USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=17 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= -5.9! C(o=-5.9!,f=-7.2!) USER MOD Set 1.2: A 396 THR OG1 : rot 180:sc= -0.0203 USER MOD Set 2.1: A 386 THR OG1 : rot -91:sc= 0.885 USER MOD Set 2.2: A 397 HIS : no HD1:sc= 0.723 K(o=1.6,f=-2.4) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc=-0.00537 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.074) USER MOD Single : A 374 TYR OH : 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 USER MOD Single : A 398 TYR OH : rot -160:sc= 0.0529 USER MOD Single : A 401 LYS NZ :NH3+ 135:sc= 0.197 (180deg=0) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot -160:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 38:sc= 0.628 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 422 LYS NZ :NH3+ 151:sc= 0.703 (180deg=0.603) 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= -3.69 K(o=-3.7,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 16.136 -0.798 29.246 1.00 0.00 N ATOM 2 CA GLY A 364 15.613 0.541 29.049 1.00 0.00 C ATOM 3 C GLY A 364 14.261 0.541 28.364 1.00 0.00 C ATOM 4 O GLY A 364 13.940 -0.378 27.610 1.00 0.00 O ATOM 0 HA2 GLY A 364 15.528 1.040 30.014 1.00 0.00 H new ATOM 0 HA3 GLY A 364 16.319 1.119 28.453 1.00 0.00 H new ATOM 8 N SER A 365 13.466 1.573 28.626 1.00 0.00 N ATOM 9 CA SER A 365 12.139 1.686 28.033 1.00 0.00 C ATOM 10 C SER A 365 12.190 2.485 26.734 1.00 0.00 C ATOM 11 O SER A 365 13.042 3.356 26.562 1.00 0.00 O ATOM 12 CB SER A 365 11.172 2.349 29.016 1.00 0.00 C ATOM 13 OG SER A 365 10.827 1.465 30.067 1.00 0.00 O ATOM 0 H SER A 365 13.718 2.343 29.245 1.00 0.00 H new ATOM 0 HA SER A 365 11.783 0.681 27.807 1.00 0.00 H new ATOM 0 HB2 SER A 365 11.628 3.249 29.429 1.00 0.00 H new ATOM 0 HB3 SER A 365 10.271 2.662 28.489 1.00 0.00 H new ATOM 0 HG SER A 365 10.210 1.913 30.682 1.00 0.00 H new ATOM 19 N SER A 366 11.271 2.182 25.823 1.00 0.00 N ATOM 20 CA SER A 366 11.212 2.868 24.538 1.00 0.00 C ATOM 21 C SER A 366 10.200 4.009 24.578 1.00 0.00 C ATOM 22 O SER A 366 10.467 5.107 24.091 1.00 0.00 O ATOM 23 CB SER A 366 10.844 1.884 23.426 1.00 0.00 C ATOM 24 OG SER A 366 11.938 1.040 23.110 1.00 0.00 O ATOM 0 H SER A 366 10.557 1.465 25.951 1.00 0.00 H new ATOM 0 HA SER A 366 12.197 3.286 24.332 1.00 0.00 H new ATOM 0 HB2 SER A 366 9.992 1.279 23.738 1.00 0.00 H new ATOM 0 HB3 SER A 366 10.536 2.434 22.537 1.00 0.00 H new ATOM 0 HG SER A 366 11.677 0.419 22.398 1.00 0.00 H new ATOM 30 N GLY A 367 9.036 3.740 25.161 1.00 0.00 N ATOM 31 CA GLY A 367 8.001 4.753 25.254 1.00 0.00 C ATOM 32 C GLY A 367 6.728 4.348 24.539 1.00 0.00 C ATOM 33 O GLY A 367 6.479 4.774 23.411 1.00 0.00 O ATOM 0 H GLY A 367 8.791 2.839 25.571 1.00 0.00 H new ATOM 0 HA2 GLY A 367 7.779 4.946 26.304 1.00 0.00 H new ATOM 0 HA3 GLY A 367 8.371 5.686 24.830 1.00 0.00 H new ATOM 37 N SER A 368 5.920 3.521 25.195 1.00 0.00 N ATOM 38 CA SER A 368 4.668 3.053 24.612 1.00 0.00 C ATOM 39 C SER A 368 3.559 4.082 24.810 1.00 0.00 C ATOM 40 O SER A 368 2.440 3.739 25.192 1.00 0.00 O ATOM 41 CB SER A 368 4.258 1.718 25.236 1.00 0.00 C ATOM 42 OG SER A 368 3.919 1.876 26.603 1.00 0.00 O ATOM 0 H SER A 368 6.110 3.161 26.130 1.00 0.00 H new ATOM 0 HA SER A 368 4.824 2.913 23.542 1.00 0.00 H new ATOM 0 HB2 SER A 368 3.408 1.305 24.693 1.00 0.00 H new ATOM 0 HB3 SER A 368 5.075 1.003 25.141 1.00 0.00 H new ATOM 0 HG SER A 368 3.659 1.009 26.978 1.00 0.00 H new ATOM 48 N SER A 369 3.878 5.345 24.546 1.00 0.00 N ATOM 49 CA SER A 369 2.911 6.426 24.699 1.00 0.00 C ATOM 