USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 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= -3.7 X(o=-3.7,f=-4.1!) USER MOD Set 1.2: A 396 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 366 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 374 TYR OH : rot 165:sc= 0 USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 397 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.04) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 117:sc= -1.6 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 66:sc= 0.46 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 422 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0683) 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= -0.127 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 26.843 20.876 10.048 1.00 0.00 N ATOM 2 CA GLY A 364 27.030 22.315 10.025 1.00 0.00 C ATOM 3 C GLY A 364 26.142 23.031 11.024 1.00 0.00 C ATOM 4 O GLY A 364 26.632 23.745 11.899 1.00 0.00 O ATOM 0 HA2 GLY A 364 28.073 22.546 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 364 26.820 22.690 9.023 1.00 0.00 H new ATOM 8 N SER A 365 24.834 22.840 10.893 1.00 0.00 N ATOM 9 CA SER A 365 23.875 23.478 11.788 1.00 0.00 C ATOM 10 C SER A 365 23.591 22.594 12.999 1.00 0.00 C ATOM 11 O SER A 365 23.843 21.389 12.974 1.00 0.00 O ATOM 12 CB SER A 365 22.572 23.777 11.045 1.00 0.00 C ATOM 13 OG SER A 365 21.938 22.581 10.625 1.00 0.00 O ATOM 0 H SER A 365 24.413 22.249 10.176 1.00 0.00 H new ATOM 0 HA SER A 365 24.309 24.415 12.137 1.00 0.00 H new ATOM 0 HB2 SER A 365 21.901 24.340 11.694 1.00 0.00 H new ATOM 0 HB3 SER A 365 22.780 24.406 10.179 1.00 0.00 H new ATOM 0 HG SER A 365 21.107 22.799 10.154 1.00 0.00 H new ATOM 19 N SER A 366 23.066 23.202 14.058 1.00 0.00 N ATOM 20 CA SER A 366 22.752 22.473 15.280 1.00 0.00 C ATOM 21 C SER A 366 21.669 21.428 15.026 1.00 0.00 C ATOM 22 O SER A 366 21.892 20.231 15.205 1.00 0.00 O ATOM 23 CB SER A 366 22.295 23.441 16.374 1.00 0.00 C ATOM 24 OG SER A 366 22.134 22.771 17.612 1.00 0.00 O ATOM 0 H SER A 366 22.849 24.198 14.094 1.00 0.00 H new ATOM 0 HA SER A 366 23.656 21.962 15.611 1.00 0.00 H new ATOM 0 HB2 SER A 366 23.025 24.243 16.483 1.00 0.00 H new ATOM 0 HB3 SER A 366 21.353 23.905 16.083 1.00 0.00 H new ATOM 0 HG SER A 366 21.843 23.411 18.295 1.00 0.00 H new ATOM 30 N GLY A 367 20.495 21.891 14.607 1.00 0.00 N ATOM 31 CA GLY A 367 19.395 20.984 14.335 1.00 0.00 C ATOM 32 C GLY A 367 19.161 20.001 15.465 1.00 0.00 C ATOM 33 O GLY A 367 19.461 18.814 15.336 1.00 0.00 O ATOM 0 H GLY A 367 20.286 22.877 14.451 1.00 0.00 H new ATOM 0 HA2 GLY A 367 18.486 21.561 14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 367 19.600 20.435 13.416 1.00 0.00 H new ATOM 37 N SER A 368 18.625 20.495 16.576 1.00 0.00 N ATOM 38 CA SER A 368 18.356 19.653 17.735 1.00 0.00 C ATOM 39 C SER A 368 16.866 19.347 17.851 1.00 0.00 C ATOM 40 O SER A 368 16.298 19.372 18.943 1.00 0.00 O ATOM 41 CB SER A 368 18.849 20.335 19.013 1.00 0.00 C ATOM 42 OG SER A 368 20.263 20.411 19.037 1.00 0.00 O ATOM 0 H SER A 368 18.368 21.475 16.698 1.00 0.00 H new ATOM 0 HA SER A 368 18.893 18.714 17.602 1.00 0.00 H new ATOM 0 HB2 SER A 368 18.427 21.338 19.080 1.00 0.00 H new ATOM 0 HB3 SER A 368 18.497 19.782 19.883 1.00 0.00 H new ATOM 0 HG SER A 368 20.553 20.852 19.863 1.00 0.00 H new ATOM 48 N SER A 369 16.238 19.059 16.715 1.00 0.00 N ATOM 49 CA SER A 369 14.812 18.752 16.687 1.00 0.00 C ATOM 50 C SER A 369 14.490 17.584 17.614 1.00 0.00 C ATOM 51 O SER A 369 13.727 17.727 18.569 1.00 0.00 O ATOM 52 CB SER A 369 14.368 18.423 15.260 1.00 0.00 C ATOM 53 OG SER A 369 14.657 19.493 14.377 1.00 0.00 O ATOM 0 H SER A 369 16.694 19.032 15.803 1.00 0.00 H new ATOM 0 HA SER A 369 14.269 19.630 17.036 1.00 0.00 H new ATOM 0 HB2 SER A 369 14.872 17.519 14.918 1.00 0.00 H new ATOM 0 HB3 SER A 369 13.298 18.216 15.247 1.00 0.00 H new ATOM 0 HG SER A 369 14.365 19.258 13.471 1.00 0.00 H new ATOM 59 N GLY A 370 15.077 16.426 17.323 1.00 0.00 N ATOM 60 CA GLY A 370 14.840 15.249 18.139 1.00 0.00 C ATOM 61 C GLY A 370 13.967 14.226 17.441 1.00 0.00 C ATOM 62 O GLY A 370 13.014 14.582 16.748 1.00 0.00 O ATOM 0 H GLY A 370 15.712 16.282 16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 370 15.795 14.791 18.397 1.00 0.00 H new ATOM 0 HA3 GLY A 370 14.367 15.548 19.074 1.00 0.00 H new ATOM 66 N ASN A 371 14.293 12.950 17.621 1.00 0.00 N ATOM 67 CA ASN A 371 13.532 11.872 17.001 1.00 0.00 C ATOM 68 C ASN A 371 12.797 11.048 18.054 1.00 0.00 C ATOM 69 O ASN A 371 13.275 10.009 18.510 1.00 0.00 O ATOM 70 CB ASN A 371 14.460 10.968 16.187 1.00 0.00 C ATOM 71 CG ASN A 371 14.855 11.588 14.861 1.00 0.00 C ATOM 72 OD1 ASN A 371 14.442 11.124 13.798 1.00 0.00 O ATOM 73 ND2 ASN A 371 15.660 12.643 14.918 1.00 0.00 N ATOM 0 H ASN A 371 15.079 12.638 18.191 1.00 0.00 H new ATOM 0 HA ASN A 371 12.794 12.319 16.335 1.00 0.00 H new ATOM 0 HB2 ASN A 371 15.358 10.757 16.768 1.00 0.00 H new ATOM 0 HB3 ASN A 371 13.966 10.014 16.006 1.00 0.00 H new ATOM 0 HD21 ASN A 371 15.960 13.102 14.058 1.00 0.00 H new ATOM 0 HD22 ASN A 371 15.978 12.994 15.822 1.00 0.00 H new ATOM 80 N PRO A 372 11.606 11.522 18.450 1.00 0.00 N ATOM 81 CA PRO A 372 10.779 10.844 19.453 1.00 0.00 C ATOM 82 C PRO A 372 10.196 9.534 18.935 1.00 0.00 C ATOM 83 O PRO A 372 9.452 8.853 19.641 1.00 0.00 O ATOM 84 CB PRO A 372 9.663 11.854 19.732 1.00 0.00 C ATOM 85 CG PRO A 372 9.575 12.674 18.492 1.00 0.00 C ATOM 86 CD PRO A 372 10.975 12.754 17.949 1.00 0.00 C ATOM 0 HA PRO A 372 11.354 10.568 20.337 1.00 0.00 H new ATOM 0 HB2 PRO A 372 8.719 11.352 19.942 1.00 0.00 H new ATOM 0 HB3 PRO A 372 9.896 12.472 20.599 1.00 0.00 H new ATOM 0 HG2 PRO A 372 8.901 12.216 17.768 1.00 0.00 H new ATOM 0 HG3 PRO A 372 9.183 13.668 18.708 1.00 0.00 H new ATOM 0 HD2 PRO A 372 10.982 12.795 16.860 1.00 0.00 H new ATOM 0 HD3 PRO A 372 11.494 13.644 18.304 1.00 0.00 H new ATOM 94 N ASP A 373 10.539 9.187 17.699 1.00 0.00 N ATOM 95 CA ASP A 373 10.050 7.957 17.087 1.00 0.00 C ATOM 96 C ASP A 373 11.158 6.911 17.010 1.00 0.00 C ATOM 97 O ASP A 373 12.310 7.187 17.346 1.00 0.00 O ATOM 98 CB ASP A 373 9.502 8.241 15.688 1.00 0.00 C ATOM 99 CG ASP A 373 10.333 9.264 14.937 1.00 0.00 C ATOM 100 OD1 ASP A 373 10.348 10.439 15.357 1.00 0.00 O ATOM 101 OD2 ASP A 373 10.968 8.888 13.929 1.00 0.00 O ATOM 0 H ASP A 373 11.154 9.740 17.102 1.00 0.00 H new ATOM 0 HA ASP A 373 9.247 7.564 17.710 1.00 0.00 H new ATOM 0 HB2 ASP A 373 9.471 7.313 15.118 1.00 0.00 H new ATOM 0 HB3 ASP A 373 8.476 8.599 15.769 1.00 0.00 H new ATOM 106 N TYR A 374 10.802 5.711 16.568 1.00 0.00 N ATOM 107 CA TYR A 374 11.765 4.622 16.450 1.00 0.00 C ATOM 108 C TYR A 374 12.804 4.928 15.376 1.00 0.00 C ATOM 109 O TYR A 374 12.604 5.803 14.533 1.00 0.00 O ATOM 110 CB TYR A 374 11.047 3.312 16.123 1.00 0.00 C ATOM 111 CG TYR A 374 10.474 3.267 14.724 1.00 0.00 C ATOM 112 CD1 TYR A 374 9.286 3.919 14.419 1.00 0.00 C ATOM 113 CD2 TYR A 374 11.121 2.573 13.709 1.00 0.00 C ATOM 114 CE1 TYR A 374 8.758 3.881 13.142 1.00 0.00 C ATOM 115 CE2 TYR A 374 10.602 2.531 12.430 1.00 0.00 C ATOM 116 CZ TYR A 374 9.420 3.186 12.151 1.00 0.00 C ATOM 117 OH TYR A 374 8.899 3.145 10.879 1.00 0.00 O ATOM 0 H TYR A 374 9.853 5.467 16.285 1.00 0.00 H new ATOM 0 HA TYR A 374 12.278 4.518 17.406 1.00 0.00 H new ATOM 0 HB2 TYR A 374 11.745 2.484 16.247 1.00 0.00 H new ATOM 0 HB3 TYR A 374 10.241 3.160 16.841 1.00 0.00 H new ATOM 0 HD1 TYR A 374 8.766 4.465 15.192 1.00 0.00 H new ATOM 0 HD2 TYR A 374 12.045 2.058 13.924 1.00 0.00 H new ATOM 0 HE1 TYR A 374 7.833 4.392 12.921 1.00 0.00 H new ATOM 0 HE2 TYR A 374 11.119 1.988 11.652 1.00 0.00 H new ATOM 0 HH TYR A 374 9.585 2.830 10.254 1.00 0.00 H new ATOM 127 N VAL A 375 13.915 4.199 15.412 1.00 0.00 N ATOM 128 CA VAL A 375 14.986 4.390 14.441 1.00 0.00 