USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 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 386 THR OG1 : rot 180:sc= -0.0164 USER MOD Set 1.2: A 397 HIS : no HD1:sc= -2.68! X(o=-2.7!,f=-2.4) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot -63:sc= 0.153 USER MOD Single : A 368 SER OG : rot -114:sc= 0.0661 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN :FLIP amide:sc= -0.165 F(o=-1.5,f=-0.16) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-4.7!) USER MOD Single : A 387 LYS NZ :NH3+ -169:sc=-0.00205 (180deg=-0.0956) USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 TYR OH : rot 180:sc= -0.193 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 180:sc= 0.015 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 65:sc= 0.805 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 422 LYS NZ :NH3+ -125:sc= 0.0707 (180deg=-0.128) 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= -5.37! C(o=-5.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 22.427 0.821 32.059 1.00 0.00 N ATOM 2 CA GLY A 364 22.764 0.856 30.648 1.00 0.00 C ATOM 3 C GLY A 364 22.548 2.225 30.034 1.00 0.00 C ATOM 4 O GLY A 364 23.495 2.861 29.572 1.00 0.00 O ATOM 0 HA2 GLY A 364 23.806 0.564 30.519 1.00 0.00 H new ATOM 0 HA3 GLY A 364 22.159 0.123 30.115 1.00 0.00 H new ATOM 8 N SER A 365 21.299 2.678 30.026 1.00 0.00 N ATOM 9 CA SER A 365 20.961 3.978 29.459 1.00 0.00 C ATOM 10 C SER A 365 21.122 5.083 30.499 1.00 0.00 C ATOM 11 O SER A 365 21.588 6.180 30.189 1.00 0.00 O ATOM 12 CB SER A 365 19.527 3.969 28.926 1.00 0.00 C ATOM 13 OG SER A 365 19.131 5.263 28.505 1.00 0.00 O ATOM 0 H SER A 365 20.504 2.164 30.406 1.00 0.00 H new ATOM 0 HA SER A 365 21.646 4.176 28.635 1.00 0.00 H new ATOM 0 HB2 SER A 365 19.450 3.272 28.091 1.00 0.00 H new ATOM 0 HB3 SER A 365 18.850 3.612 29.702 1.00 0.00 H new ATOM 0 HG SER A 365 18.212 5.230 28.167 1.00 0.00 H new ATOM 19 N SER A 366 20.732 4.785 31.735 1.00 0.00 N ATOM 20 CA SER A 366 20.829 5.753 32.821 1.00 0.00 C ATOM 21 C SER A 366 20.351 7.129 32.366 1.00 0.00 C ATOM 22 O SER A 366 21.021 8.137 32.590 1.00 0.00 O ATOM 23 CB SER A 366 22.270 5.843 33.326 1.00 0.00 C ATOM 24 OG SER A 366 22.340 6.560 34.546 1.00 0.00 O ATOM 0 H SER A 366 20.346 3.881 32.009 1.00 0.00 H new ATOM 0 HA SER A 366 20.187 5.415 33.634 1.00 0.00 H new ATOM 0 HB2 SER A 366 22.672 4.840 33.467 1.00 0.00 H new ATOM 0 HB3 SER A 366 22.891 6.333 32.576 1.00 0.00 H new ATOM 0 HG SER A 366 22.050 7.485 34.399 1.00 0.00 H new ATOM 30 N GLY A 367 19.186 7.162 31.726 1.00 0.00 N ATOM 31 CA GLY A 367 18.637 8.418 31.250 1.00 0.00 C ATOM 32 C GLY A 367 17.122 8.412 31.213 1.00 0.00 C ATOM 33 O GLY A 367 16.469 8.820 32.173 1.00 0.00 O ATOM 0 H GLY A 367 18.613 6.342 31.529 1.00 0.00 H new ATOM 0 HA2 GLY A 367 18.978 9.228 31.895 1.00 0.00 H new ATOM 0 HA3 GLY A 367 19.021 8.623 30.251 1.00 0.00 H new ATOM 37 N SER A 368 16.560 7.949 30.100 1.00 0.00 N ATOM 38 CA SER A 368 15.112 7.897 29.940 1.00 0.00 C ATOM 39 C SER A 368 14.650 6.474 29.639 1.00 0.00 C ATOM 40 O SER A 368 15.411 5.660 29.116 1.00 0.00 O ATOM 41 CB SER A 368 14.667 8.837 28.818 1.00 0.00 C ATOM 42 OG SER A 368 13.268 9.057 28.861 1.00 0.00 O ATOM 0 H SER A 368 17.086 7.605 29.297 1.00 0.00 H new ATOM 0 HA SER A 368 14.656 8.219 30.876 1.00 0.00 H new ATOM 0 HB2 SER A 368 15.191 9.789 28.908 1.00 0.00 H new ATOM 0 HB3 SER A 368 14.942 8.412 27.853 1.00 0.00 H new ATOM 0 HG SER A 368 12.851 8.665 28.066 1.00 0.00 H new ATOM 48 N SER A 369 13.397 6.183 29.973 1.00 0.00 N ATOM 49 CA SER A 369 12.833 4.858 29.743 1.00 0.00 C ATOM 50 C SER A 369 12.228 4.760 28.346 1.00 0.00 C ATOM 51 O SER A 369 12.447 3.784 27.629 1.00 0.00 O ATOM 52 CB SER A 369 11.768 4.544 30.795 1.00 0.00 C ATOM 53 OG SER A 369 11.377 3.183 30.735 1.00 0.00 O ATOM 0 H SER A 369 12.753 6.847 30.404 1.00 0.00 H new ATOM 0 HA SER A 369 13.639 4.129 29.823 1.00 0.00 H new ATOM 0 HB2 SER A 369 12.156 4.771 31.788 1.00 0.00 H new ATOM 0 HB3 SER A 369 10.899 5.183 30.639 1.00 0.00 H new ATOM 0 HG SER A 369 10.697 3.008 31.418 1.00 0.00 H new ATOM 59 N GLY A 370 11.465 5.780 27.965 1.00 0.00 N ATOM 60 CA GLY A 370 10.840 5.791 26.656 1.00 0.00 C ATOM 61 C GLY A 370 10.861 7.164 26.014 1.00 0.00 C ATOM 62 O GLY A 370 11.153 8.160 26.674 1.00 0.00 O ATOM 0 H GLY A 370 11.269 6.599 28.540 1.00 0.00 H new ATOM 0 HA2 GLY A 370 11.353 5.082 26.006 1.00 0.00 H new ATOM 0 HA3 GLY A 370 9.808 5.452 26.747 1.00 0.00 H new ATOM 66 N ASN A 371 10.551 7.216 24.723 1.00 0.00 N ATOM 67 CA ASN A 371 10.538 8.478 23.991 1.00 0.00 C ATOM 68 C ASN A 371 9.722 8.354 22.708 1.00 0.00 C ATOM 69 O ASN A 371 9.719 7.318 22.042 1.00 0.00 O ATOM 70 CB ASN A 371 11.967 8.914 23.659 1.00 0.00 C ATOM 71 CG ASN A 371 12.733 7.853 22.894 1.00 0.00 C ATOM 72 OD1 ASN A 371 12.541 7.817 21.580 1.00 0.00 O flip ATOM 73 ND2 ASN A 371 13.488 7.075 23.476 1.00 0.00 N flip ATOM 0 H ASN A 371 10.306 6.400 24.162 1.00 0.00 H new ATOM 0 HA ASN A 371 10.073 9.232 24.625 1.00 0.00 H new ATOM 0 HB2 ASN A 371 11.936 9.831 23.071 1.00 0.00 H new ATOM 0 HB3 ASN A 371 12.497 9.145 24.583 1.00 0.00 H new ATOM 0 HD21 ASN A 371 13.605 7.139 24.487 1.00 0.00 H new ATOM 0 HD22 ASN A 371 13.997 6.366 22.947 1.00 0.00 H new ATOM 80 N PRO A 372 9.013 9.435 22.351 1.00 0.00 N ATOM 81 CA PRO A 372 8.181 9.473 21.145 1.00 0.00 C ATOM 82 C PRO A 372 9.012 9.475 19.866 1.00 0.00 C ATOM 83 O PRO A 372 9.278 10.529 19.289 1.00 0.00 O ATOM 84 CB PRO A 372 7.413 10.790 21.285 1.00 0.00 C ATOM 85 CG PRO A 372 8.278 11.643 22.148 1.00 0.00 C ATOM 86 CD PRO A 372 8.970 10.704 23.097 1.00 0.00 C ATOM 0 HA PRO A 372 7.539 8.595 21.065 1.00 0.00 H new ATOM 0 HB2 PRO A 372 7.243 11.254 20.314 1.00 0.00 H new ATOM 0 HB3 PRO A 372 6.435 10.632 21.739 1.00 0.00 H new ATOM 0 HG2 PRO A 372 9.002 12.196 21.550 1.00 0.00 H new ATOM 0 HG3 PRO A 372 7.684 12.378 22.690 1.00 0.00 H new ATOM 0 HD2 PRO A 372 9.970 11.055 23.351 1.00 0.00 H new ATOM 0 HD3 PRO A 372 8.421 10.602 24.033 1.00 0.00 H new ATOM 94 N ASP A 373 9.419 8.288 19.429 1.00 0.00 N ATOM 95 CA ASP A 373 10.219 8.153 18.217 1.00 0.00 C ATOM 96 C ASP A 373 10.441 6.683 17.875 1.00 0.00 C ATOM 97 O ASP A 373 10.796 5.881 18.738 1.00 0.00 O ATOM 98 CB ASP A 373 11.564 8.859 18.388 1.00 0.00 C ATOM 99 CG ASP A 373 12.492 8.630 17.210 1.00 0.00 C ATOM 100 OD1 ASP A 373 11.985 8.441 16.084 1.00 0.00 O ATOM 101 OD2 ASP A 373 13.723 8.642 17.415 1.00 0.00 O ATOM 0 H ASP A 373 9.208 7.406 19.896 1.00 0.00 H new ATOM 0 HA ASP A 373 9.675 8.620 17.396 1.00 0.00 H new ATOM 0 HB2 ASP A 373 11.396 9.929 18.512 1.00 0.00 H new ATOM 0 HB3 ASP A 373 12.044 8.504 19.300 1.00 0.00 H new ATOM 106 N TYR A 374 10.230 6.338 16.610 1.00 0.00 N ATOM 107 CA TYR A 374 10.404 4.964 16.153 1.00 0.00 C ATOM 108 C TYR A 374 11.774 4.773 15.511 1.00 0.00 C ATOM 109 O TYR A 374 12.502 5.737 15.275 1.00 0.00 O ATOM 110 CB TYR A 374 9.304 4.592 15.156 1.00 0.00 C ATOM 111 CG TYR A 374 9.130 3.102 14.975 1.00 0.00 C ATOM 112 CD1 TYR A 374 8.991 2.260 16.071 1.00 0.00 C ATOM 113 CD2 TYR A 374 9.105 2.535 13.706 1.00 0.00 C ATOM 114 CE1 TYR A 374 8.832 0.897 15.910 1.00 0.00 C ATOM 115 CE2 TYR A 374 8.945 1.173 13.535 1.00 0.00 C ATOM 116 CZ TYR A 374 8.810 0.359 14.640 1.00 0.00 C ATOM 117 OH TYR A 374 8.651 -0.998 14.475 1.00 0.00 O ATOM 0 H TYR A 374 9.938 6.991 15.882 1.00 0.00 H new ATOM 0 HA TYR A 374 10.335 4.308 17.021 1.00 0.00 H new ATOM 0 HB2 TYR A 374 8.360 5.021 15.492 1.00 0.00 H new ATOM 0 HB3 TYR A 374 9.533 5.043 14.190 1.00 0.00 H new ATOM 0 HD1 TYR A 374 9.008 2.678 17.067 1.00 0.00 H new ATOM 0 HD2 TYR A 374 9.212 3.170 12.839 1.00 0.00 H new ATOM 0 HE1 TYR A 374 8.726 0.257 16.773 1.00 0.00 H new ATOM 0 HE2 TYR A 374 8.926 0.749 12.542 1.00 0.00 H new ATOM 0 HH TYR A 374 8.656 -1.214 13.519 1.00 0.00 H new ATOM 127 N VAL A 