392 -12.049 -2.268 -4.135 1.00 0.00 N ATOM 394 CA GLY A 392 -11.136 -2.168 -5.258 1.00 0.00 C ATOM 395 C GLY A 392 -10.386 -0.851 -5.279 1.00 0.00 C ATOM 396 O GLY A 392 -10.070 -0.327 -6.347 1.00 0.00 O ATOM 0 H GLY A 392 -11.606 -2.220 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.421 -2.989 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.694 -2.280 -6.187 1.00 0.00 H new ATOM 400 N GLU A 393 -10.100 -0.315 -4.097 1.00 0.00 N ATOM 401 CA GLU A 393 -9.385 0.951 -3.986 1.00 0.00 C ATOM 402 C GLU A 393 -7.900 0.764 -4.285 1.00 0.00 C ATOM 403 O GLU A 393 -7.361 -0.333 -4.143 1.00 0.00 O ATOM 404 CB GLU A 393 -9.563 1.541 -2.585 1.00 0.00 C ATOM 405 CG GLU A 393 -10.882 2.272 -2.397 1.00 0.00 C ATOM 406 CD GLU A 393 -11.046 3.437 -3.353 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.028 4.084 -3.678 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.190 3.702 -3.776 1.00 0.00 O ATOM 0 H GLU A 393 -10.352 -0.737 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.803 1.641 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.494 0.739 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.743 2.230 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.705 1.571 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -10.948 2.636 -1.372 1.00 0.00 H new ATOM 415 N GLU A 394 -7.246 1.844 -4.702 1.00 0.00 N ATOM 416 CA GLU A 394 -5.824 1.799 -5.023 1.00 0.00 C ATOM 417 C GLU A 394 -4.980 1.778 -3.753 1.00 0.00 C ATOM 418 O GLU A 394 -4.936 2.756 -3.006 1.00 0.00 O ATOM 419 CB GLU A 394 -5.436 3.000 -5.887 1.00 0.00 C ATOM 420 CG GLU A 394 -5.791 2.835 -7.355 1.00 0.00 C ATOM 421 CD GLU A 394 -7.288 2.747 -7.587 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.946 3.807 -7.622 1.00 0.00 O ATOM 423 OE2 GLU A 394 -7.799 1.617 -7.732 1.00 0.00 O ATOM 0 H GLU A 394 -7.678 2.760 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.632 0.882 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -5.932 3.890 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.363 3.169 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.388 3.676 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.314 1.935 -7.741 1.00 0.00 H new ATOM 430 N VAL A 395 -4.310 0.655 -3.513 1.00 0.00 N ATOM 431 CA VAL A 395 -3.466 0.505 -2.333 1.00 0.00 C ATOM 432 C VAL A 395 -2.009 0.287 -2.724 1.00 0.00 C ATOM 433 O VAL A 395 -1.603 -0.827 -3.056 1.00 0.00 O ATOM 434 CB VAL A 395 -3.932 -0.672 -1.455 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.019 -0.833 -0.250 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.375 -0.471 -1.018 1.00 0.00 C ATOM 0 H VAL A 395 -4.335 -0.164 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.552 1.430 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.879 -1.587 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.364 -1.669 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.001 -1.026 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.037 0.080 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.688 -1.312 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.456 0.452 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.016 -0.410 -1.897 1.00 0.00 H new ATOM 446 N THR A 396 -1.224 1.359 -2.682 1.00 0.00 N ATOM 447 CA THR A 396 0.189 1.286 -3.033 1.00 0.00 C ATOM 448 C THR A 396 1.032 0.874 -1.832 1.00 0.00 C ATOM 449 O THR A 396 0.913 1.449 -0.750 1.00 0.00 O ATOM 450 CB THR A 396 0.705 2.634 -3.569 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.079 3.046 -4.695 1.00 0.00 O ATOM 452 CG2 THR A 396 2.168 2.532 -3.974 1.00 0.00 C ATOM 0 H THR A 396 -1.543 2.288 -2.408 1.00 0.00 H new ATOM 0 HA THR A 396 0.282 0.533 -3.815 1.00 0.00 H new ATOM 0 HB THR A 396 0.616 3.374 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.254 3.905 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.510 3.497 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.766 2.247 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.278 1.779 -4.755 1.00 0.00 H new ATOM 460 N HIS A 397 1.886 -0.126 -2.029 1.00 0.00 N ATOM 461 CA HIS A 397 2.751 -0.615 -0.962 1.00 0.00 C ATOM 462 C HIS A 397 4.215 -0.308 -1.266 1.00 0.00 C ATOM 463 O HIS A 397 4.657 -0.414 -2.410 1.00 0.00 O ATOM 464 CB HIS A 397 2.562 -2.120 -0.771 1.00 0.00 C ATOM 465 CG HIS A 397 1.155 -2.509 -0.434 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.236 -2.905 -1.383 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.513 -2.562 0.756 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.911 -3.183 -0.791 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.770 -2.984 0.507 1.00 0.00 N ATOM 0 H HIS A 397 1.997 -0.613 -2.918 1.00 0.00 H new ATOM 0 HA HIS A 397 2.474 -0.103 -0.040 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.864 -2.634 -1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.225 -2.463 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 397 0.931 -2.318 1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.812 -3.517 -1.285 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -1.496 -3.121 1.210 1.00 0.00 H new ATOM 477 N TYR A 398 4.961 0.071 -0.235 1.00 0.00 N ATOM 478 CA TYR A 398 6.374 0.396 -0.392 1.00 0.00 C ATOM 479 C TYR A 398 7.235 -0.457 0.535 1.00 0.00 C ATOM 480 O TYR A 398 7.069 -0.431 1.755 1.00 0.00 O ATOM 481 CB TYR A 398 6.613 1.879 -0.107 1.00 0.00 C ATOM 482 CG TYR A 398 6.245 2.784 -1.261 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.129 2.999 -2.311 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.012 3.424 -1.302 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.798 3.826 -3.367 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.671 4.251 -2.355 1.00 0.00 C ATOM 487 CZ TYR A 398 5.568 4.449 -3.384 1.00 0.00 C ATOM 488 OH TYR A 398 5.233 5.272 -4.435 1.00 0.00 O ATOM 0 H TYR A 398 4.611 0.161 0.719 1.00 0.00 H new ATOM 0 HA TYR A 398 6.658 0.181 -1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.035 2.170 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.664 2.028 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.092 2.511 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.308 3.272 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.498 3.984 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.708 4.739 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 398 4.667 6.003 -4.110 1.00 0.00 H new ATOM 498 N LEU A 399 8.157 -1.211 -0.053 1.00 0.00 N ATOM 499 CA LEU A 399 9.047 -2.072 0.718 1.00 0.00 C ATOM 500 C LEU A 399 10.086 -1.247 1.470 1.00 0.00 C ATOM 501 O LEU A 399 11.149 -0.931 0.936 1.00 0.00 O ATOM 502 CB LEU A 399 9.745 -3.074 -0.204 1.00 0.00 C ATOM 503 CG LEU A 399 10.717 -4.043 0.471 1.00 0.00 C ATOM 504 CD1 LEU A 399 10.089 -4.647 1.718 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.139 -5.136 -0.499 1.00 0.00 C ATOM 0 H LEU A 399 8.308 -1.244 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 399 8.445 -2.616 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.981 -3.657 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.289 -2.517 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 399 11.606 -3.487 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.795 -5.334 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.838 -3.852 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.184 -5.188 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.831 -5.816 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.260 -5.689 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.630 -4.687 -1.362 1.00 0.00 H new ATOM 517 N VAL A 400 9.772 -0.902 2.715 1.00 0.00 N ATOM 518 CA VAL A 400 10.680 -0.117 3.543 1.00 0.00 C ATOM 519 C VAL A 400 11.821 -0.976 4.075 1.00 0.00 C ATOM 520 O VAL A 400 11.605 -1.893 4.868 1.00 0.00 O ATOM 521 CB VAL A 400 9.940 0.528 4.730 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.821 1.567 5.407 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.630 1.148 4.268 1.00 0.00 C ATOM 0 H VAL A 400 8.896 -1.154 3.172 1.00 0.00 H new ATOM 0 HA VAL A 400 11.088 0.669 2.908 1.00 0.00 H new ATOM 0 HB VAL A 400 9.710 -0.250 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.282 2.012 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.730 1.090 5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.084 2.344 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.121 1.599 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.834 1.914 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.995 0.376 3.833 1.00 0.00 H new ATOM 533 N LYS A 401 13.037 -0.673 3.635 1.00 0.00 N ATOM 534 CA LYS A 401 14.215 -1.415 4.068 1.00 0.00 C ATOM 535 C LYS A 401 14.901 -0.715 5.237 1.00 0.00 C ATOM 536 O LYS A 401 15.668 0.228 5.044 1.00 0.00 O ATOM 537 CB LYS A 401 15.199 -1.574 2.906 1.00 0.00 C ATOM 538 CG LYS A 401 15.944 -2.897 2.916 1.00 0.00 C ATOM 539 CD LYS A 401 16.829 -3.029 4.144 1.00 0.00 C ATOM 540 CE LYS A 401 18.218 -2.462 3.894 1.00 0.00 C ATOM 541 NZ LYS A 401 18.303 -1.021 4.262 1.00 0.00 N ATOM 0 H LYS A 401 13.233 0.082 2.978 1.00 0.00 H new ATOM 0 HA LYS A 401 13.890 -2.401 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.656 -1.480 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.922 -0.759 2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.228 -3.719 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.554 -2.979 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 401 16.368 -2.508 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.909 -4.079 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.950 -3.028 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.476 -2.584 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.888 -0.518 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 17.348 -0.609 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 18.732 -0.928 5.205 1.00 0.00 H new ATOM 555 N TRP A 402 14.620 -1.183 6.448 1.00 0.00 N ATOM 556 CA TRP A 402 15.211 -0.602 7.647 1.00 0.00 C ATOM 557 C TRP A 402 16.214 -1.561 8.280 1.00 0.00 C ATOM 558 O TRP A 402 16.168 -2.768 8.040 1.00 0.00 O ATOM 559 CB TRP A 402 14.120 -0.246 8.658 1.00 0.00 C ATOM 560 CG TRP A 402 13.007 -1.250 8.708 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.116 -2.602 8.555 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.618 -0.979 8.925 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.878 -3.189 8.663 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.943 -2.214 8.891 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.880 0.187 9.147 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.565 -2.314 9.069 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.513 0.086 9.323 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.867 -1.157 9.285 1.00 0.00 C ATOM 0 H TRP A 402 13.987 -1.963 6.625 1.00 0.00 H new ATOM 0 HA TRP A 402 15.738 0.307 7.357 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.567 -0.159 9.649 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.707 0.731 8.408 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.039 -3.133 8.375 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.687 -4.188 8.586 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.369 1.149 9.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.065 -3.271 9.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.932 0.981 9.493 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.798 -1.203 9.429 1.00 0.00 H new ATOM 579 N CYS A 403 17.117 -1.018 9.087 1.00 0.00 N ATOM 580 CA CYS A 403 18.132 -1.827 9.754 1.00 0.00 C ATOM 581 C CYS A 403 17.673 -2.231 11.151 1.00 0.00 C ATOM 582 O CYS A 403 17.715 -3.407 11.513 1.00 0.00 O ATOM 583 CB CYS A 403 19.451 -1.058 9.839 1.00 0.00 C ATOM 584 SG CYS A 403 20.214 -0.719 8.235 1.00 0.00 S ATOM 0 H CYS A 403 17.168 -0.021 9.296 1.00 0.00 H new ATOM 0 HA CYS A 403 18.285 -2.732 9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.275 -0.113 10.353 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.152 -1.627 10.450 1.00 0.00 H new ATOM 0 HG CYS A 403 21.323 -0.063 8.412 1.00 0.00 H new ATOM 590 N SER A 404 17.237 -1.248 11.933 1.00 0.00 N ATOM 591 CA SER A 404 16.776 -1.501 13.293 1.00 0.00 C ATOM 592 C SER A 404 15.998 -2.811 13.368 1.00 0.00 C ATOM 593 O SER A 404 15.946 -3.457 14.415 1.00 0.00 O ATOM 594 CB SER A 404 15.900 -0.345 13.780 1.00 0.00 C ATOM 595 OG SER A 404 15.548 -0.511 15.143 1.00 0.00 O ATOM 0 H SER A 404 17.193 -0.270 11.648 1.00 0.00 H new ATOM 0 HA SER A 404 17.651 -1.581 13.938 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.432 0.598 13.651 1.00 0.00 H new ATOM 0 HB3 SER A 404 14.997 -0.288 13.172 1.00 0.00 H new ATOM 0 HG SER A 404 14.990 0.241 15.431 1.00 0.00 H new ATOM 601 N LEU A 405 15.393 -3.198 12.250 1.00 0.00 N ATOM 602 CA LEU A 405 14.617 -4.431 12.187 1.00 0.00 C ATOM 603 C LEU A 405 15.319 -5.473 11.322 1.00 0.00 C ATOM 604 O LEU A 405 16.047 -5.148 10.384 1.00 0.00 O ATOM 605 CB LEU A 405 13.219 -4.149 11.633 1.00 0.00 C ATOM 606 CG LEU A 405 12.250 -3.445 12.583 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.085 -2.846 11.810 1.00 0.00 C ATOM 608 CD2 LEU A 405 11.747 -4.413 13.644 1.00 0.00 C ATOM 0 H LEU A 405 15.425 -2.675 11.375 1.00 0.00 H new ATOM 0 HA LEU A 405 14.527 -4.827 13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.322 -3.540 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.773 -5.096 11.327 1.00 0.00 H new ATOM 0 HG LEU A 405 12.783 -2.635 13.081 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.406 -2.349 12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.462 -2.121 11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.552 -3.638 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.058 -3.895 14.312 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.231 -5.244 13.163 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.591 -4.794 14.218 1.00 0.00 H new ATOM 620 N PRO A 406 15.094 -6.756 11.641 1.00 0.00 N ATOM 621 CA PRO A 406 15.693 -7.872 10.903 1.00 0.00 C ATOM 622 C PRO A 406 15.114 -8.017 9.500 1.00 0.00 C ATOM 623 O PRO A 406 13.896 -8.002 9.316 1.00 0.00 O ATOM 624 CB PRO A 406 15.339 -9.092 11.757 1.00 0.00 C ATOM 625 CG PRO A 406 14.109 -8.694 12.496 1.00 0.00 C ATOM 626 CD PRO A 406 14.236 -7.216 12.746 1.00 0.00 C ATOM 0 HA PRO A 406 16.764 -7.735 10.755 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.161 -9.971 11.137 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.148 -9.344 12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.215 -8.916 