C ATOM 129 C VAL A 375 14.428 4.775 13.076 1.00 0.00 C ATOM 130 O VAL A 375 13.365 4.303 12.673 1.00 0.00 O ATOM 131 CB VAL A 375 15.842 3.118 14.294 1.00 0.00 C ATOM 132 CG1 VAL A 375 14.983 1.944 13.849 1.00 0.00 C ATOM 133 CG2 VAL A 375 16.983 3.355 13.316 1.00 0.00 C ATOM 0 H VAL A 375 14.097 3.471 16.103 1.00 0.00 H new ATOM 0 HA VAL A 375 15.613 5.200 14.815 1.00 0.00 H new ATOM 0 HB VAL A 375 16.271 2.875 15.266 1.00 0.00 H new ATOM 0 HG11 VAL A 375 15.605 1.055 13.751 1.00 0.00 H new ATOM 0 HG12 VAL A 375 14.204 1.762 14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 375 14.523 2.173 12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 375 17.578 2.446 13.224 1.00 0.00 H new ATOM 0 HG22 VAL A 375 16.577 3.623 12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 375 17.613 4.166 13.682 1.00 0.00 H new ATOM 143 N GLU A 376 15.153 5.635 12.367 1.00 0.00 N ATOM 144 CA GLU A 376 14.730 6.083 11.046 1.00 0.00 C ATOM 145 C GLU A 376 14.877 4.965 10.019 1.00 0.00 C ATOM 146 O GLU A 376 15.691 4.056 10.185 1.00 0.00 O ATOM 147 CB GLU A 376 15.547 7.301 10.610 1.00 0.00 C ATOM 148 CG GLU A 376 14.941 8.053 9.438 1.00 0.00 C ATOM 149 CD GLU A 376 13.717 8.858 9.831 1.00 0.00 C ATOM 150 OE1 GLU A 376 13.870 9.832 10.597 1.00 0.00 O ATOM 151 OE2 GLU A 376 12.608 8.514 9.372 1.00 0.00 O ATOM 0 H GLU A 376 16.036 6.035 12.686 1.00 0.00 H new ATOM 0 HA GLU A 376 13.678 6.362 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 376 15.647 7.982 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.552 6.976 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 376 15.690 8.722 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 376 14.669 7.343 8.657 1.00 0.00 H new ATOM 158 N VAL A 377 14.082 5.037 8.956 1.00 0.00 N ATOM 159 CA VAL A 377 14.123 4.032 7.900 1.00 0.00 C ATOM 160 C VAL A 377 15.421 4.121 7.107 1.00 0.00 C ATOM 161 O VAL A 377 15.882 5.211 6.769 1.00 0.00 O ATOM 162 CB VAL A 377 12.933 4.184 6.934 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.031 3.173 5.802 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.617 4.032 7.682 1.00 0.00 C ATOM 0 H VAL A 377 13.401 5.781 8.803 1.00 0.00 H new ATOM 0 HA VAL A 377 14.064 3.059 8.387 1.00 0.00 H new ATOM 0 HB VAL A 377 12.965 5.184 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.182 3.296 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.957 3.334 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.025 2.164 6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 377 10.787 4.142 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.573 3.046 8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.546 4.799 8.454 1.00 0.00 H new ATOM 174 N ASP A 378 16.008 2.966 6.813 1.00 0.00 N ATOM 175 CA ASP A 378 17.254 2.912 6.057 1.00 0.00 C ATOM 176 C ASP A 378 17.042 3.391 4.625 1.00 0.00 C ATOM 177 O ASP A 378 17.673 4.352 4.182 1.00 0.00 O ATOM 178 CB ASP A 378 17.812 1.487 6.054 1.00 0.00 C ATOM 179 CG ASP A 378 19.315 1.455 5.860 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.043 1.844 6.797 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.764 1.041 4.770 1.00 0.00 O ATOM 0 H ASP A 378 15.641 2.055 7.087 1.00 0.00 H new ATOM 0 HA ASP A 378 17.972 3.575 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 378 17.560 0.999 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.334 0.914 5.260 1.00 0.00 H new ATOM 186 N ARG A 379 16.152 2.716 3.905 1.00 0.00 N ATOM 187 CA ARG A 379 15.859 3.072 2.522 1.00 0.00 C ATOM 188 C ARG A 379 14.722 2.218 1.970 1.00 0.00 C ATOM 189 O ARG A 379 14.117 1.428 2.696 1.00 0.00 O ATOM 190 CB ARG A 379 17.107 2.901 1.654 1.00 0.00 C ATOM 191 CG ARG A 379 17.618 1.471 1.596 1.00 0.00 C ATOM 192 CD ARG A 379 16.986 0.700 0.447 1.00 0.00 C ATOM 193 NE ARG A 379 17.282 1.308 -0.848 1.00 0.00 N ATOM 194 CZ ARG A 379 18.437 1.156 -1.485 1.00 0.00 C ATOM 195 NH1 ARG A 379 19.401 0.418 -0.949 1.00 0.00 N ATOM 196 NH2 ARG A 379 18.631 1.741 -2.660 1.00 0.00 N ATOM 0 H ARG A 379 15.621 1.919 4.257 1.00 0.00 H new ATOM 0 HA ARG A 379 15.549 4.117 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 379 16.884 3.239 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 379 17.898 3.545 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.702 1.475 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.400 0.967 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 379 17.349 -0.328 0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 379 15.906 0.658 0.589 1.00 0.00 H new ATOM 0 HE ARG A 379 16.561 1.881 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 379 19.255 -0.034 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 379 20.288 0.302 -1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 379 17.892 2.309 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 379 19.519 1.623 -3.148 1.00 0.00 H new ATOM 210 N ILE A 380 14.436 2.383 0.683 1.00 0.00 N ATOM 211 CA ILE A 380 13.372 1.627 0.035 1.00 0.00 C ATOM 212 C ILE A 380 13.936 0.658 -0.998 1.00 0.00 C ATOM 213 O ILE A 380 14.829 1.008 -1.771 1.00 0.00 O ATOM 214 CB ILE A 380 12.357 2.560 -0.654 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.799 3.571 0.350 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.232 1.749 -1.280 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.089 4.738 -0.300 1.00 0.00 C ATOM 0 H ILE A 380 14.926 3.033 0.069 1.00 0.00 H new ATOM 0 HA ILE A 380 12.864 1.064 0.818 1.00 0.00 H new ATOM 0 HB ILE A 380 12.867 3.107 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.106 3.062 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.616 3.949 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.523 2.422 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.645 1.065 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.720 1.178 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.719 5.414 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.784 5.272 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.251 4.370 -0.892 1.00 0.00 H new ATOM 229 N LEU A 381 13.410 -0.561 -1.007 1.00 0.00 N ATOM 230 CA LEU A 381 13.860 -1.582 -1.947 1.00 0.00 C ATOM 231 C LEU A 381 13.055 -1.523 -3.242 1.00 0.00 C ATOM 232 O LEU A 381 13.604 -1.267 -4.313 1.00 0.00 O ATOM 233 CB LEU A 381 13.736 -2.971 -1.320 1.00 0.00 C ATOM 234 CG LEU A 381 14.854 -3.375 -0.358 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.450 -4.601 0.446 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.145 -3.637 -1.121 1.00 0.00 C ATOM 0 H LEU A 381 12.671 -0.867 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 381 14.907 -1.388 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.787 -3.023 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.691 -3.707 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 381 15.025 -2.552 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.258 -4.873 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.552 -4.379 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.250 -5.431 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.930 -3.923 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.987 -4.443 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.444 -2.733 -1.651 1.00 0.00 H new ATOM 248 N GLU A 382 11.751 -1.759 -3.134 1.00 0.00 N ATOM 249 CA GLU A 382 10.872 -1.731 -4.296 1.00 0.00 C ATOM 250 C GLU A 382 9.450 -1.348 -3.894 1.00 0.00 C ATOM 251 O GLU A 382 9.074 -1.453 -2.727 1.00 0.00 O ATOM 252 CB GLU A 382 10.867 -3.093 -4.993 1.00 0.00 C ATOM 253 CG GLU A 382 10.632 -3.010 -6.492 1.00 0.00 C ATOM 254 CD GLU A 382 10.227 -4.341 -7.094 1.00 0.00 C ATOM 255 OE1 GLU A 382 9.232 -4.928 -6.619 1.00 0.00 O ATOM 256 OE2 GLU A 382 10.904 -4.796 -8.039 1.00 0.00 O ATOM 0 H GLU A 382 11.281 -1.971 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 382 11.251 -0.978 