375 12.119 3.520 15.229 1.00 0.00 N ATOM 128 CA VAL A 375 13.401 3.200 14.612 1.00 0.00 C ATOM 129 C VAL A 375 13.593 3.974 13.313 1.00 0.00 C ATOM 130 O VAL A 375 12.634 4.485 12.736 1.00 0.00 O ATOM 131 CB VAL A 375 13.523 1.693 14.323 1.00 0.00 C ATOM 132 CG1 VAL A 375 13.978 0.945 15.567 1.00 0.00 C ATOM 133 CG2 VAL A 375 12.202 1.139 13.811 1.00 0.00 C ATOM 0 H VAL A 375 11.528 2.710 15.418 1.00 0.00 H new ATOM 0 HA VAL A 375 14.176 3.490 15.322 1.00 0.00 H new ATOM 0 HB VAL A 375 14.275 1.550 13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 375 14.058 -0.119 15.343 1.00 0.00 H new ATOM 0 HG12 VAL A 375 14.950 1.323 15.884 1.00 0.00 H new ATOM 0 HG13 VAL A 375 13.252 1.093 16.367 1.00 0.00 H new ATOM 0 HG21 VAL A 375 12.307 0.072 13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 375 11.427 1.293 14.562 1.00 0.00 H new ATOM 0 HG23 VAL A 375 11.924 1.654 12.891 1.00 0.00 H new ATOM 143 N GLU A 376 14.840 4.054 12.858 1.00 0.00 N ATOM 144 CA GLU A 376 15.158 4.766 11.625 1.00 0.00 C ATOM 145 C GLU A 376 15.176 3.812 10.435 1.00 0.00 C ATOM 146 O GLU A 376 15.464 2.624 10.582 1.00 0.00 O ATOM 147 CB GLU A 376 16.511 5.469 11.751 1.00 0.00 C ATOM 148 CG GLU A 376 17.686 4.512 11.862 1.00 0.00 C ATOM 149 CD GLU A 376 18.996 5.226 12.134 1.00 0.00 C ATOM 150 OE1 GLU A 376 19.011 6.131 12.994 1.00 0.00 O ATOM 151 OE2 GLU A 376 20.006 4.880 11.486 1.00 0.00 O ATOM 0 H GLU A 376 15.645 3.635 13.324 1.00 0.00 H new ATOM 0 HA GLU A 376 14.383 5.514 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 376 16.658 6.113 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.495 6.115 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 376 17.493 3.797 12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 376 17.773 3.941 10.938 1.00 0.00 H new ATOM 158 N VAL A 377 14.868 4.340 9.255 1.00 0.00 N ATOM 159 CA VAL A 377 14.849 3.537 8.038 1.00 0.00 C ATOM 160 C VAL A 377 16.138 3.714 7.243 1.00 0.00 C ATOM 161 O VAL A 377 16.643 4.827 7.100 1.00 0.00 O ATOM 162 CB VAL A 377 13.651 3.903 7.142 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.830 3.322 5.748 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.351 3.420 7.767 1.00 0.00 C ATOM 0 H VAL A 377 14.628 5.322 9.116 1.00 0.00 H new ATOM 0 HA VAL A 377 14.756 2.496 8.347 1.00 0.00 H new ATOM 0 HB VAL A 377 13.604 4.988 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.974 3.591 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.740 3.722 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.904 2.236 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.515 3.687 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.385 2.337 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.220 3.889 8.742 1.00 0.00 H new ATOM 174 N ASP A 378 16.664 2.609 6.728 1.00 0.00 N ATOM 175 CA ASP A 378 17.894 2.641 5.945 1.00 0.00 C ATOM 176 C ASP A 378 17.623 3.135 4.527 1.00 0.00 C ATOM 177 O ASP A 378 18.193 4.134 4.087 1.00 0.00 O ATOM 178 CB ASP A 378 18.533 1.252 5.901 1.00 0.00 C ATOM 179 CG ASP A 378 19.856 1.247 5.160 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.899 1.478 5.808 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.849 1.012 3.934 1.00 0.00 O ATOM 0 H ASP A 378 16.258 1.680 6.838 1.00 0.00 H new ATOM 0 HA ASP A 378 18.584 3.334 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.689 0.894 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.847 0.555 5.419 1.00 0.00 H new ATOM 186 N ARG A 379 16.751 2.428 3.816 1.00 0.00 N ATOM 187 CA ARG A 379 16.406 2.792 2.448 1.00 0.00 C ATOM 188 C ARG A 379 15.241 1.950 1.937 1.00 0.00 C ATOM 189 O ARG A 379 14.683 1.134 2.672 1.00 0.00 O ATOM 190 CB ARG A 379 17.617 2.616 1.530 1.00 0.00 C ATOM 191 CG ARG A 379 17.739 1.219 0.943 1.00 0.00 C ATOM 192 CD ARG A 379 18.936 1.109 0.011 1.00 0.00 C ATOM 193 NE ARG A 379 18.608 1.521 -1.351 1.00 0.00 N ATOM 194 CZ ARG A 379 18.029 0.724 -2.241 1.00 0.00 C ATOM 195 NH1 ARG A 379 17.714 -0.522 -1.914 1.00 0.00 N ATOM 196 NH2 ARG A 379 17.763 1.172 -3.461 1.00 0.00 N ATOM 0 H ARG A 379 16.270 1.599 4.165 1.00 0.00 H new ATOM 0 HA ARG A 379 16.104 3.839 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.553 3.338 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.523 2.846 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 379 17.836 0.492 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.828 0.971 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.749 1.727 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.295 0.080 0.002 1.00 0.00 H new ATOM 0 HE ARG A 379 18.836 2.474 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 379 17.916 -0.870 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 379 17.269 -1.132 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 379 18.003 2.130 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 379 17.318 0.559 -4.144 1.00 0.00 H new ATOM 210 N ILE A 380 14.879 2.153 0.675 1.00 0.00 N ATOM 211 CA ILE A 380 13.781 1.411 0.067 1.00 0.00 C ATOM 212 C ILE A 380 14.285 0.494 -1.042 1.00 0.00 C ATOM 213 O ILE A 380 15.222 0.833 -1.765 1.00 0.00 O ATOM 214 CB ILE A 380 12.713 2.359 -0.511 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.114 3.225 0.599 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.625 1.564 -1.216 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.316 4.402 0.083 1.00 0.00 C ATOM 0 H ILE A 380 15.330 2.825 0.054 1.00 0.00 H new ATOM 0 HA ILE A 380 13.331 0.809 0.857 1.00 0.00 H new ATOM 0 HB ILE A 380 13.187 3.015 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.470 2.606 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.919 3.593 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.878 2.248 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.065 0.987 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.151 0.887 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.921 4.971 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.961 5.043 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.490 4.041 -0.530 1.00 0.00 H new ATOM 229 N LEU A 381 13.655 -0.668 -1.172 1.00 0.00 N ATOM 230 CA LEU A 381 14.038 -1.635 -2.196 1.00 0.00 C ATOM 231 C LEU A 381 13.200 -1.453 -3.457 1.00 0.00 C ATOM 232 O LEU A 381 13.693 -0.970 -4.476 1.00 0.00 O ATOM 233 CB LEU A 381 13.876 -3.060 -1.664 1.00 0.00 C ATOM 234 CG LEU A 381 14.827 -3.468 -0.538 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.671 -4.947 -0.217 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.267 -3.151 -0.914 1.00 0.00 C ATOM 0 H LEU A 381 12.877 -0.964 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 381 15.084 -1.464 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.852 -3.180 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 381 14.009 -3.754 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 381 14.571 -2.895 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.356 -5.219 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.646 -5.145 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.899 -5.538 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.929 -3.448 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.535 -3.697 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.369 -2.081 -1.092 1.00 0.00 H new ATOM 248 N GLU A 382 11.931 -1.840 -3.380 1.00 0.00 N ATOM 249 CA GLU A 382 11.025 -1.718 -4.516 1.00 0.00 C ATOM 250 C GLU A 382 9.652 -1.226 -4.067 1.00 0.00 C ATOM 251 O GLU A 382 9.373 -1.135 -2.871 1.00 0.00 O ATOM 252 CB GLU A 382 10.887 -3.062 -5.234 1.00 0.00 C ATOM 253 CG GLU A 382 10.604 -2.931 -6.722 1.00 0.00 C ATOM 254 CD GLU A 382 11.487 -1.898 -7.395 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.697 -1.860 -7.085 1.00 0.00 O ATOM 256 OE2 GLU A 382 10.970 -1.129 -8.231 1.00 0.00 O ATOM 0 H GLU A 382 11.507 -2.241 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 