11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.023 -9.242 13.434 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.265 -6.721 12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.686 -7.010 13.717 1.00 0.00 H new ATOM 634 N TYR A 407 15.993 -8.159 8.514 1.00 0.00 N ATOM 635 CA TYR A 407 15.568 -8.306 7.127 1.00 0.00 C ATOM 636 C TYR A 407 14.468 -9.356 7.002 1.00 0.00 C ATOM 637 O TYR A 407 13.428 -9.111 6.391 1.00 0.00 O ATOM 638 CB TYR A 407 16.757 -8.689 6.245 1.00 0.00 C ATOM 639 CG TYR A 407 16.408 -8.818 4.780 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.923 -7.730 4.063 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.562 -10.026 4.112 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.602 -7.843 2.724 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.245 -10.148 2.773 1.00 0.00 C ATOM 644 CZ TYR A 407 15.765 -9.054 2.084 1.00 0.00 C ATOM 645 OH TYR A 407 15.447 -9.171 0.750 1.00 0.00 O ATOM 0 H TYR A 407 17.004 -8.175 8.650 1.00 0.00 H new ATOM 0 HA TYR A 407 15.170 -7.348 6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.539 -7.939 6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.169 -9.635 6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.795 -6.780 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.936 -10.885 4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.226 -6.988 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 407 16.372 -11.095 2.269 1.00 0.00 H new ATOM 0 HH TYR A 407 15.621 -10.088 0.452 1.00 0.00 H new ATOM 655 N GLU A 408 14.707 -10.526 7.586 1.00 0.00 N ATOM 656 CA GLU A 408 13.737 -11.614 7.540 1.00 0.00 C ATOM 657 C GLU A 408 12.325 -11.095 7.793 1.00 0.00 C ATOM 658 O GLU A 408 11.343 -11.718 7.390 1.00 0.00 O ATOM 659 CB GLU A 408 14.091 -12.686 8.573 1.00 0.00 C ATOM 660 CG GLU A 408 14.631 -12.121 9.876 1.00 0.00 C ATOM 661 CD GLU A 408 14.692 -13.159 10.981 1.00 0.00 C ATOM 662 OE1 GLU A 408 15.410 -14.166 10.807 1.00 0.00 O ATOM 663 OE2 GLU A 408 14.024 -12.963 12.017 1.00 0.00 O ATOM 0 H GLU A 408 15.563 -10.745 8.096 1.00 0.00 H new ATOM 0 HA GLU A 408 13.770 -12.055 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.203 -13.281 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 408 14.832 -13.361 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 408 15.629 -11.717 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 408 14.001 -11.291 10.197 1.00 0.00 H new ATOM 670 N GLU A 409 12.232 -9.951 8.464 1.00 0.00 N ATOM 671 CA GLU A 409 10.940 -9.349 8.772 1.00 0.00 C ATOM 672 C GLU A 409 10.643 -8.186 7.829 1.00 0.00 C ATOM 673 O GLU A 409 9.999 -7.210 8.214 1.00 0.00 O ATOM 674 CB GLU A 409 10.911 -8.864 10.222 1.00 0.00 C ATOM 675 CG GLU A 409 10.922 -9.992 11.241 1.00 0.00 C ATOM 676 CD GLU A 409 10.490 -9.535 12.621 1.00 0.00 C ATOM 677 OE1 GLU A 409 9.788 -8.506 12.714 1.00 0.00 O ATOM 678 OE2 GLU A 409 10.853 -10.208 13.609 1.00 0.00 O ATOM 0 H GLU A 409 13.035 -9.423 8.804 1.00 0.00 H new ATOM 0 HA GLU A 409 10.172 -10.110 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.771 -8.218 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.020 -8.256 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.260 -10.789 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.925 -10.414 11.300 1.00 0.00 H new ATOM 685 N SER A 410 11.118 -8.298 6.593 1.00 0.00 N ATOM 686 CA SER A 410 10.908 -7.255 5.596 1.00 0.00 C ATOM 687 C SER A 410 9.419 -7.032 5.349 1.00 0.00 C ATOM 688 O SER A 410 8.695 -7.952 4.968 1.00 0.00 O ATOM 689 CB SER A 410 11.604 -7.625 4.285 1.00 0.00 C ATOM 690 OG SER A 410 10.890 -8.637 3.596 1.00 0.00 O ATOM 0 H SER A 410 11.651 -9.101 6.258 1.00 0.00 H new ATOM 0 HA SER A 410 11.338 -6.329 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.689 -6.741 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.618 -7.968 4.492 1.00 0.00 H new ATOM 0 HG SER A 410 9.982 -8.701 3.959 1.00 0.00 H new ATOM 696 N THR A 411 8.967 -5.801 5.568 1.00 0.00 N ATOM 697 CA THR A 411 7.565 -5.455 5.371 1.00 0.00 C ATOM 698 C THR A 411 7.414 -4.335 4.348 1.00 0.00 C ATOM 699 O THR A 411 8.396 -3.712 3.946 1.00 0.00 O ATOM 700 CB THR A 411 6.903 -5.020 6.693 1.00 0.00 C ATOM 701 OG1 THR A 411 5.498 -4.824 6.495 1.00 0.00 O ATOM 702 CG2 THR A 411 7.531 -3.737 7.216 1.00 0.00 C ATOM 0 H THR A 411 9.552 -5.027 5.882 1.00 0.00 H new ATOM 0 HA THR A 411 7.067 -6.351 5.001 1.00 0.00 H new ATOM 0 HB THR A 411 7.059 -5.808 7.429 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.084 -4.549 7.340 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.048 -3.450 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.594 -3.898 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.402 -2.943 6.481 1.00 0.00 H new ATOM 710 N TRP A 412 6.178 -4.085 3.931 1.00 0.00 N ATOM 711 CA TRP A 412 5.898 -3.039 2.954 1.00 0.00 C