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.821 -3.588 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.093 -3.717 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 382 9.855 -2.273 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 382 11.541 -2.657 -6.979 1.00 0.00 H new ATOM 263 N VAL A 383 8.665 -0.903 -4.870 1.00 0.00 N ATOM 264 CA VAL A 383 7.285 -0.505 -4.619 1.00 0.00 C ATOM 265 C VAL A 383 6.309 -1.387 -5.390 1.00 0.00 C ATOM 266 O VAL A 383 6.399 -1.510 -6.611 1.00 0.00 O ATOM 267 CB VAL A 383 7.046 0.967 -5.007 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.420 1.203 -6.462 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.599 1.357 -4.750 1.00 0.00 C ATOM 0 H VAL A 383 8.961 -0.809 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 383 7.111 -0.624 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 383 7.684 1.597 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.245 2.248 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.473 0.965 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.811 0.565 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.448 2.400 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.940 0.723 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.370 1.228 -3.692 1.00 0.00 H new ATOM 279 N ALA A 384 5.377 -1.999 -4.668 1.00 0.00 N ATOM 280 CA ALA A 384 4.382 -2.868 -5.284 1.00 0.00 C ATOM 281 C ALA A 384 2.970 -2.347 -5.038 1.00 0.00 C ATOM 282 O ALA A 384 2.710 -1.677 -4.039 1.00 0.00 O ATOM 283 CB ALA A 384 4.522 -4.288 -4.755 1.00 0.00 C ATOM 0 H ALA A 384 5.290 -1.909 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 384 4.557 -2.873 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.773 -4.926 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.517 -4.666 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.376 -4.290 -3.675 1.00 0.00 H new ATOM 289 N HIS A 385 2.061 -2.660 -5.956 1.00 0.00 N ATOM 290 CA HIS A 385 0.674 -2.222 -5.839 1.00 0.00 C ATOM 291 C HIS A 385 -0.277 -3.415 -5.880 1.00 0.00 C ATOM 292 O HIS A 385 -0.278 -4.189 -6.837 1.00 0.00 O ATOM 293 CB HIS A 385 0.330 -1.242 -6.961 1.00 0.00 C ATOM 294 CG HIS A 385 1.310 -0.118 -7.096 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.669 -0.316 -7.230 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.123 1.222 -7.119 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.274 0.854 -7.328 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.359 1.804 -7.264 1.00 0.00 N ATOM 0 H HIS A 385 2.259 -3.215 -6.789 1.00 0.00 H new ATOM 0 HA HIS A 385 0.557 -1.719 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.281 -1.786 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.662 -0.828 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.178 1.738 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.337 1.008 -7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.540 2.807 -7.314 1.00 0.00 H new ATOM 306 N THR A 386 -1.085 -3.557 -4.834 1.00 0.00 N ATOM 307 CA THR A 386 -2.039 -4.655 -4.749 1.00 0.00 C ATOM 308 C THR A 386 -3.385 -4.175 -4.219 1.00 0.00 C ATOM 309 O THR A 386 -3.449 -3.266 -3.391 1.00 0.00 O ATOM 310 CB THR A 386 -1.516 -5.785 -3.841 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.097 -5.247 -2.582 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.354 -6.514 -4.499 1.00 0.00 C ATOM 0 H THR A 386 -1.097 -2.925 -4.034 1.00 0.00 H new ATOM 0 HA THR A 386 -2.167 -5.041 -5.760 1.00 0.00 H new ATOM 0 HB THR A 386 -2.326 -6.496 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.767 -5.971 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.002 -7.307 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.684 -6.947 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 386 0.457 -5.811 -4.686 1.00 0.00 H new ATOM 320 N LYS A 387 -4.459 -4.791 -4.701 1.00 0.00 N ATOM 321 CA LYS A 387 -5.805 -4.428 -4.274 1.00 0.00 C ATOM 322 C LYS A 387 -6.161 -5.108 -2.956 1.00 0.00 C ATOM 323 O LYS A 387 -5.501 -6.061 -2.541 1.00 0.00 O ATOM 324 CB LYS A 387 -6.824 -4.813 -5.349 1.00 0.00 C ATOM 325 CG LYS A 387 -7.059 -6.309 -5.458 1.00 0.00 C ATOM 326 CD LYS A 387 -8.143 -6.632 -6.472 1.00 0.00 C ATOM 327 CE LYS A 387 -9.532 -6.419 -5.890 1.00 0.00 C ATOM 328 NZ LYS A 387 -10.588 -7.049 -6.729 1.00 0.00 N ATOM 0 H LYS A 387 -4.423 -5.544 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.832 -3.349 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.772 -4.320 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.482 -4.436 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.131 -6.804 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.342 -6.705 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.017 -6.004 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -8.039 -7.666 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.572 -6.835 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.728 -5.351 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -11.520 -6.881 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -10.567 -6.634 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -10.416 -8.073 -6.793 1.00 0.00 H new ATOM 342 N ASP A 388 -7.207 -4.614 -2.304 1.00 0.00 N ATOM 343 CA ASP A 388 -7.651 -5.176 -1.034 1.00 0.00 C ATOM 344 C ASP A 388 -8.813 -6.142 -1.244 1.00 0.00 C ATOM 345 O ASP A 388 -9.314 -6.293 -2.358 1.00 0.00 O ATOM 346 CB ASP A 388 -8.067 -4.059 -0.075 1.00 0.00 C ATOM 347 CG ASP A 388 -8.209 -4.546 1.354 1.00 0.00 C ATOM 348 OD1 ASP A 388 -7.178 -4.894 1.966 1.00 0.00 O ATOM 349 OD2 ASP A 388 -9.350 -4.579 1.860 1.00 0.00 O ATOM 0 H ASP A 388 -7.764 -3.825 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 388 -6.818 -5.727 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -7.328 -3.259 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.014 -3.633 -0.407 1.00 0.00 H new ATOM 354 N ALA A 389 -9.236 -6.794 -0.166 1.00 0.00 N ATOM 355 CA ALA A 389 -10.339 -7.745 -0.232 1.00 0.00 C ATOM 356 C ALA A 389 -11.582 -7.193 0.457 1.00 0.00 C ATOM 357 O ALA A 389 -12.689 -7.286 -0.072 1.00 0.00 O ATOM 358 CB ALA A 389 -9.931 -9.071 0.394 1.00 0.00 C ATOM 0 H ALA A 389 -8.832 -6.681 0.764 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.581 -7.910 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.764 -9.772 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.076 -9.480 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.660 -8.912 1.438 1.00 0.00 H new ATOM 364 N GLU A 390 -11.391 -6.617 1.641 1.00 0.00 N ATOM 365 CA GLU A 390 -12.498 -6.051 2.402 1.00 0.00 C ATOM 366 C GLU A 390 -13.174 -4.926 1.624 1.00 0.00 C ATOM 367 O GLU A 390 -14.401 -4.860 1.543 1.00 0.00 O ATOM 368 CB GLU A 390 -12.003 -5.528 3.752 1.00 0.00 C ATOM 369 CG GLU A 390 -11.473 -6.617 4.670 1.00 0.00 C ATOM 370 CD GLU A 390 -10.149 -7.184 4.198 1.00 0.00 C ATOM 371 OE1 GLU A 390 -9.275 -6.390 3.792 1.00 0.00 O ATOM 372 OE2 GLU A 390 -9.986 -8.421 4.234 1.00 0.00 O ATOM 0 H GLU A 390 -10.481 -6.531 2.093 1.00 0.00 H new ATOM 0 HA GLU A 390 -13.229 -6.841 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -11.216 -4.794 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -12.820 -5.009 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -11.353 -6.213 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -12.206 -7.421 4.735 1.00 0.00 H new ATOM 379 N THR A 391 -12.364 -4.040 1.053 1.00 0.00 N ATOM 380 CA THR A 391 -12.882 -2.916 0.283 1.00 0.00 C ATOM 381 C THR A 391 -12.814 -3.197 -1.214 1.00 0.00 C ATOM 382 O THR A 391 -13.822 -3.123 -1.915 1.00 0.00 O ATOM 383 CB THR A 391 -12.104 -1.621 0.587 1.00 0.00 C ATOM 384 OG1 THR A 391 -10.697 -1.854 0.460 1.00 0.00 O ATOM 385 CG2 THR A 391 -12.416 -1.119 1.988 1.00 0.00 C ATOM 0 H THR A 391 -11.346 -4.079 1.109 1.00 0.00 H new ATOM 0 HA THR A 391 -13.923 -2.784 0.578 1.00 0.00 H new ATOM 0 HB THR A 391 -12.412 -0.861 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 391 -10.210 -1.026 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 391 -11.855 -0.204 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 391 -13.483 -0.915 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 391 -12.133 -1.878 2.718 1.00 0.00 H new ATOM 393 N GLY A 392 -11.618 -3.519 -1.697 1.00 0.00 N ATOM 394 CA GLY A 392 -11.442 -3.807 -3.109 1.00 0.00 C ATOM 395 C GLY A 392 -10.904 -2.618 -3.880 1.00 0.00 C ATOM 396 O GLY A 392 -11.335 -2.351 -5.001 1.00 0.00 O ATOM 0 H GLY A 392 -10.768 -3.586 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.759 -4.649 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.397 -4.111 -3.537 1.00 0.00 H new ATOM 400 N GLU A 393 -9.961 -1.901 -3.277 1.00 0.00 N ATOM 401 CA GLU A 393 -9.366 -0.732 -3.914 1.00 0.00 C ATOM 402 C GLU A 393 -7.880 -0.955 -4.180 1.00 0.00 C ATOM 403 O GLU A 393 -7.209 -1.676 -3.443 1.00 0.00 O ATOM 404 CB GLU A 393 -9.558 0.508 -3.038 1.00 0.00 C ATOM 405 CG GLU A 393 -10.991 1.014 -3.006 1.00 0.00 C ATOM 406 CD GLU A 393 -11.574 1.203 -4.392 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.797 1.481 -5.330 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.807 1.073 -4.540 1.00 0.00 O ATOM 0 H GLU A 393 -9.593 -2.109 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.869 -0.575 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.240 0.277 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.908 1.304 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.609 0.309 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.026 1.962 -2.469 1.00 0.00 H new ATOM 415 N GLU A 394 -7.374 -0.330 -5.239 1.00 0.00 N ATOM 416 CA GLU A 394 -5.968 -0.461 -5.604 1.00 0.00 C ATOM 417 C GLU A 394 -5.069 0.139 -4.527 1.00 0.00 C ATOM 418 O GLU A 394 -4.776 1.335 -4.543 1.00 0.00 O ATOM 419 CB GLU A 394 -5.701 0.221 -6.947 1.00 0.00 C ATOM 420 CG GLU A 394 -6.340 -0.489 -8.128 1.00 0.00 C ATOM 421 CD GLU A 394 -5.850 0.041 -9.462 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.664 -0.175 -9.787 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.653 0.673 -10.180 1.00 0.00 O ATOM 0 H GLU A 394 -7.916 0.272 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.739 -1.523 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.073 1.245 -6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.624 0.279 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -6.126 -1.556 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -7.423 -0.377 -8.072 1.00 0.00 H new ATOM 430 N VAL A 395 -4.634 -0.699 -3.592 1.00 0.00 N ATOM 431 CA VAL A 395 -3.768 -0.252 -2.507 1.00 0.00 C ATOM 432 C VAL A 395 -2.301 -0.308 -2.917 1.00 0.00 C ATOM 433 O VAL A 395 -1.821 -1.330 -3.410 1.00 0.00 O ATOM 434 CB VAL A 395 -3.969 -1.105 -1.241 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.031 -0.648 -0.134 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.418 -1.044 -0.782 1.00 0.00 C ATOM 0 H VAL A 395 -4.867 -1.692 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 395 -4.042 0.780 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.731 -2.141 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.188 -1.263 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.998 -0.749 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.234 0.395 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.542 -1.653 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.686 -0.011 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.066 -1.424 -1.572 1.00 0.00 H new ATOM 446 N THR A 396 -1.592 0.797 -2.710 1.00 0.00 N ATOM 447 CA THR A 396 -0.179 0.874 -3.058 1.00 0.00 C ATOM 448 C THR A 396 0.702 0.539 -1.860 1.00 0.00 C ATOM 449 O THR A 396 0.725 1.270 -0.869 1.00 0.00 O ATOM 450 CB THR A 396 0.195 2.275 -3.580 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.611 2.606 -4.716 1.00 0.00 O ATOM 452 CG2 THR A 396 1.667 2.335 -3.961 1.00 0.00 C ATOM 0 H THR A 396 -1.973 1.651 -2.303 1.00 0.00 H new ATOM 0 HA THR A 396 -0.008 0.142 -3.847 1.00 0.00 H new ATOM 0 HB THR A 396 0.012 2.996 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.368 3.498 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 396 1.908 3.333 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.279 2.111 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.871 1.603 -4.743 1.00 0.00 H new ATOM 460 N HIS A 397 1.428 -0.571 -1.957 1.00 0.00 N ATOM 461 CA HIS A 397 2.312 -1.002 -0.881 1.00 0.00 C ATOM 462 C HIS A 397 3.764 -0.660 -1.200 1.00 0.00 C ATOM 463 O HIS A 397 4.190 -0.733 -2.353 1.00 0.00 O ATOM 464 CB HIS A 397 2.170 -2.507 -0.647 1.00 0.00 C ATOM 465 CG HIS A 397 0.975 -2.875 0.177 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.300 -2.957 -0.342 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.866 -3.185 1.490 1.00 0.00 C ATOM 468 CE1 HIS A 397 -1.142 -3.301 0.617 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.459 -3.445 1.738 1.00 0.00 N ATOM 0 H HIS A 397 1.421 -1.187 -2.770 1.00 0.00 H new ATOM 0 HA HIS A 397 2.023 -0.472 0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.106 -3.012 -1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.069 -2.876 -0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.671 -3.221 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -2.207 -3.441 0.503 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.852 -3.707 2.642 1.00 0.00 H new ATOM 477 N TYR A 398 4.519 -0.286 -0.173 1.00 0.00 N ATOM 478 CA TYR A 398 5.922 0.070 -0.345 1.00 0.00 C ATOM 479 C TYR A 398 6.816 -0.796 0.537 1.00 0.00 C ATOM 480 O TYR A 398 6.641 -0.852 1.754 1.00 0.00 O ATOM 481 CB TYR A 398 6.138 1.548 -0.015 1.00 0.00 C ATOM 482 CG TYR A 398 5.744 2.483 -1.136 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.419 2.855 -1.323 1.00 0.00 C ATOM 484 CD2 TYR A 398 6.697 2.994 -2.009 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.053 3.709 -2.346 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.341 3.849 -3.033 1.00 0.00 C ATOM 487 CZ TYR A 398 5.018 4.203 -3.198 1.00 0.00 C ATOM 488 OH TYR A 398 4.660 5.054 -4.219 1.00 0.00 O ATOM 0 H TYR A 398 4.182 -0.222 0.788 1.00 0.00 H new ATOM 0 HA TYR A 398 6.191 -0.106 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.563 1.800 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.189 1.708 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.661 2.470 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 398 7.734 2.718 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.018 3.988 -2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.095 4.239 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 398 5.458 5.311 -4.726 1.00 0.00 H new ATOM 498 N LEU A 399 7.777 -1.469 -0.087 1.00 0.00 N ATOM 499 CA LEU A 399 8.701 -2.333 0.639 1.00 0.00 C ATOM 500 C LEU A 399 9.664 -1.508 1.489 1.00 0.00 C ATOM 501 O LEU A 399 10.684 -1.027 0.998 1.00 0.00 O ATOM 502 CB LEU A 399 9.487 -3.208 -0.338 1.00 0.00 C ATOM 503 CG LEU A 399 10.564 -4.102 0.278 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.955 -5.034 1.315 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.278 -4.899 -0.804 1.00 0.00 C ATOM 0 H LEU A 399 7.936 -1.433 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 399 8.117 -2.973 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.781 -3.841 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 399 9.960 -2.560 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 399 11.296 -3.466 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.736 -5.663 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.490 -4.445 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.202 -5.663 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 399 12.041 -5.530 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.557 -5.525 