50 C SER A 369 1.786 6.296 23.676 1.00 0.00 C ATOM 51 O SER A 369 0.616 6.173 24.036 1.00 0.00 O ATOM 52 CB SER A 369 3.602 7.782 24.545 1.00 0.00 C ATOM 53 OG SER A 369 2.902 8.793 25.249 1.00 0.00 O ATOM 0 H SER A 369 4.799 5.645 24.225 1.00 0.00 H new ATOM 0 HA SER A 369 2.480 6.357 25.698 1.00 0.00 H new ATOM 0 HB2 SER A 369 4.625 7.717 24.917 1.00 0.00 H new ATOM 0 HB3 SER A 369 3.663 8.045 23.489 1.00 0.00 H new ATOM 0 HG SER A 369 3.364 9.650 25.137 1.00 0.00 H new ATOM 59 N GLY A 370 2.151 6.325 22.398 1.00 0.00 N ATOM 60 CA GLY A 370 1.162 6.210 21.342 1.00 0.00 C ATOM 61 C GLY A 370 1.781 5.862 20.003 1.00 0.00 C ATOM 62 O GLY A 370 1.907 4.689 19.656 1.00 0.00 O ATOM 0 H GLY A 370 3.113 6.426 22.075 1.00 0.00 H new ATOM 0 HA2 GLY A 370 0.434 5.445 21.612 1.00 0.00 H new ATOM 0 HA3 GLY A 370 0.618 7.151 21.254 1.00 0.00 H new ATOM 66 N ASN A 371 2.167 6.885 19.248 1.00 0.00 N ATOM 67 CA ASN A 371 2.775 6.682 17.938 1.00 0.00 C ATOM 68 C ASN A 371 4.034 5.827 18.049 1.00 0.00 C ATOM 69 O ASN A 371 4.980 6.161 18.763 1.00 0.00 O ATOM 70 CB ASN A 371 3.114 8.028 17.295 1.00 0.00 C ATOM 71 CG ASN A 371 1.918 8.958 17.236 1.00 0.00 C ATOM 72 OD1 ASN A 371 1.081 8.854 16.339 1.00 0.00 O ATOM 73 ND2 ASN A 371 1.833 9.874 18.193 1.00 0.00 N ATOM 0 H ASN A 371 2.070 7.863 19.521 1.00 0.00 H new ATOM 0 HA ASN A 371 2.056 6.158 17.309 1.00 0.00 H new ATOM 0 HB2 ASN A 371 3.915 8.506 17.859 1.00 0.00 H new ATOM 0 HB3 ASN A 371 3.491 7.861 16.286 1.00 0.00 H new ATOM 0 HD21 ASN A 371 1.051 10.528 18.205 1.00 0.00 H new ATOM 0 HD22 ASN A 371 2.550 9.924 18.917 1.00 0.00 H new ATOM 80 N PRO A 372 4.048 4.698 17.325 1.00 0.00 N ATOM 81 CA PRO A 372 5.185 3.772 17.325 1.00 0.00 C ATOM 82 C PRO A 372 6.406 4.354 16.620 1.00 0.00 C ATOM 83 O PRO A 372 6.534 4.260 15.400 1.00 0.00 O ATOM 84 CB PRO A 372 4.654 2.559 16.558 1.00 0.00 C ATOM 85 CG PRO A 372 3.577 3.104 15.684 1.00 0.00 C ATOM 86 CD PRO A 372 2.955 4.237 16.452 1.00 0.00 C ATOM 0 HA PRO A 372 5.523 3.541 18.335 1.00 0.00 H new ATOM 0 HB2 PRO A 372 5.441 2.088 15.969 1.00 0.00 H new ATOM 0 HB3 PRO A 372 4.266 1.800 17.237 1.00 0.00 H new ATOM 0 HG2 PRO A 372 3.984 3.453 14.735 1.00 0.00 H new ATOM 0 HG3 PRO A 372 2.838 2.338 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 372 2.609 5.030 15.789 1.00 0.00 H new ATOM 0 HD3 PRO A 372 2.092 3.905 17.030 1.00 0.00 H new ATOM 94 N ASP A 373 7.300 4.955 17.397 1.00 0.00 N ATOM 95 CA ASP A 373 8.512 5.551 16.848 1.00 0.00 C ATOM 96 C ASP A 373 9.159 4.623 15.824 1.00 0.00 C ATOM 97 O ASP A 373 9.776 3.620 16.183 1.00 0.00 O ATOM 98 CB ASP A 373 9.505 5.865 17.968 1.00 0.00 C ATOM 99 CG ASP A 373 10.692 6.673 17.481 1.00 0.00 C ATOM 100 OD1 ASP A 373 10.522 7.884 17.228 1.00 0.00 O ATOM 101 OD2 ASP A 373 11.791 6.095 17.353 1.00 0.00 O ATOM 0 H ASP A 373 7.208 5.042 18.409 1.00 0.00 H new ATOM 0 HA ASP A 373 8.235 6.479 16.347 1.00 0.00 H new ATOM 0 HB2 ASP A 373 8.994 6.415 18.758 1.00 0.00 H new ATOM 0 HB3 ASP A 373 9.860 4.932 18.407 1.00 0.00 H new ATOM 106 N TYR A 374 9.012 4.964 14.549 1.00 0.00 N ATOM 107 CA TYR A 374 9.578 4.160 13.472 1.00 0.00 C ATOM 108 C TYR A 374 11.035 4.536 13.220 1.00 0.00 C ATOM 109 O TYR A 374 11.325 5.554 12.592 1.00 0.00 O ATOM 110 CB TYR A 374 8.763 4.340 12.190 1.00 0.00 C ATOM 111 CG TYR A 374 7.607 3.374 12.067 1.00 0.00 C ATOM 112 CD1 TYR A 374 7.826 2.004 11.991 1.00 0.00 C ATOM 113 CD2 TYR A 374 6.295 3.830 12.025 1.00 0.00 C ATOM 114 CE1 TYR A 374 6.773 1.117 11.878 1.00 0.00 C ATOM 115 CE2 TYR A 374 5.236 2.951 11.913 1.00 0.00 C