ATOM 712 C TRP A 412 4.879 -2.044 3.498 1.00 0.00 C ATOM 713 O TRP A 412 3.672 -2.262 3.398 1.00 0.00 O ATOM 714 CB TRP A 412 5.385 -3.654 1.651 1.00 0.00 C ATOM 715 CG TRP A 412 6.263 -4.748 1.123 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.711 -5.841 1.808 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.800 -4.853 -0.200 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.495 -6.619 0.991 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.564 -6.035 -0.247 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.707 -4.065 -1.350 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.231 -6.445 -1.398 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.371 -4.473 -2.492 1.00 0.00 C ATOM 723 CH2 TRP A 412 8.124 -5.654 -2.509 1.00 0.00 C ATOM 0 H TRP A 412 5.354 -4.592 4.254 1.00 0.00 H new ATOM 0 HA TRP A 412 6.827 -2.505 2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.383 -4.050 1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.300 -2.871 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.483 -6.061 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.952 -7.490 1.262 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.127 -3.154 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.812 -7.355 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.308 -3.871 -3.386 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.630 -5.946 -3.417 1.00 0.00 H new ATOM 734 N GLU A 413 5.373 -0.952 4.073 1.00 0.00 N ATOM 735 CA GLU A 413 4.502 0.075 4.633 1.00 0.00 C ATOM 736 C GLU A 413 3.832 0.883 3.525 1.00 0.00 C ATOM 737 O GLU A 413 4.465 1.240 2.530 1.00 0.00 O ATOM 738 CB GLU A 413 5.300 1.008 5.547 1.00 0.00 C ATOM 739 CG GLU A 413 6.069 0.279 6.637 1.00 0.00 C ATOM 740 CD GLU A 413 6.601 1.218 7.702 1.00 0.00 C ATOM 741 OE1 GLU A 413 7.669 1.824 7.480 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.947 1.347 8.759 1.00 0.00 O ATOM 0 H GLU A 413 6.370 -0.756 4.163 1.00 0.00 H new ATOM 0 HA GLU A 413 3.727 -0.421 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.001 1.584 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.618 1.721 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.418 -0.461 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.901 -0.264 6.189 1.00 0.00 H new ATOM 749 N LEU A 414 2.547 1.168 3.704 1.00 0.00 N ATOM 750 CA LEU A 414 1.788 1.933 2.721 1.00 0.00 C ATOM 751 C LEU A 414 2.509 3.230 2.366 1.00 0.00 C ATOM 752 O LEU A 414 3.544 3.554 2.947 1.00 0.00 O ATOM 753 CB LEU A 414 0.389 2.244 3.256 1.00 0.00 C ATOM 754 CG LEU A 414 -0.546 1.046 3.426 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.732 1.415 4.304 1.00 0.00 C ATOM 756 CD2 LEU A 414 -1.020 0.542 2.070 1.00 0.00 C ATOM 0 H LEU A 414 2.009 0.881 4.521 1.00 0.00 H new ATOM 0 HA LEU A 414 1.699 1.329 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.493 2.738 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.086 2.957 2.582 1.00 0.00 H new ATOM 0 HG LEU A 414 0.007 0.245 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.386 0.550 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.375 1.727 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.286 2.233 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.684 -0.311 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.556 1.338 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.160 0.237 1.474 1.00 0.00 H new ATOM 768 N GLU A 415 1.952 3.968 1.411 1.00 0.00 N ATOM 769 CA GLU A 415 2.542 5.230 0.981 1.00 0.00 C ATOM 770 C GLU A 415 2.200 6.352 1.957 1.00 0.00 C ATOM 771 O GLU A 415 2.466 7.523 1.690 1.00 0.00 O ATOM 772 CB GLU A 415 2.054 5.595 -0.423 1.00 0.00 C ATOM 773 CG GLU A 415 2.791 6.773 -1.037 1.00 0.00 C ATOM 774 CD GLU A 415 2.558 6.893 -2.530 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.495 6.442 -3.003 1.00 0.00 O ATOM 776 OE2 GLU A 415 3.441 7.439 -3.226 1.00 0.00 O ATOM 0 H GLU A 415 1.094 3.714 0.921 1.00 0.00 H new ATOM 0 HA GLU A 415 3.625 5.106 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.166 4.728 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 415 0.990 5.826 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.470 7.693 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.859 6.667 -0.847 1.00 0.00 H new ATOM 783 N GLU A 416 1.608 5.983 3.089 1.00 0.00 N ATOM 784 CA GLU A 416 1.228 6.958 4.105 1.00 0.00 C ATOM 785 C GLU A 416 2.129 6.846 5.331 1.00 0.00 C ATOM 786 O GLU A 416 2.480 7.850 5.950 1.00 0.00 O ATOM 787 CB GLU A 416 -0.234 6.759 4.512 1.00 0.00 C ATOM 788 CG GLU A 416 -0.530 5.373 5.058 1.00 0.00 C ATOM 789 CD GLU A 416 -2.003 5.020 4.985 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.642 5.345 3.962 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.517 4.417 5.951 1.00 0.00 O ATOM 0 H GLU A 416 1.381 5.017 3.325 1.00 0.00 H new