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.748 -4.214 -1.510 1.00 0.00 H new ATOM 517 N VAL A 400 9.332 -1.352 2.766 1.00 0.00 N ATOM 518 CA VAL A 400 10.168 -0.589 3.685 1.00 0.00 C ATOM 519 C VAL A 400 11.393 -1.392 4.108 1.00 0.00 C ATOM 520 O VAL A 400 11.274 -2.444 4.737 1.00 0.00 O ATOM 521 CB VAL A 400 9.383 -0.170 4.942 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.311 0.476 5.960 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.247 0.771 4.571 1.00 0.00 C ATOM 0 H VAL A 400 8.490 -1.744 3.188 1.00 0.00 H new ATOM 0 HA VAL A 400 10.490 0.306 3.152 1.00 0.00 H new ATOM 0 HB VAL A 400 8.951 -1.063 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 400 9.739 0.766 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.086 -0.234 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 400 10.774 1.360 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 400 7.703 1.057 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.654 1.663 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.569 0.268 3.881 1.00 0.00 H new ATOM 533 N LYS A 401 12.573 -0.888 3.761 1.00 0.00 N ATOM 534 CA LYS A 401 13.822 -1.556 4.105 1.00 0.00 C ATOM 535 C LYS A 401 14.521 -0.842 5.258 1.00 0.00 C ATOM 536 O LYS A 401 15.083 0.239 5.081 1.00 0.00 O ATOM 537 CB LYS A 401 14.748 -1.610 2.888 1.00 0.00 C ATOM 538 CG LYS A 401 16.197 -1.901 3.239 1.00 0.00 C ATOM 539 CD LYS A 401 16.391 -3.352 3.647 1.00 0.00 C ATOM 540 CE LYS A 401 17.794 -3.598 4.180 1.00 0.00 C ATOM 541 NZ LYS A 401 18.769 -3.848 3.083 1.00 0.00 N ATOM 0 H LYS A 401 12.690 -0.018 3.241 1.00 0.00 H new ATOM 0 HA LYS A 401 13.586 -2.573 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.388 -2.377 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 401 14.695 -0.658 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 401 16.832 -1.675 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.514 -1.248 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.659 -3.618 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.207 -4.000 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.117 -2.736 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 401 17.781 -4.453 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 19.713 -4.011 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.475 -4.686 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 18.801 -3.022 2.452 1.00 0.00 H new ATOM 555 N TRP A 402 14.483 -1.453 6.436 1.00 0.00 N ATOM 556 CA TRP A 402 15.114 -0.875 7.617 1.00 0.00 C ATOM 557 C TRP A 402 16.112 -1.850 8.233 1.00 0.00 C ATOM 558 O TRP A 402 15.726 -2.799 8.916 1.00 0.00 O ATOM 559 CB TRP A 402 14.054 -0.491 8.651 1.00 0.00 C ATOM 560 CG TRP A 402 12.908 -1.455 8.714 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.942 -2.788 8.416 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.561 -1.161 9.097 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.695 -3.340 8.590 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.831 -2.363 9.009 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.900 -0.001 9.508 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.474 -2.434 9.315 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.554 -0.073 9.811 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.853 -1.282 9.715 1.00 0.00 C ATOM 0 H TRP A 402 14.022 -2.348 6.599 1.00 0.00 H new ATOM 0 HA TRP A 402 15.652 0.021 7.309 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.521 -0.429 9.634 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.671 0.502 8.417 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.819 -3.328 8.092 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.452 -4.318 8.433 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.432 0.936 9.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.931 -3.365 9.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.033 0.819 10.127 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.802 -1.305 9.962 1.00 0.00 H new ATOM 579 N CYS A 403 17.395 -1.609 7.987 1.00 0.00 N ATOM 580 CA CYS A 403 18.449 -2.467 8.518 1.00 0.00 C ATOM 581 C CYS A 403 18.157 -2.858 9.962 1.00 0.00 C ATOM 582 O CYS A 403 18.181 -4.037 10.314 1.00 0.00 O ATOM 583 CB CYS A 403 19.802 -1.760 8.432 1.00 0.00 C ATOM 584 SG CYS A 403 21.213 -2.813 8.843 1.00 0.00 S ATOM 0 H CYS A 403 17.731 -0.828 7.424 1.00 0.00 H new ATOM 0 HA CYS A 403 18.482 -3.375 7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.934 -1.372 7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.795 -0.902 9.104 1.00 0.00 H new ATOM 0 HG CYS A 403 22.312 -2.126 8.739 1.00 0.00 H new ATOM 590 N SER A 404 17.881 -1.860 10.796 1.00 0.00 N ATOM 591 CA SER A 404 17.589 -2.099 12.204 1.00 0.00 C ATOM 592 C SER A 404 16.861 -3.426 12.391 1.00 0.00 C ATOM 593 O SER A 404 17.143 -4.176 13.327 1.00 0.00 O ATOM 594 CB SER A 404 16.744 -0.957 12.773 1.00 0.00 C ATOM 595 OG SER A 404 17.384 0.294 12.584 1.00 0.00 O ATOM 0 H SER A 404 17.854 -0.878 10.520 1.00 0.00 H new ATOM 0 HA SER A 404 18.536 -2.145 12.742 1.00 0.00 H new ATOM 0 HB2 SER A 404 15.768 -0.946 12.289 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.571 -1.123 13.836 1.00 0.00 H new ATOM 0 HG SER A 404 16.834 0.858 12.001 1.00 0.00 H new ATOM 601 N LEU A 405 15.924 -3.711 11.494 1.00 0.00 N ATOM 602 CA LEU A 405 15.154 -4.948 11.557 1.00 0.00 C ATOM 603 C LEU A 405 15.770 -6.020 10.664 1.00 0.00 C ATOM 604 O LEU A 405 16.511 -5.729 9.724 1.00 0.00 O ATOM 605 CB LEU A 405 13.705 -4.692 11.141 1.00 0.00 C ATOM 606 CG LEU A 405 12.794 -4.094 12.214 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.575 -3.445 11.577 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.372 -5.163 13.212 1.00 0.00 C ATOM 0 H LEU A 405 15.679 -3.102 10.714 1.00 0.00 H new ATOM 0 HA LEU A 405 15.172 -5.305 12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.708 -4.022 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.271 -5.635 10.809 1.00 0.00 H new ATOM 0 HG LEU A 405 13.351 -3.325 12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.938 -3.025 12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.896 -2.651 10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.016 -4.194 11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.724 -4.719 13.968 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.833 -5.954 12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.256 -5.582 13.692 1.00 0.00 H new ATOM 620 N PRO A 406 15.457 -7.290 10.960 1.00 0.00 N ATOM 621 CA PRO A 406 15.968 -8.430 10.193 1.00 0.00 C ATOM 622 C PRO A 406 15.365 -8.505 8.795 1.00 0.00 C ATOM 623 O PRO A 406 14.145 -8.565 8.636 1.00 0.00 O ATOM 624 CB PRO A 406 15.536 -9.640 11.027 1.00 0.00 C ATOM 625 CG PRO A 406 14.345 -9.169 11.788 1.00 0.00 C ATOM 626 CD PRO A 406 14.581 -7.710 12.066 1.00 0.00 C ATOM 0 HA PRO A 406 17.045 -8.365 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.289 -10.491 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.332 -9.963 11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.431 -9.313 11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.228 -9.729 12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.648 -7.147 12.076 1.00 0.00 H new ATOM 0 HD3 PRO A 406 15.056 -7.557 13.035 1.00 0.00 H new ATOM 634 N TYR A 407 16.226 -8.501 7.783 1.00 0.00 N ATOM 635 CA TYR A 407 15.777 -8.567 6.398 1.00 0.00 C ATOM 636 C TYR A 407 14.607 -9.533 6.249 1.00 0.00 C ATOM 637 O TYR A 407 13.515 -9.143 5.837 1.00 0.00 O ATOM 638 CB TYR A 407 16.928 -8.998 5.487 1.00 0.00 C ATOM 639 CG TYR A 407 16.657 -8.768 4.017 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.768 -7.499 3.461 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.288 -9.818 3.186 1.00 0.00 C ATOM 642 CE1 TYR A 407 16.520 -7.284 2.119 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.040 -9.612 1.843 1.00 0.00 C ATOM 