382 11.446 -0.987 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.805 -3.634 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.083 -3.632 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.752 -3.898 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 382 9.558 -2.659 -6.867 1.00 0.00 H new ATOM 263 N VAL A 383 8.797 -0.909 -5.035 1.00 0.00 N ATOM 264 CA VAL A 383 7.453 -0.427 -4.740 1.00 0.00 C ATOM 265 C VAL A 383 6.400 -1.261 -5.460 1.00 0.00 C ATOM 266 O VAL A 383 6.492 -1.489 -6.666 1.00 0.00 O ATOM 267 CB VAL A 383 7.286 1.051 -5.143 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.461 1.218 -6.644 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.931 1.575 -4.693 1.00 0.00 C ATOM 0 H VAL A 383 9.012 -0.977 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 383 7.312 -0.520 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 383 8.059 1.636 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.340 2.268 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.457 0.883 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.712 0.623 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.830 2.620 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.140 0.989 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.851 1.492 -3.609 1.00 0.00 H new ATOM 279 N ALA A 384 5.399 -1.713 -4.713 1.00 0.00 N ATOM 280 CA ALA A 384 4.326 -2.520 -5.281 1.00 0.00 C ATOM 281 C ALA A 384 2.982 -1.811 -5.159 1.00 0.00 C ATOM 282 O ALA A 384 2.678 -1.208 -4.129 1.00 0.00 O ATOM 283 CB ALA A 384 4.271 -3.880 -4.599 1.00 0.00 C ATOM 0 H ALA A 384 5.308 -1.534 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 384 4.536 -2.665 -6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.465 -4.472 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.220 -4.398 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.089 -3.745 -3.533 1.00 0.00 H new ATOM 289 N HIS A 385 2.180 -1.885 -6.216 1.00 0.00 N ATOM 290 CA HIS A 385 0.867 -1.249 -6.227 1.00 0.00 C ATOM 291 C HIS A 385 -0.242 -2.295 -6.280 1.00 0.00 C ATOM 292 O HIS A 385 -0.144 -3.285 -7.006 1.00 0.00 O ATOM 293 CB HIS A 385 0.747 -0.301 -7.420 1.00 0.00 C ATOM 294 CG HIS A 385 1.510 0.977 -7.249 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.648 1.076 -6.476 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.292 2.213 -7.756 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.096 2.318 -6.515 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.292 3.028 -7.286 1.00 0.00 N ATOM 0 H HIS A 385 2.416 -2.379 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 385 0.759 -0.677 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.103 -0.810 -8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.305 -0.067 -7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.482 2.504 -8.409 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.971 2.690 -6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.397 4.020 -7.498 1.00 0.00 H new ATOM 306 N THR A 386 -1.299 -2.069 -5.505 1.00 0.00 N ATOM 307 CA THR A 386 -2.426 -2.992 -5.462 1.00 0.00 C ATOM 308 C THR A 386 -3.745 -2.242 -5.317 1.00 0.00 C ATOM 309 O THR A 386 -3.764 -1.054 -4.993 1.00 0.00 O ATOM 310 CB THR A 386 -2.288 -3.994 -4.300 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.904 -4.245 -4.033 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.993 -5.302 -4.627 1.00 0.00 C ATOM 0 H THR A 386 -1.397 -1.255 -4.899 1.00 0.00 H new ATOM 0 HA THR A 386 -2.423 -3.538 -6.405 1.00 0.00 H new ATOM 0 HB THR A 386 -2.755 -3.560 -3.416 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.824 -4.882 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.882 -5.994 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 386 -4.052 -5.111 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.551 -5.740 -5.522 1.00 0.00 H new ATOM 320 N LYS A 387 -4.848 -2.943 -5.558 1.00 0.00 N ATOM 321 CA LYS A 387 -6.174 -2.344 -5.452 1.00 0.00 C ATOM 322 C LYS A 387 -7.106 -3.229 -4.631 1.00 0.00 C ATOM 323 O LYS A 387 -7.246 -4.421 -4.904 1.00 0.00 O ATOM 324 CB LYS A 387 -6.765 -2.116 -6.845 1.00 0.00 C ATOM 325 CG LYS A 387 -6.991 -3.398 -7.628 1.00 0.00 C ATOM 326 CD LYS A 387 -7.430 -3.110 -9.054 1.00 0.00 C ATOM 327 CE LYS A 387 -8.897 -2.714 -9.117 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.796 -3.880 -8.901 1.00 0.00 N ATOM 0 H LYS A 387 -4.850 -3.927 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.073 -1.384 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.714 -1.589 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.097 -1.467 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.072 -3.985 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.748 -4.002 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -6.818 -2.309 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.263 -3.992 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.101 -1.954 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.111 -2.266 -10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.774 -3.612 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.497 -4.667 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.746 -4.177 -7.906 1.00 0.00 H new ATOM 342 N ASP A 388 -7.743 -2.637 -3.627 1.00 0.00 N ATOM 343 CA ASP A 388 -8.665 -3.372 -2.767 1.00 0.00 C ATOM 344 C ASP A 388 -9.625 -4.217 -3.598 1.00 0.00 C ATOM 345 O ASP A 388 -9.652 -4.120 -4.824 1.00 0.00 O ATOM 346 CB ASP A 388 -9.452 -2.404 -1.883 1.00 0.00 C ATOM 347 CG ASP A 388 -10.001 -3.073 -0.638 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.414 -4.084 -0.201 1.00 0.00 O ATOM 349 OD2 ASP A 388 -11.018 -2.585 -0.102 1.00 0.00 O ATOM 0 H ASP A 388 -7.638 -1.651 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.080 -4.037 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.806 -1.575 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.276 -1.980 -2.457 1.00 0.00 H new ATOM 354 N ALA A 389 -10.412 -5.047 -2.921 1.00 0.00 N ATOM 355 CA ALA A 389 -11.375 -5.908 -3.596 1.00 0.00 C ATOM 356 C ALA A 389 -12.804 -5.449 -3.329 1.00 0.00 C ATOM 357 O ALA A 389 -13.568 -5.198 -4.260 1.00 0.00 O ATOM 358 CB ALA A 389 -11.191 -7.353 -3.154 1.00 0.00 C ATOM 0 H ALA A 389 -10.401 -5.141 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.195 -5.842 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.917 -7.985 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.183 -7.684 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.342 -7.426 -2.077 1.00 0.00 H new ATOM 364 N GLU A 390 -13.158 -5.343 -2.052 1.00 0.00 N ATOM 365 CA GLU A 390 -14.497 -4.916 -1.664 1.00 0.00 C ATOM 366 C GLU A 390 -14.973 -3.758 -2.537 1.00 0.00 C ATOM 367 O GLU A 390 -16.065 -3.801 -3.105 1.00 0.00 O ATOM 368 CB GLU A 390 -14.518 -4.500 -0.192 1.00 0.00 C ATOM 369 CG GLU A 390 -15.889 -4.609 0.453 1.00 0.00 C ATOM 370 CD GLU A 390 -15.996 -3.809 1.737 1.00 0.00 C ATOM 371 OE1 GLU A 390 -15.256 -2.812 1.877 1.00 0.00 O ATOM 372 OE2 GLU A 390 -16.818 -4.179 2.600 1.00 0.00 O ATOM 0 H GLU A 390 -12.537 -5.547 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.174 -5.758 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.815 -5.122 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.168 -3.471 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -16.646 -4.262 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -16.105 -5.656 0.663 1.00 0.00 H new ATOM 379 N THR A 391 -14.145 -2.723 -2.640 1.00 0.00 N ATOM 380 CA THR A 391 -14.481 -1.553 -3.442 1.00 0.00 C ATOM 381 C THR A 391 -13.567 -1.439 -4.657 1.00 0.00 C ATOM 382 O THR A 391 -14.032 -1.432 -5.797 1.00 0.00 O ATOM 383 CB THR A 391 -14.380 -0.257 -2.615 1.00 0.00 C ATOM 384 OG1 THR A 391 -13.147 -0.236 -1.887 1.00 0.00 O ATOM 385 CG2 THR A 391 -15.548 -0.140 -1.648 1.00 0.00 C ATOM 0 H THR A 391 -13.237 -2.671 -2.178 1.00 0.00 H new ATOM 0 HA THR A 391 -15.511 -1.683 -3.775 1.00 0.00 H new ATOM 0 HB THR A 391 -14.411 0.590 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 391 -13.089 0.591 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 391 -15.455 0.783 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.484 -0.127 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 391 -15.544 -0.992 -0.968 1.00 0.00 H new ATOM 393 N GLY A 392 -12.265 -1.351 -4.407 1.00 0.00 N ATOM 394 CA GLY A 392 -11.307 -1.239 -5.491 1.00 0.00 C ATOM 395 C GLY A 392 -10.540 0.068 -5.455 1.00 0.00 C ATOM 396 O GLY A 392 -10.330 0.700 -6.489 1.00 0.00 O ATOM 0 H GLY A 392 -11.856 -1.355 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.604 -2.071 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.830 -1.324 -6.444 1.00 0.00 H new ATOM 400 N GLU A 393 -10.122 0.474 -4.260 1.00 0.00 N ATOM 401 CA GLU A 393 -9.376 1.716 -4.094 1.00 0.00 C ATOM 402 C GLU A 393 -7.928 1.546 -4.544 1.00 0.00 C ATOM 403 O GLU A 393 -7.524 0.465 -4.972 1.00 0.00 O ATOM 404 CB GLU A 393 -9.418 2.171 -2.634 1.00 0.00 C ATOM 405 CG GLU A 393 -10.823 2.430 -2.117 1.00 0.00 C ATOM 406 CD GLU A 393 -11.411 3.723 -2.647 1.00 0.00 C ATOM 407 OE1 GLU A 393 -11.173 4.042 -3.831 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.109 4.416 -1.877 1.00 0.00 O ATOM 0 H GLU A 393 -10.287 -0.038 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.845 2.477 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -8.945 1.411 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.828 3.081 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.469 1.599 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -10.805 2.463 -1.028 1.00 0.00 H new ATOM 415 N GLU A 394 -7.153 2.621 -4.444 1.00 0.00 N ATOM 416 CA GLU A 394 -5.750 2.591 -4.841 1.00 0.00 C ATOM 417 C GLU A 394 -4.840 2.503 -3.620 1.00 0.00 C ATOM 418 O GLU A 394 -4.508 3.517 -3.005 1.00 0.00 O ATOM 419 CB GLU A 394 -5.403 3.835 -5.662 1.00 0.00 C ATOM 420 CG GLU A 394 -5.439 5.124 -4.858 1.00 0.00 C ATOM 421 CD GLU A 394 -5.709 6.341 -5.721 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.782 6.778 -6.435 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.845 6.857 -5.683 1.00 0.00 O ATOM 0 H GLU A 394 -7.473 3.523 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.591 1.704 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.408 3.712 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.101 3.917 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -6.210 5.048 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.488 5.253 -4.342 1.00 0.00 H new ATOM 430 N VAL A 395 -4.440 1.284 -3.273 1.00 0.00 N ATOM 431 CA VAL A 395 -3.568 1.062 -2.126 1.00 0.00 C ATOM 432 C VAL A 395 -2.129 0.821 -2.567 1.00 0.00 C ATOM 433 O VAL A 395 -1.796 -0.248 -3.079 1.00 0.00 O ATOM 434 CB VAL A 395 -4.043 -0.136 -1.283 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.136 -0.335 -0.078 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.487 0.058 -0.847 1.00 0.00 C ATOM 0 H VAL A 395 -4.706 0.434 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.611 1.965 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.991 -1.034 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.488 -1.186 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.117 -0.523 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.152 0.561 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.806 -0.798 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.568 0.966 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.124 0.146 -1.727 1.00 0.00 H new ATOM 446 N THR A 396 -1.278 1.822 -2.366 1.00 0.00 N ATOM 447 CA THR A 396 0.126 1.719 -2.744 1.00 0.00 C ATOM 448 C THR A 396 0.951 1.091 -1.627 1.00 0.00 C ATOM 449 O THR A 396 0.695 1.324 -0.445 1.00 0.00 O ATOM 450 CB THR A 396 0.717 3.099 -3.090 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.041 3.707 -4.142 1.00 0.00 O ATOM 452 CG2 THR A 396 2.172 2.973 -3.514 1.00 0.00 C ATOM 0 H THR A 396 -1.537 2.714 -1.943 1.00 0.00 H new ATOM 0 HA THR A 396 0.170 1.081 -3.627 1.00 0.00 H new ATOM 0 HB THR A 396 0.667 3.725 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.340 4.584 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.568 3.960 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.752 2.537 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.241 2.332 -4.393 1.00 0.00 H new ATOM 460 N HIS A 397 1.945 0.294 -2.007 1.00 0.00 N ATOM 461 CA HIS A 397 2.810 -0.367 -1.037 1.00 0.00 C ATOM 462 C HIS A 397 4.278 -0.077 -1.331 1.00 0.00 C ATOM 463 O HIS A 397 4.704 -0.089 -2.486 1.00 0.00 O ATOM 464 CB HIS A 397 2.564 -1.876 -1.048 1.00 0.00 C ATOM 465 CG HIS A 397 1.344 -2.290 -0.283 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.171 -2.681 -0.892 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.121 -2.373 1.050 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.722 -2.986 0.033 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.170 -2.808 1.219 1.00 0.00 N ATOM 0 H HIS A 397 2.171 0.090 -2.981 1.00 0.00 H new ATOM 0 HA HIS A 397 2.572 0.025 -0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.467 -2.212 -2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.434 -2.381 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.827 -2.140 1.834 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.731 -3.323 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.629 -2.968 2.116 1.00 0.00 H new ATOM 477 N TYR A 398 5.047 0.185 -0.280 1.00 0.00 N ATOM 478 CA TYR A 398 6.467 0.482 -0.426 1.00 0.00 C ATOM 479 C TYR A 398 7.309 -0.439 0.451 1.00 0.00 C ATOM 480 O TYR A 398 7.140 -0.480 1.671 1.00 0.00 O ATOM 481 CB TYR A 398 6.744 1.942 -0.065 1.00 0.00 C ATOM 482 CG TYR A 398 6.411 2.914 -1.175 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.285 3.114 -2.235 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.221 3.632 -1.162 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.986 4.002 -3.251 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.912 4.520 -2.174 1.00 0.00 C ATOM 487 CZ TYR A 398 5.798 4.702 -3.216 1.00 0.00 C ATOM 488 OH TYR A 398 5.495 5.586 -4.226 1.00 0.00 O ATOM 0 H TYR A 398 4.711 0.198 0.683 1.00 0.00 H new ATOM 0 HA TYR A 398 6.742 0.314 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.167 2.204 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.797 2.049 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.215 2.566 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.526 3.493 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.678 4.147 -4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.982 5.069 -2.150 1.00 0.00 H new ATOM 0 HH TYR A 398 4.622 5.996 -4.051 1.00 0.00 H new ATOM 498 N LEU A 399 8.218 -1.176 -0.178 1.00 0.00 N ATOM 499 CA LEU A 399 9.088 -2.097 0.544 1.00 0.00 C ATOM 500 C LEU A 399 10.103 -1.337 1.392 1.00 0.00 C ATOM 501 O LEU A 399 11.142 -0.902 0.895 1.00 0.00 O ATOM 502 CB LEU A 399 9.816 -3.018 -0.438 1.00 0.00 C ATOM 503 CG LEU A 399 10.549 -4.210 0.177 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.723 -4.824 1.297 1.00 0.00 C ATOM 505 CD2 LEU A 399 10.863 -5.251 -0.888 1.00 0.00 C ATOM 0 H LEU A 399 8.371 -1.154 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 399 8.467 -2.700 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 399 9.089 -3.396 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.538 -2.422 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 399 11.490 -3.855 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.260 -5.671 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.549 -4.078 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.767 -5.164 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.385 -6.092 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 