ATOM 0 HA GLU A 416 1.347 7.954 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.497 7.501 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.871 6.944 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 416 0.045 4.635 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -0.197 5.316 6.094 1.00 0.00 H new ATOM 798 N ASP A 417 2.499 5.617 5.675 1.00 0.00 N ATOM 799 CA ASP A 417 3.360 5.372 6.827 1.00 0.00 C ATOM 800 C ASP A 417 4.828 5.357 6.414 1.00 0.00 C ATOM 801 O ASP A 417 5.648 4.670 7.024 1.00 0.00 O ATOM 802 CB ASP A 417 2.991 4.046 7.494 1.00 0.00 C ATOM 803 CG ASP A 417 2.471 3.024 6.501 1.00 0.00 C ATOM 804 OD1 ASP A 417 2.934 3.034 5.341 1.00 0.00 O ATOM 805 OD2 ASP A 417 1.602 2.214 6.885 1.00 0.00 O ATOM 0 H ASP A 417 2.216 4.775 5.173 1.00 0.00 H new ATOM 0 HA ASP A 417 3.210 6.182 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.867 3.642 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.234 4.225 8.257 1.00 0.00 H new ATOM 810 N VAL A 418 5.154 6.118 5.374 1.00 0.00 N ATOM 811 CA VAL A 418 6.523 6.192 4.879 1.00 0.00 C ATOM 812 C VAL A 418 6.909 7.629 4.544 1.00 0.00 C ATOM 813 O VAL A 418 6.090 8.403 4.048 1.00 0.00 O ATOM 814 CB VAL A 418 6.716 5.315 3.628 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.063 5.599 2.980 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.587 3.842 3.986 1.00 0.00 C ATOM 0 H VAL A 418 4.488 6.692 4.858 1.00 0.00 H new ATOM 0 HA VAL A 418 7.168 5.822 5.676 1.00 0.00 H new ATOM 0 HB VAL A 418 5.935 5.560 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.182 4.970 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.112 6.648 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.861 5.383 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.726 3.236 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.345 3.579 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.597 3.654 4.401 1.00 0.00 H new ATOM 826 N ASP A 419 8.161 7.978 4.817 1.00 0.00 N ATOM 827 CA ASP A 419 8.658 9.321 4.543 1.00 0.00 C ATOM 828 C ASP A 419 8.599 9.628 3.050 1.00 0.00 C ATOM 829 O ASP A 419 8.889 8.780 2.206 1.00 0.00 O ATOM 830 CB ASP A 419 10.092 9.472 5.052 1.00 0.00 C ATOM 831 CG ASP A 419 10.594 10.899 4.956 1.00 0.00 C ATOM 832 OD1 ASP A 419 10.386 11.666 5.919 1.00 0.00 O ATOM 833 OD2 ASP A 419 11.193 11.250 3.918 1.00 0.00 O ATOM 0 H ASP A 419 8.851 7.349 5.228 1.00 0.00 H new ATOM 0 HA ASP A 419 8.019 10.032 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.143 9.141 6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.749 8.820 4.477 1.00 0.00 H new ATOM 838 N PRO A 420 8.215 10.869 2.715 1.00 0.00 N ATOM 839 CA PRO A 420 8.109 11.316 1.323 1.00 0.00 C ATOM 840 C PRO A 420 9.472 11.451 0.652 1.00 0.00 C ATOM 841 O PRO A 420 9.628 11.135 -0.526 1.00 0.00 O ATOM 842 CB PRO A 420 7.433 12.684 1.441 1.00 0.00 C ATOM 843 CG PRO A 420 7.779 13.161 2.809 1.00 0.00 C ATOM 844 CD PRO A 420 7.855 11.931 3.670 1.00 0.00 C ATOM 0 HA PRO A 420 7.559 10.605 0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.797 13.372 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.354 12.605 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.729 13.695 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 420 7.025 13.853 3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.603 12.036 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.904 11.725 4.161 1.00 0.00 H new ATOM 852 N ALA A 421 10.456 11.923 1.411 1.00 0.00 N ATOM 853 CA ALA A 421 11.806 12.098 0.890 1.00 0.00 C ATOM 854 C ALA A 421 12.362 10.783 0.355 1.00 0.00 C ATOM 855 O ALA A 421 12.783 10.699 -0.799 1.00 0.00 O ATOM 856 CB ALA A 421 12.720 12.658 1.970 1.00 0.00 C ATOM 0 H ALA A 421 10.343 12.191 2.389 1.00 0.00 H new ATOM 0 HA ALA A 421 11.761 12.807 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.725 12.784 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.340 13.623 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.751 11.969 2.814 1.00 0.00 H new ATOM 862 N LYS A 422 12.360 9.757 1.199 1.00 0.00 N ATOM 863 CA LYS A 422 12.864 8.445 0.811 1.00 0.00 C ATOM 864 C LYS A 422 12.237 7.988 -0.502 1.00 0.00 C ATOM 865 O LYS A 422 12.934 7.536 -1.410 1.00 0.00 O ATOM 866 CB LYS A 422 12.576 7.420 1.910 1.00 0.00 C ATOM 867 CG LYS A 422 13.535 7.501 3.085 1.00 0.00 C ATOM 868 CD LYS A 422 14.738 6.594 2.887 1.00 0.00 C ATOM 869 CE LYS A 422 15.871 7.319 2.178 1.00 0.00 C ATOM 870 NZ LYS A 422 15.785 7.169 0.698 1.00 0.00 N ATOM 0 H LYS A 422 12.015 9.809 2.157 1.00 0.00 H new ATOM 0 HA LYS A 422 13.942 8.524 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.558 7.565 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.623 6.419 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.871 8.530 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 422 13.014 