644 CZ TYR A 407 16.157 -8.343 1.314 1.00 0.00 C ATOM 645 OH TYR A 407 15.909 -8.134 -0.023 1.00 0.00 O ATOM 0 H TYR A 407 17.239 -8.453 7.896 1.00 0.00 H new ATOM 0 HA TYR A 407 15.442 -7.572 6.104 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.828 -8.453 5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.131 -10.057 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 407 17.053 -6.667 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.193 -10.812 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 407 16.610 -6.292 1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.756 -10.440 1.210 1.00 0.00 H new ATOM 0 HH TYR A 407 15.666 -8.983 -0.447 1.00 0.00 H new ATOM 655 N GLU A 408 14.844 -10.797 6.588 1.00 0.00 N ATOM 656 CA GLU A 408 13.809 -11.820 6.493 1.00 0.00 C ATOM 657 C GLU A 408 12.435 -11.234 6.802 1.00 0.00 C ATOM 658 O GLU A 408 11.435 -11.617 6.194 1.00 0.00 O ATOM 659 CB GLU A 408 14.112 -12.973 7.451 1.00 0.00 C ATOM 660 CG GLU A 408 13.044 -14.054 7.459 1.00 0.00 C ATOM 661 CD GLU A 408 13.484 -15.305 8.195 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.371 -15.197 9.068 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.943 -16.390 7.898 1.00 0.00 O ATOM 0 H GLU A 408 15.743 -11.136 6.930 1.00 0.00 H new ATOM 0 HA GLU A 408 13.801 -12.199 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 408 15.068 -13.420 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 408 14.223 -12.576 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 408 12.140 -13.662 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.787 -14.313 6.432 1.00 0.00 H new ATOM 670 N GLU A 409 12.394 -10.304 7.751 1.00 0.00 N ATOM 671 CA GLU A 409 11.142 -9.667 8.142 1.00 0.00 C ATOM 672 C GLU A 409 10.893 -8.406 7.318 1.00 0.00 C ATOM 673 O GLU A 409 10.525 -7.363 7.857 1.00 0.00 O ATOM 674 CB GLU A 409 11.163 -9.320 9.632 1.00 0.00 C ATOM 675 CG GLU A 409 11.114 -10.537 10.541 1.00 0.00 C ATOM 676 CD GLU A 409 9.705 -11.059 10.740 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.988 -10.514 11.605 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.319 -12.013 10.033 1.00 0.00 O ATOM 0 H GLU A 409 13.213 -9.975 8.263 1.00 0.00 H new ATOM 0 HA GLU A 409 10.332 -10.371 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.066 -8.750 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.315 -8.674 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.734 -11.327 10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.543 -10.280 11.510 1.00 0.00 H new ATOM 685 N SER A 410 11.097 -8.512 6.009 1.00 0.00 N ATOM 686 CA SER A 410 10.899 -7.380 5.111 1.00 0.00 C ATOM 687 C SER A 410 9.415 -7.149 4.847 1.00 0.00 C ATOM 688 O SER A 410 8.782 -7.893 4.097 1.00 0.00 O ATOM 689 CB SER A 410 11.633 -7.616 3.790 1.00 0.00 C ATOM 690 OG SER A 410 12.956 -7.111 3.844 1.00 0.00 O ATOM 0 H SER A 410 11.399 -9.370 5.547 1.00 0.00 H new ATOM 0 HA SER A 410 11.307 -6.491 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.657 -8.683 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 410 11.089 -7.134 2.977 1.00 0.00 H new ATOM 0 HG SER A 410 13.477 -7.627 4.495 1.00 0.00 H new ATOM 696 N THR A 411 8.863 -6.112 5.470 1.00 0.00 N ATOM 697 CA THR A 411 7.454 -5.782 5.304 1.00 0.00 C ATOM 698 C THR A 411 7.266 -4.670 4.278 1.00 0.00 C ATOM 699 O THR A 411 8.233 -4.043 3.845 1.00 0.00 O ATOM 700 CB THR A 411 6.818 -5.346 6.638 1.00 0.00 C ATOM 701 OG1 THR A 411 5.390 -5.373 6.533 1.00 0.00 O ATOM 702 CG2 THR A 411 7.277 -3.949 7.025 1.00 0.00 C ATOM 0 H THR A 411 9.372 -5.486 6.095 1.00 0.00 H new ATOM 0 HA THR A 411 6.958 -6.686 4.951 1.00 0.00 H new ATOM 0 HB THR A 411 7.137 -6.044 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.994 -5.096 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.815 -3.663 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.362 -3.939 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 411 6.984 -3.242 6.249 1.00 0.00 H new ATOM 710 N TRP A 412 6.017 -4.430 3.895 1.00 0.00 N ATOM 711 CA TRP A 412 5.703 -3.392 2.920 1.00 0.00 C ATOM 712 C TRP A 412 4.705 -2.392 3.492 1.00 0.00 C ATOM 713 O TRP A 412 3.494 -2.569 3.365 1.00 0.00 O ATOM 714 CB TRP A 412 5.142 -4.018 1.642 1.00 0.00 C ATOM 715 CG TRP A 412 6.047 -5.049 1.038 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.506 -6.187 1.637 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.603 -5.035 -0.281 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.314 -6.882 0.770 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.389 -6.196 -0.414 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.512 -4.156 -1.363 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.079 -6.497 -1.585 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.197 -4.456 -2.525 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.972 -5.619 -2.629 1.00 0.00 C ATOM 0 H TRP A 412 5.206 -4.940 4.245 1.00 0.00 H new ATOM 0 HA TRP A 412 6.624 -2.861 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.178 -4.476 1.863 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.960 -3.231 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.269 -6.495 2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.782 -7.765 0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.917 -3.258 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.678 -7.392 -1.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.134 -3.783 -3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.495 -5.826 -3.551 1.00 0.00 H new ATOM 734 N GLU A 413 5.221 -1.341 4.121 1.00 0.00 N ATOM 735 CA GLU A 413 4.372 -0.313 4.712 1.00 0.00 C ATOM 736 C GLU A 413 3.618 0.458 3.633 1.00 0.00 C ATOM 737 O GLU A 413 4.099 0.605 2.508 1.00 0.00 O ATOM 738 CB GLU A 413 5.212 0.653 5.551 1.00 0.00 C ATOM 739 CG GLU A 413 6.002 -0.029 6.656 1.00 0.00 C ATOM 740 CD GLU A 413 5.137 -0.918 7.528 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.953 -2.100 7.172 1.00 0.00 O ATOM 742 OE2 GLU A 413 4.644 -0.431 8.567 1.00 0.00 O ATOM 0 H GLU A 413 6.222 -1.179 4.234 1.00 0.00 H new ATOM 0 HA GLU A 413 3.645 -0.806 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.903 1.183 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.555 1.401 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.799 -0.626 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.480 0.729 7.277 1.00 0.00 H new ATOM 749 N LEU A 414 2.434 0.947 3.982 1.00 0.00 N ATOM 750 CA LEU A 414 1.611 1.703 3.043 1.00 0.00 C ATOM 751 C LEU A 414 2.372 2.909 2.501 1.00 0.00 C ATOM 752 O LEU A 414 3.479 3.207 2.947 1.00 0.00 O ATOM 753 CB LEU A 414 0.320 2.163 3.722 1.00 0.00 C ATOM 754 CG LEU A 414 -0.453 1.091 4.491 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.533 1.727 5.353 1.00 0.00 C ATOM 756 CD2 LEU A 414 -1.062 0.081 3.530 1.00 0.00 C ATOM 0 H LEU A 414 2.021 0.834 4.908 1.00 0.00 H new ATOM 0 HA LEU A 414 1.362 1.049 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.564 2.971 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.338 2.581 2.960 1.00 0.00 H new ATOM 0 HG LEU A 414 0.244 0.567 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.073 0.949 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.073 2.411 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.228 2.277 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.608 -0.675 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.745 0.591 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.269 -0.398 2.955 1.00 0.00 H new ATOM 768 N GLU A 415 1.769 3.598 1.537 1.00 0.00 N ATOM 769 CA GLU A 415 2.390 4.772 0.936 1.00 0.00 C ATOM 770 C GLU A 415 2.413 5.939 1.919 1.00 0.00 C ATOM 771 O GLU A 415 3.357 6.728 1.939 1.00 0.00 O ATOM 772 CB GLU A 415 1.642 5.177 -0.336 1.00 0.00 C ATOM 773 CG GLU A 415 2.227 6.399 -1.023 1.00 0.00 C ATOM 774 CD GLU A 415 1.268 