399 9.935 -5.601 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.495 -4.806 -1.657 1.00 0.00 H new ATOM 517 N VAL A 400 9.794 -1.180 2.675 1.00 0.00 N ATOM 518 CA VAL A 400 10.680 -0.475 3.594 1.00 0.00 C ATOM 519 C VAL A 400 11.882 -1.335 3.968 1.00 0.00 C ATOM 520 O VAL A 400 11.734 -2.409 4.552 1.00 0.00 O ATOM 521 CB VAL A 400 9.941 -0.060 4.879 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.900 0.599 5.859 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.781 0.869 4.550 1.00 0.00 C ATOM 0 H VAL A 400 8.937 -1.531 3.102 1.00 0.00 H new ATOM 0 HA VAL A 400 11.024 0.420 3.076 1.00 0.00 H new ATOM 0 HB VAL A 400 9.538 -0.956 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.359 0.885 6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.693 -0.102 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.336 1.487 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.270 1.152 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.160 1.763 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.081 0.357 3.889 1.00 0.00 H new ATOM 533 N LYS A 401 13.074 -0.856 3.627 1.00 0.00 N ATOM 534 CA LYS A 401 14.304 -1.580 3.928 1.00 0.00 C ATOM 535 C LYS A 401 15.026 -0.954 5.117 1.00 0.00 C ATOM 536 O LYS A 401 15.781 0.006 4.962 1.00 0.00 O ATOM 537 CB LYS A 401 15.225 -1.590 2.706 1.00 0.00 C ATOM 538 CG LYS A 401 16.108 -2.823 2.620 1.00 0.00 C ATOM 539 CD LYS A 401 17.431 -2.614 3.337 1.00 0.00 C ATOM 540 CE LYS A 401 17.341 -3.012 4.802 1.00 0.00 C ATOM 541 NZ LYS A 401 18.647 -3.500 5.326 1.00 0.00 N ATOM 0 H LYS A 401 13.214 0.030 3.142 1.00 0.00 H new ATOM 0 HA LYS A 401 14.040 -2.606 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.618 -1.525 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.857 -0.702 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.587 -3.675 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.295 -3.065 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 401 18.208 -3.200 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.726 -1.567 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 401 17.010 -2.157 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 401 16.588 -3.791 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.544 -3.761 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.951 -4.332 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.360 -2.748 5.236 1.00 0.00 H new ATOM 555 N TRP A 402 14.790 -1.505 6.302 1.00 0.00 N ATOM 556 CA TRP A 402 15.420 -1.001 7.518 1.00 0.00 C ATOM 557 C TRP A 402 16.435 -2.001 8.059 1.00 0.00 C ATOM 558 O TRP A 402 16.390 -3.187 7.729 1.00 0.00 O ATOM 559 CB TRP A 402 14.360 -0.705 8.580 1.00 0.00 C ATOM 560 CG TRP A 402 13.251 -1.712 8.610 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.351 -3.049 8.351 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.874 -1.462 8.914 1.00 0.00 C ATOM 563 NE1 TRP A 402 12.119 -3.646 8.476 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.197 -2.693 8.821 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.149 -0.318 9.257 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.830 -2.810 9.058 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.792 -0.436 9.492 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.144 -1.674 9.393 1.00 0.00 C ATOM 0 H TRP A 402 14.168 -2.300 6.447 1.00 0.00 H new ATOM 0 HA TRP A 402 15.944 -0.078 7.271 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.837 -0.671 9.559 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.939 0.283 8.397 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.264 -3.562 8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.923 -4.637 8.335 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.640 0.641 9.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.329 -3.763 8.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.221 0.442 9.757 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.083 -1.733 9.585 1.00 0.00 H new ATOM 579 N CYS A 403 17.350 -1.517 8.892 1.00 0.00 N ATOM 580 CA CYS A 403 18.377 -2.370 9.480 1.00 0.00 C ATOM 581 C CYS A 403 17.946 -2.874 10.853 1.00 0.00 C ATOM 582 O CYS A 403 17.982 -4.074 11.124 1.00 0.00 O ATOM 583 CB CYS A 403 19.698 -1.607 9.595 1.00 0.00 C ATOM 584 SG CYS A 403 21.058 -2.585 10.275 1.00 0.00 S ATOM 0 H CYS A 403 17.402 -0.539 9.175 1.00 0.00 H new ATOM 0 HA CYS A 403 18.518 -3.230 8.826 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.983 -1.245 8.607 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.545 -0.730 10.224 1.00 0.00 H new ATOM 0 HG CYS A 403 22.132 -1.855 10.331 1.00 0.00 H new ATOM 590 N SER A 404 17.539 -1.949 11.716 1.00 0.00 N ATOM 591 CA SER A 404 17.105 -2.299 13.064 1.00 0.00 C ATOM 592 C SER A 404 16.321 -3.607 13.060 1.00 0.00 C ATOM 593 O SER A 404 16.295 -4.333 14.055 1.00 0.00 O ATOM 594 CB SER A 404 16.248 -1.178 13.654 1.00 0.00 C ATOM 595 OG SER A 404 16.865 0.085 13.474 1.00 0.00 O ATOM 0 H SER A 404 17.501 -0.952 11.506 1.00 0.00 H new ATOM 0 HA SER A 404 17.993 -2.431 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 404 15.267 -1.178 13.179 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.088 -1.360 14.717 1.00 0.00 H new ATOM 0 HG SER A 404 16.296 0.785 13.858 1.00 0.00 H new ATOM 601 N LEU A 405 15.681 -3.902 11.933 1.00 0.00 N ATOM 602 CA LEU A 405 14.894 -5.123 11.797 1.00 0.00 C ATOM 603 C LEU A 405 15.579 -6.110 10.857 1.00 0.00 C ATOM 604 O LEU A 405 16.346 -5.732 9.971 1.00 0.00 O ATOM 605 CB LEU A 405 13.493 -4.795 11.278 1.00 0.00 C ATOM 606 CG LEU A 405 12.542 -4.142 12.281 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.381 -3.476 11.559 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.032 -5.170 13.280 1.00 0.00 C ATOM 0 H LEU A 405 15.692 -3.312 11.101 1.00 0.00 H new ATOM 0 HA LEU A 405 14.811 -5.584 12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.592 -4.133 10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.035 -5.717 10.920 1.00 0.00 H new ATOM 0 HG LEU A 405 13.091 -3.376 12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.714 -3.016 12.289 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.763 -2.710 10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.832 -4.223 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.356 -4.687 13.986 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.499 -5.959 12.750 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.875 -5.601 13.821 1.00 0.00 H new ATOM 620 N PRO A 406 15.296 -7.407 11.052 1.00 0.00 N ATOM 621 CA PRO A 406 15.872 -8.475 10.230 1.00 0.00 C ATOM 622 C PRO A 406 15.327 -8.469 8.806 1.00 0.00 C ATOM 623 O PRO A 406 14.126 -8.301 8.592 1.00 0.00 O ATOM 624 CB PRO A 406 15.447 -9.752 10.960 1.00 0.00 C ATOM 625 CG PRO A 406 14.213 -9.372 11.702 1.00 0.00 C ATOM 626 CD PRO A 406 14.391 -7.930 12.090 1.00 0.00 C ATOM 0 HA PRO A 406 16.951 -8.369 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.253 -10.563 10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.226 -10.098 11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.328 -9.502 11.080 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.078 -10.000 12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.441 -7.396 12.101 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.823 -7.832 13.086 1.00 0.00 H new ATOM 634 N TYR A 407 16.216 -8.654 7.837 1.00 0.00 N ATOM 635 CA TYR A 407 15.823 -8.667 6.432 1.00 0.00 C ATOM 636 C TYR A 407 14.640 -9.603 6.206 1.00 0.00 C ATOM 637 O TYR A 407 13.618 -9.205 5.648 1.00 0.00 O ATOM 638 CB TYR A 407 17.001 -9.096 5.556 1.00 0.00 C ATOM 639 CG TYR A 407 16.661 -9.188 4.086 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.658 -8.055 3.281 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.341 -10.407 3.501 1.00 0.00 C ATOM 642 CE1 TYR A 407 16.346 -8.133 1.938 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.029 -10.495 2.158 1.00 0.00 C ATOM 644 CZ TYR A 407 16.033 -9.356 1.381 1.00 0.00 C ATOM 645 OH TYR A 407 15.723 -9.439 0.043 1.00 0.00 O ATOM 0 H TYR A 407 17.213 -8.797 7.998 1.00 0.00 H new ATOM 0 HA TYR A 407 15.522 -7.657 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.818 -8.386 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.363 -10.066 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.904 -7.096 3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.336 -11.301 4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 407 16.347 -7.242 1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.783 -11.451 1.719 1.00 0.00 H new ATOM 0 HH TYR A 407 15.528 -10.371 -0.190 1.00 0.00 H new ATOM 655 N GLU A 408 14.787 -10.850 6.645 1.00 0.00 N ATOM 656 CA GLU A 408 13.731 -11.843 6.491 1.00 0.00 C ATOM 657 C GLU A 408 12.367 -11.243 6.821 1.00 0.00 C ATOM 658 O GLU A 408 11.336 -11.732 6.362 1.00 0.00 O ATOM 659 CB GLU A 408 14.000 -13.050 7.392 1.00 0.00 C ATOM 660 CG GLU A 408 14.042 -12.708 8.871 1.00 0.00 C ATOM 661 CD GLU A 408 13.799 -13.916 9.756 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.671 -14.808 9.794 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.736 -13.968 10.410 1.00 0.00 O ATOM 0 H GLU A 408 15.627 -11.196 7.110 1.00 0.00 H new ATOM 0 HA GLU A 408 13.724 -12.169 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.226 -13.799 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 408 14.949 -13.502 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 408 15.013 -12.275 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 408 13.291 -11.948 9.086 1.00 0.00 H new ATOM 670 N GLU A 409 12.372 -10.180 7.620 1.00 0.00 N ATOM 671 CA GLU A 409 11.136 -9.514 8.012 1.00 0.00 C ATOM 672 C GLU A 409 10.866 -8.302 7.125 1.00 0.00 C ATOM 673 O GLU A 409 10.257 -7.325 7.560 1.00 0.00 O ATOM 674 CB GLU A 409 11.206 -9.082 9.478 1.00 0.00 C ATOM 675 CG GLU A 409 9.848 -8.783 10.090 1.00 0.00 C ATOM 676 CD GLU A 409 9.183 -10.019 10.666 1.00 0.00 C ATOM 677 OE1 GLU A 409 9.897 -10.856 11.256 1.00 0.00 O ATOM 678 OE2 GLU A 409 7.949 -10.148 10.525 1.00 0.00 O ATOM 0 H GLU A 409 13.218 -9.762 8.008 1.00 0.00 H new ATOM 0 HA GLU A 409 10.317 -10.222 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.691 -9.868 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.834 -8.195 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.964 -8.037 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 409 9.199 -8.346 9.330 1.00 0.00 H new ATOM 685 N SER A 410 11.324 -8.374 5.879 1.00 0.00 N ATOM 686 CA SER A 410 11.136 -7.281 4.932 1.00 0.00 C ATOM 687 C SER A 410 9.654 -7.055 4.651 1.00 0.00 C ATOM 688 O SER A 410 9.021 -7.826 3.928 1.00 0.00 O ATOM 689 CB SER A 410 11.875 -7.578 3.626 1.00 0.00 C ATOM 690 OG SER A 410 13.242 -7.218 3.720 1.00 0.00 O ATOM 0 H SER A 410 11.827 -9.177 5.502 1.00 0.00 H new ATOM 0 HA SER A 410 11.546 -6.374 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.791 -8.639 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 410 11.407 -7.031 2.807 1.00 0.00 H new ATOM 0 HG SER A 410 13.682 -7.779 4.392 1.00 0.00 H new ATOM 696 N THR A 411 9.104 -5.991 5.228 1.00 0.00 N ATOM 697 CA THR A 411 7.696 -5.662 5.041 1.00 0.00 C ATOM 698 C THR A 411 7.529 -4.476 4.098 1.00 0.00 C ATOM 699 O THR A 411 8.485 -3.752 3.820 1.00 0.00 O ATOM 700 CB THR A 411 7.013 -5.337 6.383 1.00 0.00 C ATOM 701 OG1 THR A 411 5.650 -4.959 6.160 1.00 0.00 O ATOM 702 CG2 THR A 411 7.744 -4.215 7.105 1.00 0.00 C ATOM 0 H THR A 411 9.612 -5.342 5.829 1.00 0.00 H new ATOM 0 HA THR A 411 7.221 -6.540 4.603 1.00 0.00 H new ATOM 0 HB THR A 411 7.045 -6.230 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.222 -4.756 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.243 -4.003 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.773 -4.517 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.740 -3.319 6.484 1.00 0.00 H new ATOM 710 N TRP A 412 6.309 -4.283 3.610 1.00 0.00 N ATOM 711 CA TRP A 412 6.017 -3.183 2.698 1.00 0.00 C ATOM 712 C TRP A 412 5.043 -2.195 3.330 1.00 0.00 C ATOM 713 O TRP A 412 3.828 -2.344 3.207 1.00 0.00 O ATOM 714 CB TRP A 412 5.439 -3.720 1.387 1.00 0.00 C ATOM 715 CG TRP A 412 6.222 -4.864 0.817 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.513 -6.046 1.436 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.815 -4.933 -0.484 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.251 -6.846 0.597 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.449 -6.186 -0.587 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.871 -4.059 -1.573 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.130 -6.584 -1.734 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.547 -4.455 -2.711 1.00 0.00 C ATOM 723 CH2 TRP A 412 8.169 -5.708 -2.785 1.00 0.00 C ATOM 0 H TRP A 412 5.507 -4.873 3.830 1.00 0.00 H new ATOM 0 HA TRP A 412 6.950 -2.660 2.489 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.411 -4.041 1.556 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.405 -2.912 0.656 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.208 -6.313 2.437 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.596 -7.780 0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.394 -3.091 -1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.610 -7.549 -1.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.597 -3.787 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.689 -5.988 -3.689 1.00 0.00 H new ATOM 734 N GLU A 413 5.585 -1.187 4.006 1.00 0.00 N ATOM 735 CA GLU A 413 4.761 -0.175 4.658 1.00 0.00 C ATOM 736 C GLU A 413 4.105 0.739 3.627 1.00 0.00 C ATOM 737 O GLU A 413 4.749 1.184 2.676 1.00 0.00 O ATOM 738 CB GLU A 413 5.605 0.654 5.628 1.00 0.00 C ATOM 739 CG GLU A 413 6.200 -0.159 6.765 1.00 0.00 C ATOM 740 CD GLU A 413 5.199 -0.436 7.871 1.00 0.00 C ATOM 741 OE1 GLU A 413 3.997 -0.572 7.561 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.617 -0.515 9.044 1.00 0.00 O ATOM 0 H GLU A 413 6.590 -1.049 4.117 1.00 0.00 H new ATOM 0 HA GLU A 413 3.976 -0.686 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.412 1.134 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.987 1.449 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.574 -1.105 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.055 0.375 7.179 1.00 0.00 H new ATOM 749 N LEU A 414 2.821 1.016 3.823 1.00 0.00 N ATOM 750 CA LEU A 414 2.076 1.878 2.911 1.00 0.00 C ATOM 751 C LEU A 414 2.780 3.219 2.732 1.00 0.00 C ATOM 752 O LEU A 414 3.726 3.535 3.453 1.00 0.00 O ATOM 753 CB LEU A 414 0.656 2.100 3.434 1.00 0.00 C ATOM 754 CG LEU A 414 -0.088 0.850 3.908 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.451 1.222 4.471 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.233 -0.149 2.769 1.00 0.00 C ATOM 0 H LEU A 414 2.274 0.657 4.605 1.00 0.00 H new ATOM 0 HA LEU A 414 2.026 1.383 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.702 2.807 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.069 2.571 2.645 1.00 0.00 H new ATOM 0 HG LEU A 414 0.495 0.383 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.966 0.320 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.323 1.899 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.042 1.713 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -0.765 -1.032 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.793 0.308 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.755 -0.440 2.412 1.00 0.00 H new ATOM 768 N GLU A 415 2.309 4.004 1.769 1.00 0.00 N ATOM 769 CA GLU A 415 2.894 5.313 1.497 1.00 0.00 C ATOM 770 C GLU A 415 2.610 6.283 2.640 1.00 0.00 C ATOM 771 O GLU A 415 3.379 7.212 2.883 1.00 0.00 O ATOM 772 CB GLU A 415 2.345 5.878 0.185 1.00 0.00 C ATOM 773 CG GLU A 415 2.767 7.313 -0.082 1.00 0.00 C ATOM 774 CD GLU A 