ATOM 116 CZ TYR A 374 5.480 1.595 11.840 1.00 0.00 C ATOM 117 OH TYR A 374 4.427 0.716 11.727 1.00 0.00 O ATOM 0 H TYR A 374 8.506 5.792 14.236 1.00 0.00 H new ATOM 0 HA TYR A 374 9.539 3.114 13.775 1.00 0.00 H new ATOM 0 HB2 TYR A 374 8.379 5.359 12.154 1.00 0.00 H new ATOM 0 HB3 TYR A 374 9.422 4.217 11.330 1.00 0.00 H new ATOM 0 HD1 TYR A 374 8.837 1.626 12.021 1.00 0.00 H new ATOM 0 HD2 TYR A 374 6.100 4.891 12.081 1.00 0.00 H new ATOM 0 HE1 TYR A 374 6.961 0.055 11.820 1.00 0.00 H new ATOM 0 HE2 TYR A 374 4.222 3.323 11.883 1.00 0.00 H new ATOM 0 HH TYR A 374 3.584 1.215 11.715 1.00 0.00 H new ATOM 127 N VAL A 375 11.947 3.705 13.713 1.00 0.00 N ATOM 128 CA VAL A 375 13.375 3.948 13.541 1.00 0.00 C ATOM 129 C VAL A 375 13.690 4.380 12.113 1.00 0.00 C ATOM 130 O VAL A 375 13.116 3.861 11.156 1.00 0.00 O ATOM 131 CB VAL A 375 14.202 2.694 13.880 1.00 0.00 C ATOM 132 CG1 VAL A 375 13.882 1.564 12.913 1.00 0.00 C ATOM 133 CG2 VAL A 375 15.689 3.016 13.862 1.00 0.00 C ATOM 0 H VAL A 375 11.723 2.858 14.235 1.00 0.00 H new ATOM 0 HA VAL A 375 13.645 4.749 14.229 1.00 0.00 H new ATOM 0 HB VAL A 375 13.936 2.366 14.885 1.00 0.00 H new ATOM 0 HG11 VAL A 375 14.476 0.687 13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 375 12.823 1.317 12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 375 14.118 1.878 11.896 1.00 0.00 H new ATOM 0 HG21 VAL A 375 16.259 2.119 14.104 1.00 0.00 H new ATOM 0 HG22 VAL A 375 15.973 3.370 12.871 1.00 0.00 H new ATOM 0 HG23 VAL A 375 15.902 3.791 14.599 1.00 0.00 H new ATOM 143 N GLU A 376 14.606 5.333 11.978 1.00 0.00 N ATOM 144 CA GLU A 376 14.998 5.835 10.666 1.00 0.00 C ATOM 145 C GLU A 376 15.087 4.698 9.653 1.00 0.00 C ATOM 146 O GLU A 376 15.708 3.667 9.913 1.00 0.00 O ATOM 147 CB GLU A 376 16.341 6.562 10.753 1.00 0.00 C ATOM 148 CG GLU A 376 17.511 5.644 11.061 1.00 0.00 C ATOM 149 CD GLU A 376 18.846 6.361 11.009 1.00 0.00 C ATOM 150 OE1 GLU A 376 19.092 7.087 10.023 1.00 0.00 O ATOM 151 OE2 GLU A 376 19.645 6.197 11.955 1.00 0.00 O ATOM 0 H GLU A 376 15.091 5.773 12.760 1.00 0.00 H new ATOM 0 HA GLU A 376 14.235 6.538 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 376 16.530 7.073 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.280 7.330 11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 376 17.375 5.209 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 376 17.518 4.819 10.348 1.00 0.00 H new ATOM 158 N VAL A 377 14.463 4.893 8.495 1.00 0.00 N ATOM 159 CA VAL A 377 14.472 3.885 7.442 1.00 0.00 C ATOM 160 C VAL A 377 15.778 3.922 6.657 1.00 0.00 C ATOM 161 O VAL A 377 16.278 4.993 6.313 1.00 0.00 O ATOM 162 CB VAL A 377 13.295 4.081 6.468 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.477 3.216 5.230 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.975 3.769 7.158 1.00 0.00 C ATOM 0 H VAL A 377 13.945 5.740 8.263 1.00 0.00 H new ATOM 0 HA VAL A 377 14.373 2.916 7.931 1.00 0.00 H new ATOM 0 HB VAL A 377 13.276 5.124 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.636 3.368 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.403 3.493 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.523 2.167 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.154 3.913 6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.980 2.735 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.844 4.435 8.010 1.00 0.00 H new ATOM 174 N ASP A 378 16.327 2.745 6.378 1.00 0.00 N ATOM 175 CA ASP A 378 17.576 2.642 5.632 1.00 0.00 C ATOM 176 C ASP A 378 17.394 3.128 4.197 1.00 0.00 C ATOM 177 O ASP A 378 18.099 