7.024 -2.018 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.017 6.404 -3.072 1.00 0.00 O ATOM 776 OE2 GLU A 415 0.769 8.135 -1.741 1.00 0.00 O ATOM 0 H GLU A 415 0.852 3.364 1.156 1.00 0.00 H new ATOM 0 HA GLU A 415 3.418 4.516 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.650 4.340 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 415 0.599 5.375 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.498 7.140 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.146 6.117 -1.537 1.00 0.00 H new ATOM 783 N GLU A 416 1.365 6.042 2.731 1.00 0.00 N ATOM 784 CA GLU A 416 1.265 7.113 3.715 1.00 0.00 C ATOM 785 C GLU A 416 1.998 6.742 5.001 1.00 0.00 C ATOM 786 O GLU A 416 1.535 7.042 6.101 1.00 0.00 O ATOM 787 CB GLU A 416 -0.203 7.417 4.022 1.00 0.00 C ATOM 788 CG GLU A 416 -0.967 6.229 4.581 1.00 0.00 C ATOM 789 CD GLU A 416 -2.421 6.551 4.866 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.697 7.673 5.341 1.00 0.00 O ATOM 791 OE2 GLU A 416 -3.282 5.683 4.616 1.00 0.00 O ATOM 0 H GLU A 416 0.574 5.397 2.727 1.00 0.00 H new ATOM 0 HA GLU A 416 1.734 8.003 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.253 8.239 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.693 7.757 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.914 5.402 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -0.487 5.893 5.500 1.00 0.00 H new ATOM 798 N ASP A 417 3.144 6.086 4.853 1.00 0.00 N ATOM 799 CA ASP A 417 3.943 5.674 6.001 1.00 0.00 C ATOM 800 C ASP A 417 5.417 5.998 5.782 1.00 0.00 C ATOM 801 O ASP A 417 6.120 6.401 6.710 1.00 0.00 O ATOM 802 CB ASP A 417 3.770 4.176 6.258 1.00 0.00 C ATOM 803 CG ASP A 417 3.963 3.813 7.717 1.00 0.00 C ATOM 804 OD1 ASP A 417 3.203 4.330 8.563 1.00 0.00 O ATOM 805 OD2 ASP A 417 4.873 3.011 8.013 1.00 0.00 O ATOM 0 H ASP A 417 3.540 5.828 3.949 1.00 0.00 H new ATOM 0 HA ASP A 417 3.594 6.227 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.774 3.868 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.485 3.621 5.651 1.00 0.00 H new ATOM 810 N VAL A 418 5.881 5.820 4.549 1.00 0.00 N ATOM 811 CA VAL A 418 7.272 6.093 4.208 1.00 0.00 C ATOM 812 C VAL A 418 7.510 7.589 4.030 1.00 0.00 C ATOM 813 O VAL A 418 6.669 8.301 3.481 1.00 0.00 O ATOM 814 CB VAL A 418 7.688 5.361 2.918 1.00 0.00 C ATOM 815 CG1 VAL A 418 9.104 5.747 2.518 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.567 3.856 3.098 1.00 0.00 C ATOM 0 H VAL A 418 5.313 5.488 3.769 1.00 0.00 H new ATOM 0 HA VAL A 418 7.879 5.727 5.036 1.00 0.00 H new ATOM 0 HB VAL A 418 7.015 5.663 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 418 9.381 5.220 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 418 9.153 6.822 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.794 5.476 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.865 3.354 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 418 8.215 3.534 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.534 3.600 3.333 1.00 0.00 H new ATOM 826 N ASP A 419 8.661 8.058 4.497 1.00 0.00 N ATOM 827 CA ASP A 419 9.012 9.469 4.388 1.00 0.00 C ATOM 828 C ASP A 419 8.984 9.926 2.933 1.00 0.00 C ATOM 829 O ASP A 419 9.389 9.203 2.022 1.00 0.00 O ATOM 830 CB ASP A 419 10.396 9.721 4.988 1.00 0.00 C ATOM 831 CG ASP A 419 10.531 11.113 5.571 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.874 11.393 6.596 1.00 0.00 O ATOM 833 OD2 ASP A 419 11.292 11.924 5.003 1.00 0.00 O ATOM 0 H ASP A 419 9.367 7.482 4.955 1.00 0.00 H new ATOM 0 HA ASP A 419 8.273 10.045 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.590 8.984 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 419 11.154 9.578 4.218 1.00 0.00 H new ATOM 838 N PRO A 420 8.493 11.153 2.707 1.00 0.00 N ATOM 839 CA PRO A 420 8.399 11.733 1.364 1.00 0.00 C ATOM 840 C PRO A 420 9.768 12.067 0.780 1.00 0.00 C ATOM 841 O PRO A 420 9.898 12.317 -0.418 1.00 0.00 O ATOM 842 CB PRO A 420 7.587 13.012 1.585 1.00 0.00 C ATOM 843 CG PRO A 420 7.828 13.372 3.011 1.00 0.00 C ATOM 844 CD PRO A 420 7.991 12.070 3.745 1.00 0.00 C ATOM 0 HA PRO A 420 7.946 11.042 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.912 13.808 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.527 12.846 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.719 13.991 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.994 13.946 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.693 12.161 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 420 7.046 11.724 4.164 1.00 0.00 H new ATOM 852 N ALA A 421 10.786 12.069 1.634 1.00 0.00 N ATOM 853 CA ALA A 421 12.145 12.369 1.202 1.00 0.00 C ATOM 854 C ALA A 421 12.806 11.144 0.578 1.00 0.00 C ATOM 855 O ALA A 421 13.555 11.257 -0.393 1.00 0.00 O ATOM 856 CB ALA A 421 12.972 12.877 2.374 1.00 0.00 C ATOM 0 H ALA A 421 10.695 11.866 2.629 1.00 0.00 H new ATOM 0 HA ALA A 421 12.094 13.149 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.985 13.097 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.518 13.784 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 421 13.007 12.115 3.152 1.00 0.00 H new ATOM 862 N LYS A 422 12.525 9.974 1.142 1.00 0.00 N ATOM 863 CA LYS A 422 13.091 8.727 0.641 1.00 0.00 C ATOM 864 C LYS A 422 12.451 8.334 -0.687 1.00 0.00 C ATOM 865 O LYS A 422 13.146 8.016 -1.652 1.00 0.00 O ATOM 866 CB LYS A 422 12.896 7.607 1.665 1.00 0.00 C ATOM 867 CG LYS A 422 13.745 7.771 2.914 1.00 0.00 C ATOM 868 CD LYS A 422 15.117 7.140 2.742 1.00 0.00 C ATOM 869 CE LYS A 422 15.910 7.170 4.040 1.00 0.00 C ATOM 870 NZ LYS A 422 16.168 8.562 4.501 1.00 0.00 N ATOM 0 H LYS A 422 11.908 9.863 1.947 1.00 0.00 H new ATOM 0 HA LYS A 422 14.158 8.880 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.845 7.568 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 422 13.134 6.652 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.857 8.831 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 422 13.237 7.314 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 422 15.005 6.109 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 422 15.668 7.670 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.364 6.627 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 422 16.859 6.653 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.822 8.544 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 16.590 9.112 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.272 9.003 4.791 1.00 0.00 H new ATOM 884 N VAL A 423 11.123 8.358 -0.728 1.00 0.00 N ATOM 885 CA VAL A 423 10.389 8.006 -1.938 1.00 0.00 C ATOM 886 C VAL A 423 10.882 8.814 -3.134 1.00 0.00 C ATOM 887 O VAL A 423 11.113 8.268 -4.213 1.00 0.00 O ATOM 888 CB VAL A 423 8.876 8.238 -1.765 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.135 7.911 -3.052 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.340 7.410 -0.606 1.00 0.00 C ATOM 0 H VAL A 423 10.533 8.617 0.063 1.00 0.00 H new ATOM 0 HA VAL A 423 10.568 6.946 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 423 8.711 9.291 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.068 8.081 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.501 8.551 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.305 6.867 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.270 7.586 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.516 6.352 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.850 7.698 0.313 1.00 0.00 H new ATOM 900 N LYS A 424 11.041 10.118 -2.935 1.00 0.00 N ATOM 901 CA LYS A 424 11.509 11.002 -3.996 1.00 0.00 C ATOM 902 C LYS A 424 12.830 10.507 -4.575 1.00 0.00 C ATOM 903 O LYS A 424 12.969 10.359 -5.789 1.00 0.00 O ATOM 904 CB LYS A 424 11.676 12.427 -3.463 1.00 0.00 C ATOM 905 CG LYS A 424 12.246 13.396 -4.485 1.00 0.00 C ATOM 906 CD LYS A 424 12.295 14.814 -3.942 1.00 0.00 C ATOM 907 CE LYS A 424 13.531 15.042 -3.087 1.00 0.00 