415 4.273 7.493 -0.058 1.00 0.00 C ATOM 775 OE1 GLU A 415 4.990 6.545 -0.441 1.00 0.00 O ATOM 776 OE2 GLU A 415 4.733 8.582 0.345 1.00 0.00 O ATOM 0 H GLU A 415 1.525 3.758 1.164 1.00 0.00 H new ATOM 0 HA GLU A 415 3.973 5.190 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.680 5.250 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.256 5.825 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.383 7.626 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.315 7.966 0.665 1.00 0.00 H new ATOM 783 N GLU A 416 1.501 6.059 3.337 1.00 0.00 N ATOM 784 CA GLU A 416 1.115 6.915 4.453 1.00 0.00 C ATOM 785 C GLU A 416 2.170 6.880 5.555 1.00 0.00 C ATOM 786 O GLU A 416 2.669 7.921 5.984 1.00 0.00 O ATOM 787 CB GLU A 416 -0.239 6.478 5.015 1.00 0.00 C ATOM 788 CG GLU A 416 -1.401 6.731 4.070 1.00 0.00 C ATOM 789 CD GLU A 416 -2.705 6.982 4.802 1.00 0.00 C ATOM 790 OE1 GLU A 416 -3.343 5.997 5.230 1.00 0.00 O ATOM 791 OE2 GLU A 416 -3.088 8.161 4.947 1.00 0.00 O ATOM 0 H GLU A 416 0.854 5.293 3.149 1.00 0.00 H new ATOM 0 HA GLU A 416 1.034 7.937 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.199 5.415 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.422 7.006 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.171 7.590 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.520 5.873 3.408 1.00 0.00 H new ATOM 798 N ASP A 417 2.505 5.677 6.008 1.00 0.00 N ATOM 799 CA ASP A 417 3.501 5.506 7.059 1.00 0.00 C ATOM 800 C ASP A 417 4.886 5.914 6.567 1.00 0.00 C ATOM 801 O ASP A 417 5.687 6.466 7.322 1.00 0.00 O ATOM 802 CB ASP A 417 3.524 4.053 7.537 1.00 0.00 C ATOM 803 CG ASP A 417 4.149 3.906 8.911 1.00 0.00 C ATOM 804 OD1 ASP A 417 3.860 4.747 9.788 1.00 0.00 O ATOM 805 OD2 ASP A 417 4.925 2.948 9.109 1.00 0.00 O ATOM 0 H ASP A 417 2.101 4.806 5.664 1.00 0.00 H new ATOM 0 HA ASP A 417 3.227 6.151 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.506 3.665 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.079 3.447 6.821 1.00 0.00 H new ATOM 810 N VAL A 418 5.163 5.638 5.296 1.00 0.00 N ATOM 811 CA VAL A 418 6.451 5.977 4.703 1.00 0.00 C ATOM 812 C VAL A 418 6.493 7.441 4.282 1.00 0.00 C ATOM 813 O VAL A 418 5.536 7.961 3.708 1.00 0.00 O ATOM 814 CB VAL A 418 6.755 5.093 3.480 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.018 5.568 2.777 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.883 3.635 3.895 1.00 0.00 C ATOM 0 H VAL A 418 4.512 5.180 4.658 1.00 0.00 H new ATOM 0 HA VAL A 418 7.208 5.800 5.467 1.00 0.00 H new ATOM 0 HB VAL A 418 5.925 5.176 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.216 4.931 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 418 7.884 6.597 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.860 5.517 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.098 3.025 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.694 3.532 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.949 3.302 4.349 1.00 0.00 H new ATOM 826 N ASP A 419 7.610 8.102 4.569 1.00 0.00 N ATOM 827 CA ASP A 419 7.779 9.507 4.218 1.00 0.00 C ATOM 828 C ASP A 419 7.870 9.682 2.705 1.00 0.00 C ATOM 829 O ASP A 419 8.325 8.798 1.980 1.00 0.00 O ATOM 830 CB ASP A 419 9.032 10.074 4.886 1.00 0.00 C ATOM 831 CG ASP A 419 9.209 9.573 6.306 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.660 10.206 7.232 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.896 8.546 6.490 1.00 0.00 O ATOM 0 H ASP A 419 8.412 7.687 5.044 1.00 0.00 H new ATOM 0 HA ASP A 419 6.907 10.053 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.908 9.804 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 419 8.976 11.163 4.892 1.00 0.00 H new ATOM 838 N PRO A 420 7.425 10.850 2.217 1.00 0.00 N ATOM 839 CA PRO A 420 7.445 11.168 0.786 1.00 0.00 C ATOM 840 C PRO A 420 8.861 11.374 0.258 1.00 0.00 C ATOM 841 O PRO A 420 9.171 11.005 -0.874 1.00 0.00 O ATOM 842 CB PRO A 420 6.648 12.472 0.702 1.00 0.00 C ATOM 843 CG PRO A 420 6.791 13.091 2.049 1.00 0.00 C ATOM 844 CD PRO A 420 6.869 11.949 3.024 1.00 0.00 C ATOM 0 HA PRO A 420 7.032 10.360 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.039 13.126 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.602 12.282 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.687 13.710 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.943 13.738 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.509 12.188 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.888 11.696 3.426 1.00 0.00 H new ATOM 852 N ALA A 421 9.716 11.965 1.086 1.00 0.00 N ATOM 853 CA ALA A 421 11.100 12.217 0.703 1.00 0.00 C ATOM 854 C ALA A 421 11.811 10.921 0.328 1.00 0.00 C ATOM 855 O ALA A 421 12.488 10.847 -0.698 1.00 0.00 O ATOM 856 CB ALA A 421 11.840 12.920 1.831 1.00 0.00 C ATOM 0 H ALA A 421 9.475 12.278 2.026 1.00 0.00 H new ATOM 0 HA ALA A 421 11.096 12.865 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 421 12.872 13.102 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.353 13.870 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.826 12.292 2.722 1.00 0.00 H new ATOM 862 N LYS A 422 11.653 9.902 1.165 1.00 0.00 N ATOM 863 CA LYS A 422 12.279 8.607 0.922 1.00 0.00 C ATOM 864 C LYS A 422 11.863 8.048 -0.435 1.00 0.00 C ATOM 865 O LYS A 422 12.703 7.606 -1.219 1.00 0.00 O ATOM 866 CB LYS A 422 11.903 7.620 2.029 1.00 0.00 C ATOM 867 CG LYS A 422 12.756 7.754 3.279 1.00 0.00 C ATOM 868 CD LYS A 422 14.057 6.980 3.152 1.00 0.00 C ATOM 869 CE LYS A 422 15.074 7.425 4.192 1.00 0.00 C ATOM 870 NZ LYS A 422 14.703 6.970 5.561 1.00 0.00 N ATOM 0 H LYS A 422 11.096 9.947 2.019 1.00 0.00 H new ATOM 0 HA LYS A 422 13.360 8.748 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 422 10.857 7.768 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 422 11.994 6.604 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.974 8.806 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.198 7.390 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 422 13.860 5.914 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.470 7.122 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 422 16.056 7.030 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 422 15.154 8.512 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 14.664 7.789 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 13.771 6.508 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.414 6.294 5.907 1.00 0.00 H new ATOM 884 N VAL A 423 10.562 8.072 -0.707 1.00 0.00 N ATOM 885 CA VAL A 423 10.036 7.570 -1.970 1.00 0.00 C ATOM 886 C VAL A 423 10.535 8.405 -3.144 1.00 0.00 C ATOM 887 O VAL A 423 10.745 7.890 -4.242 1.00 0.00 O ATOM 888 CB VAL A 423 8.495 7.567 -1.975 1.00 0.00 C ATOM 889 CG1 VAL A 423 7.966 7.384 -3.389 1.00 0.00 C ATOM 890 CG2 VAL A 423 7.962 6.482 -1.052 1.00 0.00 C ATOM 0 H VAL A 423 9.853 8.434 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 423 10.395 6.546 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 423 8.145 8.531 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 423 6.876 7.384 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.320 8.201 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.322 6.436 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.872 6.494 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.319 5.509 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.312 6.664 -0.036 1.00 0.00 H new ATOM 900 N LYS A 424 10.723 9.699 -2.905 1.00 0.00 N ATOM 901 CA LYS A 424 11.200 10.607 -3.941 1.00 0.00 C ATOM 902 C LYS A 424 12.616 10.243 -4.375 1.00 0.00 C ATOM 903 O LYS A 424 12.977 10.400 -5.541 1.00 0.00 O ATOM 904 CB LYS A 424 11.165 12.052 -3.437 1.00 0.00 C ATOM 905 CG LYS A 424 9.809 12.718 -3.594 1.00 0.00 C ATOM 906 CD LYS A 424 9.530 13.081 -5.043 1.00 0.00 C ATOM 907 CE LYS A 424 10.349 14.284 -5.484 1.00 0.00 C ATOM 908 NZ LYS A 424 10.196 14.556 -6.941 1.00 0.00 N ATOM 0 H LYS A 424 10.552 10.142 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 424 10.540 10.513 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 424 11.449 12.068 -2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 424 11.911 12.635 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 424 9.030 12.049 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 424 9.771 13.617 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 424 9.759 12.229 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 424 8.469 13.297 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 424 10.040 15.162 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 424 11.401 14.111 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 10.770 15.383 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 10.515 13.728 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 9.196 14.747 -7.155 1.00 0.00 H new ATOM 922 N GLU A 425 13.413 9.755 -3.429 1.00 0.00 N ATOM 923 CA GLU A 425 14.789 9.369 -3.716 1.00 0.00 C ATOM 924 C GLU A 425 14.833 8.082 -4.535 1.00 0.00 C ATOM 925 O GLU A 425 15.624 7.955 -5.471 1.00 0.00 O ATOM 926 CB GLU A 425 15.572 9.184 -2.414 1.00 0.00 C ATOM 927 CG GLU A 425 17.078 9.135 -2.611 1.00 0.00 C ATOM 928 CD GLU A 425 17.653 10.469 -3.047 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.831 11.350 -2.180 1.00 0.00 O ATOM 930 OE2 GLU A 425 17.924 10.632 -4.255 1.00 0.00 O ATOM 0 H GLU A 425 13.129 9.618 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 425 15.249 10.167 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.329 10.001 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.247 8.262 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.553 8.826 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.319 8.378 -3.358 1.00 0.00 H new ATOM 937 N PHE A 426 13.979 7.129 -4.177 1.00 0.00 N ATOM 938 CA PHE A 426 13.921 5.852 -4.877 1.00 0.00 C ATOM 939 C PHE A 426 13.561 6.052 -6.346 1.00 0.00 C ATOM 940 O PHE A 426 14.084 5.365 -7.223 1.00 0.00 O ATOM 941 CB PHE A 426 12.899 4.927 -4.212 1.00 0.00 C ATOM 942 CG PHE A 426 12.433 3.810 -5.101 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.209 2.675 -5.274 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.220 3.895 -5.764 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.783 1.645 -6.091 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.788 2.868 -6.582 1.00 0.00 C ATOM 947 CZ PHE A 426 11.572 1.742 -6.747 1.00 0.00 C ATOM 0 H PHE A 426 13.317 7.217 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 426 14.908 5.392 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.338 4.503 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.037 5.516 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.158 2.594 -4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.605 4.774 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.397 0.765 -6.216 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.839 2.945 -7.092 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.238 0.939 -7.388 1.00 0.00 H new ATOM 957 N GLU A 427 12.665 6.999 -6.606 1.00 0.00 N ATOM 958 CA GLU A 427 12.234 7.289 -7.968 1.00 0.00 C ATOM 959 C GLU A 427 13.322 8.036 -8.735 1.00 0.00 C ATOM 960 O GLU A 427 13.220 8.230 -9.947 1.00 0.00 O ATOM 961 CB GLU A 427 10.946 8.115 -7.955 1.00 0.00 C ATOM 962 CG GLU A 427 9.772 7.401 -7.306 1.00 0.00 C ATOM 963 CD GLU A 427 8.434 7.970 -7.735 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.220 8.126 -8.955 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.602 8.261 -6.851 1.00 0.00 O ATOM 0 H GLU A 427 12.224 7.578 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 427 12.044 6.341 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.129 9.050 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.681 8.375 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.810 6.342 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.862 7.472 -6.222 1.00 0.00 H new ATOM 972 N SER A 428 14.362 8.453 -8.020 1.00 0.00 N ATOM 973 CA SER A 428 15.467 9.182 -8.632 1.00 0.00 C ATOM 974 C SER A 428 16.415 8.228 -9.352 1.00 0.00 C ATOM 975 O SER A 428 17.317 8.657 -10.073 1.00 0.00 O ATOM 976 CB SER A 428 16.233 9.974 -7.570 1.00 0.00 C ATOM 977 OG SER A 428 16.910 11.078 -8.146 1.00 0.00 O ATOM 0 H SER A 428 14.463 8.299 -7.017 1.00 0.00 H new ATOM 0 HA SER A 428 15.052 9.875 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.541 10.327 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.951 9.322 -7.073 1.00 0.00 H new ATOM 0 HG SER A 428 17.390 11.568 -7.447 1.00 0.00 H new ATOM 983 N LEU A 429 16.204 6.932 -9.153 1.00 0.00 N ATOM 984 CA LEU A 429 17.038 5.915 -9.783 1.00 0.00 C ATOM 985 C LEU A 429 16.499 5.545 -11.161 1.00 0.00 C ATOM 986 O LEU A 429 17.266 5.305 -12.094 1.00 0.00 O ATOM 987 CB LEU A 429 17.111 4.668 -8.900 1.00 0.00 C ATOM 988 CG LEU A 429 16.067 3.586 -9.179 1.00 0.00 C ATOM 989 CD1 LEU A 429 16.412 2.825 -10.449 1.00 0.00 C ATOM 990 CD2 LEU A 429 15.958 2.633 -7.997 1.00 0.00 C ATOM 0 H LEU A 429 15.462 6.560 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 429 18.040 6.327 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 429 18.101 4.226 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 429 17.015 4.978 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 429 15.100 4.069 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 429 15.658 2.059 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 429 16.438 3.516 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.388 2.353 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 429 15.211 1.870 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 429 16.923 2.157 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 429 15.662 3.189 -7.107 1.00 0.00 H new ATOM 1002 N GLN A 430 15.176 5.503 -11.282 1.00 0.00 N ATOM 1003 CA GLN A 430 14.535 5.164 -12.547 1.00 0.00 C ATOM 1004 C GLN A 430 14.432 6.389 -13.450 1.00 0.00 C ATOM 1005 O GLN A 430 14.030 6.286 -14.609 1.00 0.00 O ATOM 1006 CB GLN A 430 13.143 4.582 -12.297 1.00 0.00 C ATOM 1007 CG GLN A 430 12.048 5.634 -12.220 1.00 0.00 C ATOM 1008 CD GLN A 430 11.601 6.113 -13.587 1.00 0.00 C ATOM 1009 OE1 GLN A 430 11.811 7.270 -13.951 1.00 0.00 O ATOM 1010 NE2 GLN A 430 10.981 5.223 -14.353 1.00 0.00 N ATOM 0 H GLN A 430 14.527 5.699 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 430 15.149 4.416 -13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 430 12.904 3.879 -13.095 1.00 0.00 H new ATOM 0 HB3 GLN A 430 13.157 4.015 -11.366 1.00 0.00 H new ATOM 0 HG2 GLN A 430 11.192 5.223 -11.685 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.407 6.485 -11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 430 10.828 4.274 -14.011 1.00 0.00 H new ATOM 0 HE22 GLN A 430 10.658 5.488 -15.283 1.00 0.00 H new ATOM 1019 N VAL A 431 14.798 7.548 -12.912 1.00 0.00 N ATOM 1020 CA VAL A 431 14.748 8.792 -13.670 1.00 0.00 C ATOM 1021 C VAL A 431 16.052 9.571 -13.534 1.00 0.00 C ATOM 1022 O VAL A 431 16.335 10.471 -14.325 1.00 0.00 O ATOM 1023 CB VAL A 431 13.580 9.684 -13.208 1.00 0.00 C ATOM 1024 CG1 VAL A 431 13.948 10.428 -11.933 1.00 0.00 C ATOM 1025 CG2 VAL A 431 13.187 10.658 -14.308 1.00 0.00 C ATOM 0 H VAL A 431 15.132 7.651 -11.954 1.00 0.00 H new ATOM 0 HA VAL A 431 14.597 8.520 -14.715 1.00 0.00 H new ATOM 0 HB VAL A 431 12.722 9.047 -12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 431 13.111 11.053 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 431 14.177 9.710 -11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 431 14.820 11.055 -12.117 1.00 0.00 H new ATOM 0 HG21 VAL A 431 12.361 11.280 -13.965 1.00 0.00 H new ATOM 0 HG22 VAL A 431 14.039 11.291 -14.555 1.00 0.00 H new ATOM 0 HG23 VAL A 431 12.879 10.102 -15.193 1.00 0.00 H new TER 1035 VAL A 431