4.029 3.743 1.00 0.00 O ATOM 178 CB ASP A 378 18.078 1.197 5.634 1.00 0.00 C ATOM 179 CG ASP A 378 19.493 1.075 5.102 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.221 2.089 5.117 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.871 -0.035 4.671 1.00 0.00 O ATOM 0 H ASP A 378 15.927 1.849 6.657 1.00 0.00 H new ATOM 0 HA ASP A 378 18.316 3.277 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.040 0.803 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.411 0.583 5.029 1.00 0.00 H new ATOM 186 N ARG A 379 16.445 2.524 3.489 1.00 0.00 N ATOM 187 CA ARG A 379 16.172 2.895 2.106 1.00 0.00 C ATOM 188 C ARG A 379 14.948 2.153 1.576 1.00 0.00 C ATOM 189 O ARG A 379 14.277 1.435 2.317 1.00 0.00 O ATOM 190 CB ARG A 379 17.386 2.591 1.225 1.00 0.00 C ATOM 191 CG ARG A 379 17.618 1.106 0.999 1.00 0.00 C ATOM 192 CD ARG A 379 18.438 0.855 -0.257 1.00 0.00 C ATOM 193 NE ARG A 379 17.728 1.267 -1.465 1.00 0.00 N ATOM 194 CZ ARG A 379 18.326 1.484 -2.631 1.00 0.00 C ATOM 195 NH1 ARG A 379 19.638 1.329 -2.746 1.00 0.00 N ATOM 196 NH2 ARG A 379 17.612 1.856 -3.685 1.00 0.00 N ATOM 0 H ARG A 379 15.853 1.776 3.850 1.00 0.00 H new ATOM 0 HA ARG A 379 15.969 3.965 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.256 3.081 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.275 3.023 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.132 0.682 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.659 0.595 0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.381 1.397 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.683 -0.205 -0.324 1.00 0.00 H new ATOM 0 HE ARG A 379 16.718 1.395 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.190 1.042 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 379 20.095 1.496 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 379 16.603 1.976 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 379 18.072 2.022 -4.580 1.00 0.00 H new ATOM 210 N ILE A 380 14.664 2.334 0.291 1.00 0.00 N ATOM 211 CA ILE A 380 13.521 1.682 -0.338 1.00 0.00 C ATOM 212 C ILE A 380 13.974 0.626 -1.341 1.00 0.00 C ATOM 213 O ILE A 380 14.457 0.952 -2.426 1.00 0.00 O ATOM 214 CB ILE A 380 12.616 2.700 -1.054 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.104 3.747 -0.063 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.453 1.991 -1.731 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.439 4.933 -0.725 1.00 0.00 C ATOM 0 H ILE A 380 15.209 2.926 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 380 12.953 1.202 0.459 1.00 0.00 H new ATOM 0 HB ILE A 380 13.202 3.208 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.394 3.275 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.938 4.100 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.822 2.725 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.837 1.281 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.866 1.459 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.101 5.634 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.152 5.429 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.584 4.592 -1.308 1.00 0.00 H new ATOM 229 N LEU A 381 13.813 -0.640 -0.973 1.00 0.00 N ATOM 230 CA LEU A 381 14.203 -1.745 -1.841 1.00 0.00 C ATOM 231 C LEU A 381 13.403 -1.726 -3.140 1.00 0.00 C ATOM 232 O LEU A 381 13.964 -1.571 -4.223 1.00 0.00 O ATOM 233 CB LEU A 381 14.000 -3.080 -1.123 1.00 0.00 C ATOM 234 CG LEU A 381 15.095 -3.485 -0.135 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.621 -4.627 0.749 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.365 -3.873 -0.877 1.00 0.00 C ATOM 0 H LEU A 381 13.415 -0.927 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 381 15.259 -1.628 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 381 13.052 -3.041 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.909 -3.864 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 381 15.318 -2.629 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.414 -4.901 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.740 -4.313 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.369 -5.487 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 381 17.133 -4.158 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.157 -4.714 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.716 -3.025 -1.466 1.00 0.00 H new ATOM 248 N GLU A 382 12.088 -1.882 -3.021 1.00 0.00 N ATOM 249 CA GLU A 382 11.211 -1.881 -4.186 1.00 0.00 C ATOM 250 C GLU A 382 9.798 -1.451 -3.802 1.00 0.00 C ATOM 251 O GLU A 382 9.471 -1.336 -2.621 1.00 0.00 O ATOM 252 CB GLU A 382 11.176 -3.270 -4.827 1.00 0.00 C ATOM 253 CG GLU A 382 10.851 -3.247 -6.311 1.00 0.00 C ATOM 254 CD GLU A 382 11.281 -4.515 -7.022 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.191 -5.599 -6.408 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.709 -4.424 -8.192 1.00 0.00 O ATOM 0 H GLU A 382 11.607 -2.011 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 382 11.607 -1.166 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 382 12.143 -3.752 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.435 -3.881 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 382 9.778 -3.108 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 382 11.342 -2.391 -6.774 1.00 0.00 H new ATOM 263 N VAL A 383 8.964 -1.213 -4.810 1.00 0.00 N ATOM 264 CA VAL A 383 7.586 -0.796 -4.580 1.00 0.00 C ATOM 265 C VAL A 383 6.603 -1.757 -5.239 1.00 0.00 C ATOM 266 O VAL A 383 6.795 -2.170 -6.382 1.00 0.00 O ATOM 267 CB VAL A 383 7.334 0.626 -5.116 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.623 0.694 -6.608 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.906 1.060 -4.821 1.00 0.00 C ATOM 0 H VAL A 383 9.219 -1.302 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 383 7.429 -0.804 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 383 8.011 1.313 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.439 1.706 -6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.664 0.428 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.973 -0.003 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.745 2.067 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.210 0.372 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.739 1.053 -3.744 1.00 0.00 H new ATOM 279 N ALA A 384 5.550 -2.110 -4.510 1.00 0.00 N ATOM 280 CA ALA A 384 4.535 -3.021 -5.024 1.00 0.00 C ATOM 281 C ALA A 384 3.137 -2.434 -4.860 1.00 0.00 C ATOM 282 O ALA A 384 2.819 -1.838 -3.831 1.00 0.00 O ATOM 283 CB ALA A 384 4.630 -4.367 -4.322 1.00 0.00 C ATOM 0 H ALA A 384 5.377 -1.779 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 384 4.717 -3.165 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.866 -5.037 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.616 -4.799 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.476 -4.231 -3.252 1.00 0.00 H new ATOM 289 N HIS A 385 2.305 -2.606 -5.883 1.00 0.00 N ATOM 290 CA HIS A 385 0.940 -2.093 -5.852 1.00 0.00 C ATOM 291 C HIS A 385 -0.070 -3.237 -5.838 1.00 0.00 C ATOM 292 O HIS A 385 0.026 -4.175 -6.630 1.00 0.00 O ATOM 293 CB HIS A 385 0.685 -1.187 -7.057 1.00 0.00 