7.221 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 422 15.085 6.232 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.444 5.720 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.844 8.377 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 422 16.827 6.929 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.548 6.545 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.865 6.756 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.881 8.102 0.248 1.00 0.00 H new ATOM 884 N VAL A 423 10.917 8.110 -0.596 1.00 0.00 N ATOM 885 CA VAL A 423 10.196 7.712 -1.800 1.00 0.00 C ATOM 886 C VAL A 423 10.683 8.492 -3.015 1.00 0.00 C ATOM 887 O VAL A 423 10.946 7.917 -4.072 1.00 0.00 O ATOM 888 CB VAL A 423 8.679 7.925 -1.641 1.00 0.00 C ATOM 889 CG1 VAL A 423 7.951 7.555 -2.925 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.148 7.117 -0.466 1.00 0.00 C ATOM 0 H VAL A 423 10.325 8.481 0.147 1.00 0.00 H new ATOM 0 HA VAL A 423 10.393 6.651 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 423 8.497 8.980 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 423 6.880 7.712 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.312 8.180 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.138 6.507 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.075 7.279 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.341 6.058 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.648 7.434 0.449 1.00 0.00 H new ATOM 900 N LYS A 424 10.803 9.806 -2.859 1.00 0.00 N ATOM 901 CA LYS A 424 11.260 10.668 -3.943 1.00 0.00 C ATOM 902 C LYS A 424 12.598 10.184 -4.494 1.00 0.00 C ATOM 903 O LYS A 424 12.724 9.910 -5.687 1.00 0.00 O ATOM 904 CB LYS A 424 11.391 12.112 -3.454 1.00 0.00 C ATOM 905 CG LYS A 424 11.369 13.138 -4.574 1.00 0.00 C ATOM 906 CD LYS A 424 12.715 13.228 -5.273 1.00 0.00 C ATOM 907 CE LYS A 424 12.648 14.130 -6.496 1.00 0.00 C ATOM 908 NZ LYS A 424 11.870 13.507 -7.603 1.00 0.00 N ATOM 0 H LYS A 424 10.590 10.298 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 424 10.520 10.628 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.578 12.327 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.322 12.215 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.599 12.871 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.102 14.114 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 424 13.462 13.610 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 424 13.038 12.231 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 424 12.191 15.081 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 424 13.658 14.350 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 12.015 14.050 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 12.192 12.529 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 10.859 13.507 -7.359 1.00 0.00 H new ATOM 922 N GLU A 425 13.592 10.081 -3.618 1.00 0.00 N ATOM 923 CA GLU A 425 14.919 9.629 -4.019 1.00 0.00 C ATOM 924 C GLU A 425 14.844 8.277 -4.723 1.00 0.00 C ATOM 925 O GLU A 425 15.454 8.077 -5.773 1.00 0.00 O ATOM 926 CB GLU A 425 15.839 9.532 -2.800 1.00 0.00 C ATOM 927 CG GLU A 425 17.188 8.902 -3.104 1.00 0.00 C ATOM 928 CD GLU A 425 18.109 9.836 -3.866 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.602 10.647 -4.668 1.00 0.00 O ATOM 930 OE2 GLU A 425 19.338 9.754 -3.658 1.00 0.00 O ATOM 0 H GLU A 425 13.504 10.304 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 425 15.328 10.360 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.997 10.531 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.341 8.949 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.666 8.608 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.037 7.992 -3.685 1.00 0.00 H new ATOM 937 N PHE A 426 14.092 7.352 -4.135 1.00 0.00 N ATOM 938 CA PHE A 426 13.938 6.018 -4.704 1.00 0.00 C ATOM 939 C PHE A 426 13.384 6.093 -6.124 1.00 0.00 C ATOM 940 O PHE A 426 13.783 5.323 -6.997 1.00 0.00 O ATOM 941 CB PHE A 426 13.013 5.171 -3.827 1.00 0.00 C ATOM 942 CG PHE A 426 12.447 3.974 -4.536 1.00 0.00 C ATOM 943 CD1 PHE A 426 11.278 4.077 -5.272 1.00 0.00 C ATOM 944 CD2 PHE A 426 13.084 2.746 -4.466 1.00 0.00 C ATOM 945 CE1 PHE A 426 10.754 2.976 -5.924 1.00 0.00 C ATOM 946 CE2 PHE A 426 12.566 1.641 -5.117 1.00 0.00 C ATOM 947 CZ PHE A 426 11.400 1.757 -5.847 1.00 0.00 C ATOM 0 H PHE A 426 13.580 7.502 -3.265 1.00 0.00 H new ATOM 0 HA PHE A 426 14.922 5.550 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.564 4.836 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.193 5.794 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 426 10.770 5.028 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 426 13.996 2.650 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 426 9.841 3.069 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 426 