C ATOM 908 NZ LYS A 424 14.701 15.468 -3.904 1.00 0.00 N ATOM 0 H LYS A 424 10.853 10.586 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 424 10.762 11.002 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.707 12.796 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.330 12.406 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 424 13.250 13.079 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.637 13.372 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 424 12.289 15.522 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 424 11.401 15.009 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 424 13.317 15.802 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 424 13.777 14.125 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 15.523 15.613 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 14.922 14.732 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 14.477 16.357 -4.395 1.00 0.00 H new ATOM 922 N GLU A 425 13.796 10.251 -3.698 1.00 0.00 N ATOM 923 CA GLU A 425 15.106 9.771 -4.124 1.00 0.00 C ATOM 924 C GLU A 425 14.990 8.414 -4.813 1.00 0.00 C ATOM 925 O GLU A 425 15.465 8.232 -5.934 1.00 0.00 O ATOM 926 CB GLU A 425 16.051 9.668 -2.926 1.00 0.00 C ATOM 927 CG GLU A 425 17.521 9.709 -3.305 1.00 0.00 C ATOM 928 CD GLU A 425 18.008 11.113 -3.605 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.662 12.037 -2.839 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.733 11.289 -4.606 1.00 0.00 O ATOM 0 H GLU A 425 13.696 10.368 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 425 15.513 10.488 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.840 10.485 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.848 8.739 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 425 18.114 9.289 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.685 9.077 -4.178 1.00 0.00 H new ATOM 937 N PHE A 426 14.357 7.464 -4.133 1.00 0.00 N ATOM 938 CA PHE A 426 14.180 6.123 -4.677 1.00 0.00 C ATOM 939 C PHE A 426 13.688 6.182 -6.121 1.00 0.00 C ATOM 940 O PHE A 426 14.294 5.597 -7.017 1.00 0.00 O ATOM 941 CB PHE A 426 13.191 5.328 -3.822 1.00 0.00 C ATOM 942 CG PHE A 426 12.776 4.024 -4.440 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.694 3.001 -4.613 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.468 3.821 -4.849 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.316 1.799 -5.182 1.00 0.00 C ATOM 946 CE2 PHE A 426 11.083 2.622 -5.418 1.00 0.00 C ATOM 947 CZ PHE A 426 12.009 1.610 -5.585 1.00 0.00 C ATOM 0 H PHE A 426 13.958 7.598 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 426 15.148 5.622 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.640 5.132 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.304 5.936 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.718 3.144 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.741 4.609 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 426 14.042 1.009 -5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 426 10.060 2.476 -5.732 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.711 0.672 -6.030 1.00 0.00 H new ATOM 957 N GLU A 427 12.586 6.893 -6.335 1.00 0.00 N ATOM 958 CA GLU A 427 12.012 7.027 -7.669 1.00 0.00 C ATOM 959 C GLU A 427 12.964 7.774 -8.598 1.00 0.00 C ATOM 960 O GLU A 427 13.265 7.312 -9.698 1.00 0.00 O ATOM 961 CB GLU A 427 10.670 7.759 -7.599 1.00 0.00 C ATOM 962 CG GLU A 427 9.578 6.964 -6.904 1.00 0.00 C ATOM 963 CD GLU A 427 8.188 7.476 -7.227 1.00 0.00 C ATOM 964 OE1 GLU A 427 7.937 7.806 -8.405 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.351 7.546 -6.303 1.00 0.00 O ATOM 0 H GLU A 427 12.073 7.385 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 427 11.851 6.026 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.809 8.705 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.344 8.000 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.653 5.917 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.735 7.004 -5.826 1.00 0.00 H new ATOM 972 N SER A 428 13.434 8.933 -8.147 1.00 0.00 N ATOM 973 CA SER A 428 14.348 9.747 -8.939 1.00 0.00 C ATOM 974 C SER A 428 15.451 8.888 -9.549 1.00 0.00 C ATOM 975 O SER A 428 15.737 8.981 -10.744 1.00 0.00 O ATOM 976 CB SER A 428 14.964 10.848 -8.073 1.00 0.00 C ATOM 977 OG SER A 428 15.440 11.918 -8.871 1.00 0.00 O ATOM 0 H SER A 428 13.197 9.329 -7.237 1.00 0.00 H new ATOM 0 HA SER A 428 13.779 10.206 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.220 11.219 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.784 10.436 -7.485 1.00 0.00 H new ATOM 0 HG SER A 428 15.827 12.609 -8.294 1.00 0.00 H new ATOM 983 N LEU A 429 16.067 8.052 -8.721 1.00 0.00 N ATOM 984 CA LEU A 429 17.140 7.175 -9.178 1.00 0.00 C ATOM 985 C LEU A 429 16.823 6.600 -10.555 1.00 0.00 C ATOM 986 O LEU A 429 17.625 6.710 -11.483 1.00 0.00 O ATOM 987 CB LEU A 429 17.358 6.039 -8.177 1.00 0.00 C ATOM 988 CG LEU A 429 18.775 5.469 -8.108 1.00 0.00 C ATOM 989 CD1 LEU A 429 18.986 4.720 -6.801 1.00 0.00 C ATOM 990 CD2 LEU A 429 19.042 4.557 -9.296 1.00 0.00 C ATOM 0 H LEU A 429 15.842 7.963 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 429 18.053 7.766 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 429 17.083 6.398 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 429 16.673 5.228 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 429 19.481 6.298 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 429 20.000 4.321 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 429 18.838 5.401 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 429 18.271 3.900 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 429 20.055 4.161 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 429 18.329 3.733 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 429 18.934 5.123 -10.221 1.00 0.00 H new ATOM 1002 N GLN A 430 15.650 5.989 -10.680 1.00 0.00 N ATOM 1003 CA GLN A 430 15.228 5.398 -11.945 1.00 0.00 C ATOM 1004 C GLN A 430 14.583 6.445 -12.847 1.00 0.00 C ATOM 1005 O GLN A 430 13.361 6.590 -12.873 1.00 0.00 O ATOM 1006 CB GLN A 430 14.247 4.251 -11.694 1.00 0.00 C ATOM 1007 CG GLN A 430 13.146 4.597 -10.704 1.00 0.00 C ATOM 1008 CD GLN A 430 12.051 3.550 -10.659 1.00 0.00 C ATOM 1009 OE1 GLN A 430 11.744 3.002 -9.600 1.00 0.00 O ATOM 1010 NE2 GLN A 430 11.455 3.267 -11.811 1.00 0.00 N ATOM 0 H GLN A 430 14.975 5.890 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 430 16.113 5.007 -12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.794 3.958 -12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.799 3.387 -11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.579 4.708 -9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.712 5.560 -10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 430 11.742 3.746 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 430 10.710 2.571 -11.842 1.00 0.00 H new ATOM 1019 N VAL A 431 15.414 7.175 -13.585 1.00 0.00 N ATOM 1020 CA VAL A 431 14.925 8.210 -14.489 1.00 0.00 C ATOM 1021 C VAL A 431 13.669 7.751 -15.220 1.00 0.00 C ATOM 1022 O VAL A 431 12.563 8.196 -14.914 1.00 0.00 O ATOM 1023 CB VAL A 431 15.996 8.601 -15.525 1.00 0.00 C ATOM 1024 CG1 VAL A 431 15.449 9.640 -16.491 1.00 0.00 C ATOM 1025 CG2 VAL A 431 17.248 9.114 -14.829 1.00 0.00 C ATOM 0 H VAL A 431 16.428 7.069 -13.575 1.00 0.00 H new ATOM 0 HA VAL A 431 14.688 9.080 -13.877 1.00 0.00 H new ATOM 0 HB VAL A 431 16.265 7.713 -16.098 1.00 0.00 H new ATOM 0 HG11 VAL A 431 16.219 9.904 -17.216 1.00 0.00 H new ATOM 0 HG12 VAL A 431 14.584 9.231 -17.014 1.00 0.00 H new ATOM 0 HG13 VAL A 431 15.151 10.530 -15.937 1.00 0.00 H new ATOM 0 HG21 VAL A 431 17.994 9.386 -15.576 1.00 0.00 H new ATOM 0 HG22 VAL A 431 16.998 9.990 -14.230 1.00 0.00 H new ATOM 0 HG23 VAL A 431 17.650 8.334 -14.182 1.00 0.00 H new TER 1035 VAL A 431