C ATOM 294 CG HIS A 385 1.389 0.132 -6.973 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.681 0.268 -6.511 1.00 0.00 N ATOM 296 CD2 HIS A 385 0.974 1.379 -7.298 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.029 1.542 -6.553 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.011 2.237 -7.028 1.00 0.00 N ATOM 0 H HIS A 385 2.552 -3.096 -6.743 1.00 0.00 H new ATOM 0 HA HIS A 385 0.817 -1.512 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.004 -1.703 -7.963 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.387 -1.012 -7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.007 1.649 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.984 1.946 -6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 385 1.998 3.247 -7.171 1.00 0.00 H new ATOM 306 N THR A 386 -1.039 -3.154 -4.931 1.00 0.00 N ATOM 307 CA THR A 386 -2.065 -4.182 -4.812 1.00 0.00 C ATOM 308 C THR A 386 -3.461 -3.571 -4.846 1.00 0.00 C ATOM 309 O THR A 386 -3.630 -2.369 -4.639 1.00 0.00 O ATOM 310 CB THR A 386 -1.902 -4.991 -3.511 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.943 -4.113 -2.380 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.590 -5.761 -3.514 1.00 0.00 C ATOM 0 H THR A 386 -1.134 -2.385 -4.268 1.00 0.00 H new ATOM 0 HA THR A 386 -1.943 -4.851 -5.664 1.00 0.00 H new ATOM 0 HB THR A 386 -2.724 -5.704 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 386 -1.034 -3.818 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.497 -6.325 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.574 -6.449 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 386 0.242 -5.062 -3.599 1.00 0.00 H new ATOM 320 N LYS A 387 -4.461 -4.407 -5.106 1.00 0.00 N ATOM 321 CA LYS A 387 -5.845 -3.950 -5.165 1.00 0.00 C ATOM 322 C LYS A 387 -6.696 -4.658 -4.116 1.00 0.00 C ATOM 323 O LYS A 387 -6.523 -5.850 -3.863 1.00 0.00 O ATOM 324 CB LYS A 387 -6.426 -4.196 -6.559 1.00 0.00 C ATOM 325 CG LYS A 387 -7.885 -3.795 -6.689 1.00 0.00 C ATOM 326 CD LYS A 387 -8.458 -4.207 -8.035 1.00 0.00 C ATOM 327 CE LYS A 387 -8.231 -3.135 -9.089 1.00 0.00 C ATOM 328 NZ LYS A 387 -8.274 -3.695 -10.468 1.00 0.00 N ATOM 0 H LYS A 387 -4.339 -5.405 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.858 -2.880 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.839 -3.642 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.325 -5.253 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.463 -4.258 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.979 -2.716 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -7.996 -5.140 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -9.526 -4.399 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -8.991 -2.360 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -7.265 -2.659 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -8.115 -2.933 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -7.533 -4.417 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.205 -4.127 -10.638 1.00 0.00 H new ATOM 342 N ASP A 388 -7.616 -3.916 -3.508 1.00 0.00 N ATOM 343 CA ASP A 388 -8.496 -4.473 -2.488 1.00 0.00 C ATOM 344 C ASP A 388 -9.614 -5.293 -3.124 1.00 0.00 C ATOM 345 O ASP A 388 -9.750 -5.334 -4.346 1.00 0.00 O ATOM 346 CB ASP A 388 -9.091 -3.355 -1.631 1.00 0.00 C ATOM 347 CG ASP A 388 -9.551 -3.848 -0.273 1.00 0.00 C ATOM 348 OD1 ASP A 388 -8.698 -3.981 0.629 1.00 0.00 O ATOM 349 OD2 ASP A 388 -10.763 -4.101 -0.113 1.00 0.00 O ATOM 0 H ASP A 388 -7.771 -2.927 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.904 -5.131 