13.073 0.689 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 426 10.993 0.896 -6.357 1.00 0.00 H new ATOM 957 N GLU A 427 12.463 7.025 -6.345 1.00 0.00 N ATOM 958 CA GLU A 427 11.853 7.199 -7.658 1.00 0.00 C ATOM 959 C GLU A 427 12.857 7.776 -8.652 1.00 0.00 C ATOM 960 O GLU A 427 12.977 7.296 -9.779 1.00 0.00 O ATOM 961 CB GLU A 427 10.632 8.116 -7.561 1.00 0.00 C ATOM 962 CG GLU A 427 9.424 7.454 -6.921 1.00 0.00 C ATOM 963 CD GLU A 427 8.814 6.379 -7.799 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.237 6.728 -8.850 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.914 5.188 -7.435 1.00 0.00 O ATOM 0 H GLU A 427 12.123 7.671 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 427 11.535 6.219 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.898 9.002 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.363 8.455 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.718 7.015 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.671 8.212 -6.705 1.00 0.00 H new ATOM 972 N SER A 428 13.577 8.809 -8.226 1.00 0.00 N ATOM 973 CA SER A 428 14.568 9.455 -9.079 1.00 0.00 C ATOM 974 C SER A 428 15.463 8.419 -9.752 1.00 0.00 C ATOM 975 O SER A 428 15.986 8.648 -10.843 1.00 0.00 O ATOM 976 CB SER A 428 15.420 10.427 -8.261 1.00 0.00 C ATOM 977 OG SER A 428 16.366 11.090 -9.081 1.00 0.00 O ATOM 0 H SER A 428 13.493 9.217 -7.295 1.00 0.00 H new ATOM 0 HA SER A 428 14.038 10.010 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.776 11.161 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.937 9.885 -7.469 1.00 0.00 H new ATOM 0 HG SER A 428 16.897 11.707 -8.535 1.00 0.00 H new ATOM 983 N LEU A 429 15.635 7.278 -9.093 1.00 0.00 N ATOM 984 CA LEU A 429 16.467 6.205 -9.626 1.00 0.00 C ATOM 985 C LEU A 429 15.857 5.623 -10.897 1.00 0.00 C ATOM 986 O LEU A 429 16.439 5.720 -11.977 1.00 0.00 O ATOM 987 CB LEU A 429 16.643 5.102 -8.580 1.00 0.00 C ATOM 988 CG LEU A 429 17.448 5.480 -7.336 1.00 0.00 C ATOM 989 CD1 LEU A 429 17.380 4.370 -6.299 1.00 0.00 C ATOM 990 CD2 LEU A 429 18.893 5.779 -7.706 1.00 0.00 C ATOM 0 H LEU A 429 15.209 7.072 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 429 17.443 6.623 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 429 15.655 4.769 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 429 17.128 4.250 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 429 17.011 6.380 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 429 17.959 4.657 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 429 16.342 4.204 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.791 3.453 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 429 19.451 6.046 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 429 19.342 4.897 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 429 18.924 6.609 -8.412 1.00 0.00 H new ATOM 1002 N GLN A 430 14.680 5.021 -10.760 1.00 0.00 N ATOM 1003 CA GLN A 430 13.990 4.425 -11.899 1.00 0.00 C ATOM 1004 C GLN A 430 12.696 5.172 -12.203 1.00 0.00 C ATOM 1005 O GLN A 430 11.916 5.476 -11.302 1.00 0.00 O ATOM 1006 CB GLN A 430 13.689 2.950 -11.624 1.00 0.00 C ATOM 1007 CG GLN A 430 12.892 2.719 -10.350 1.00 0.00 C ATOM 1008 CD GLN A 430 12.967 1.284 -9.867 1.00 0.00 C ATOM 1009 OE1 GLN A 430 11.958 0.581 -9.814 1.00 0.00 O ATOM 1010 NE2 GLN A 430 14.168 0.841 -9.513 1.00 0.00 N ATOM 0 H GLN A 430 14.184 4.933 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 430 14.644 4.500 -12.768 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.137 2.537 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.629 2.402 -11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.264 3.381 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.850 2.986 -10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 430 14.978 1.459 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 430 14.281 -0.117 -9.181 1.00 0.00 H new ATOM 1019 N VAL A 431 12.476 5.466 -13.481 1.00 0.00 N ATOM 1020 CA VAL A 431 11.276 6.178 -13.905 1.00 0.00 C ATOM 1021 C VAL A 431 10.016 5.446 -13.458 1.00 0.00 C ATOM 1022 O VAL A 431 8.999 6.069 -13.151 1.00 0.00 O ATOM 1023 CB VAL A 431 11.239 6.354 -15.435 1.00 0.00 C ATOM 1024 CG1 VAL A 431 12.441 7.157 -15.909 1.00 0.00 C ATOM 1025 CG2 VAL A 431 11.186 4.999 -16.125 1.00 0.00 C ATOM 0 H VAL A 431 13.113 5.222 -14.240 1.00 0.00 H new ATOM 0 HA VAL A 431 11.308 7.161 -13.434 1.00 0.00 H new ATOM 0 HB VAL A 431 10.337 6.906 -15.699 1.00 0.00 H new ATOM 0 HG11 VAL A 431 12.398 7.271 -16.992 1.00 0.00 H new ATOM 0 HG12 VAL A 431 12.429 8.141 -15.440 1.00 0.00 H new ATOM 0 HG13 VAL A 431 13.358 6.635 -15.635 1.00 0.00 H new ATOM 0 HG21 VAL A 431 11.160 5.142 -17.205 1.00 0.00 H new ATOM 0 HG22 VAL A 431 12.069 4.419 -15.856 1.00 0.00 H new ATOM 0 HG23 VAL A 431 10.291 4.464 -15.808 1.00 0.00 H new TER 1035 VAL A 431