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.347 -2.570 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.935 -2.908 -2.157 1.00 0.00 H new ATOM 354 N ALA A 389 -10.412 -5.947 -2.286 1.00 0.00 N ATOM 355 CA ALA A 389 -11.519 -6.765 -2.766 1.00 0.00 C ATOM 356 C ALA A 389 -12.860 -6.184 -2.331 1.00 0.00 C ATOM 357 O ALA A 389 -13.802 -6.119 -3.119 1.00 0.00 O ATOM 358 CB ALA A 389 -11.374 -8.195 -2.265 1.00 0.00 C ATOM 0 H ALA A 389 -10.312 -5.926 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.490 -6.768 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.207 -8.795 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.437 -8.615 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.374 -8.200 -1.175 1.00 0.00 H new ATOM 364 N GLU A 390 -12.938 -5.764 -1.072 1.00 0.00 N ATOM 365 CA GLU A 390 -14.165 -5.190 -0.534 1.00 0.00 C ATOM 366 C GLU A 390 -14.733 -4.135 -1.478 1.00 0.00 C ATOM 367 O GLU A 390 -15.934 -4.105 -1.746 1.00 0.00 O ATOM 368 CB GLU A 390 -13.905 -4.572 0.842 1.00 0.00 C ATOM 369 CG GLU A 390 -13.388 -5.567 1.868 1.00 0.00 C ATOM 370 CD GLU A 390 -14.502 -6.362 2.522 1.00 0.00 C ATOM 371 OE1 GLU A 390 -15.596 -5.796 2.724 1.00 0.00 O ATOM 372 OE2 GLU A 390 -14.277 -7.551 2.832 1.00 0.00 O ATOM 0 H GLU A 390 -12.166 -5.811 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.896 -5.992 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.182 -3.763 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.829 -4.128 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -12.692 -6.253 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -12.828 -5.034 2.636 1.00 0.00 H new ATOM 379 N THR A 391 -13.859 -3.268 -1.981 1.00 0.00 N ATOM 380 CA THR A 391 -14.271 -2.209 -2.894 1.00 0.00 C ATOM 381 C THR A 391 -13.570 -2.341 -4.241 1.00 0.00 C ATOM 382 O THR A 391 -14.208 -2.290 -5.292 1.00 0.00 O ATOM 383 CB THR A 391 -13.975 -0.815 -2.309 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.620 -0.755 -1.849 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.920 -0.499 -1.159 1.00 0.00 C ATOM 0 H THR A 391 -12.861 -3.279 -1.771 1.00 0.00 H new ATOM 0 HA THR A 391 -15.347 -2.315 -3.035 1.00 0.00 H new ATOM 0 HB THR A 391 -14.125 -0.076 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 391 -12.439 0.135 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 391 -14.692 0.490 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.949 -0.518 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.797 -1.243 -0.372 1.00 0.00 H new ATOM 393 N GLY A 392 -12.252 -2.513 -4.203 1.00 0.00 N ATOM 394 CA GLY A 392 -11.486 -2.650 -5.428 1.00 0.00 C ATOM 395 C GLY A 392 -10.672 -1.412 -5.745 1.00 0.00 C ATOM 396 O GLY A 392 -10.588 -0.996 -6.900 1.00 0.00 O ATOM 0 H GLY A 392 -11.701 -2.560 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.819 -3.507 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.164 -2.857 -6.256 1.00 0.00 H new ATOM 400 N GLU A 393 -10.072 -0.820 -4.717 1.00 0.00 N ATOM 401 CA GLU A 393 -9.263 0.380 -4.893 1.00 0.00 C ATOM 402 C GLU A 393 -7.815 0.018 -5.212 1.00 0.00 C ATOM 403 O GLU A 393 -7.327 -1.038 -4.812 1.00 0.00 O ATOM 404 CB GLU A 393 -9.318 1.248 -3.633 1.00 0.00 C ATOM 405 CG GLU A 393 -10.642 1.970 -3.449 1.00 0.00 C ATOM 406 CD GLU A 393 -10.703 3.279 -4.213 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.115 3.353 -5.312 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.341 4.228 -3.712 1.00 0.00 O ATOM 0 H GLU A 393 -10.131 -1.152 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.672 0.943 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.132 0.621 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.515 1.984 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.454 1.322 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -10.801 2.165 -2.388 1.00 0.00 H new ATOM 415 N GLU A 394 -7.136 0.903 -5.935 1.00 0.00 N ATOM 416 CA GLU A 394 -5.745 0.676 -6.309 1.00 0.00 C ATOM 417 C GLU A 394 -4.810 0.994 -5.145 1.00 0.00 C ATOM 418 O GLU A 394 -4.234 2.080 -5.076 1.00 0.00 O ATOM 419 CB GLU A 394 -5.374 1.529 -7.523 1.00 0.00 C ATOM 420 CG GLU A 394 -5.978 1.030 -8.825 1.00 0.00 C ATOM 421 CD GLU A 394 -7.418 1.469 -9.006 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.790 2.527 -8.457 1.00 0.00 O ATOM 423 OE2 GLU A 394 -8.173 0.755 -9.699 1.00 0.00 O ATOM 0 H GLU A 394 -7.526 1.783 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.632 -0.377 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -5.701 2.554 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.289 1.553 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.383 1.396 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.928 -0.059 -8.851 1.00 0.00 H new ATOM 430 N VAL A 395 -4.664 0.038 -4.233 1.00 0.00 N ATOM 431 CA VAL A 395 -3.799 0.215 -3.072 1.00 0.00 C ATOM 432 C VAL A 395 -2.329 0.143 -3.467 1.00 0.00 C ATOM 433 O VAL A 395 -1.921 -0.733 -4.230 1.00 0.00 O ATOM 434 CB VAL A 395 -4.083 -0.847 -1.994 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.282 -0.557 -0.734 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.572 -0.910 -1.687 1.00 0.00 C ATOM 0 H VAL A 395 -5.133 -0.867 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 395 -4.014 1.202 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.773 -1.819 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.496 -1.318 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.218 -0.568 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.558 0.423 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.754 -1.666 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.910 0.061 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.120 -1.170 -2.593 1.00 0.00 H new ATOM 446 N THR A 396 -1.534 1.070 -2.941 1.00 0.00 N ATOM 447 CA THR A 396 -0.108 1.113 -3.238 1.00 0.00 C ATOM 448 C THR A 396 0.721 0.758 -2.009 1.00 0.00 C ATOM 449 O THR A 396 0.541 1.339 -0.938 1.00 0.00 O ATOM 450 CB THR A 396 0.318 2.502 -3.747 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.370 2.811 -4.964 1.00 0.00 O ATOM 452 CG2 THR A 396 1.821 2.556 -3.981 1.00 0.00 C ATOM 0 H THR A 396 -1.854 1.802 -2.307 1.00 0.00 H new ATOM 0 HA THR A 396 0.074 0.376 -4.020 1.00 0.00 H new ATOM 0 HB THR A 396 0.058 3.238 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.094 3.697 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.098 3.547 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.342 2.350 -3.046 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.101 1.809 -4.724 1.00 0.00 H new ATOM 460 N HIS A 397 1.630 -0.199 -2.170 1.00 0.00 N ATOM 461 CA HIS A 397 2.488 -0.630 -1.072 1.00 0.00 C ATOM 462 C HIS A 397 3.952 -0.329 -1.376 1.00 0.00 C ATOM 463 O HIS A 397 4.369 -0.334 -2.535 1.00 0.00 O ATOM 464 CB HIS A 397 2.306 -2.125 -0.812 1.00 0.00 C ATOM 465 CG HIS A 397 1.061 -2.453 -0.047 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.101 -2.887 -0.650 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.800 -2.411 1.281 1.00 0.00 C ATOM 468 CE1 HIS A 397 -1.022 -3.095 0.273 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.501 -2.814 1.453 1.00 0.00 N ATOM 0 H HIS A 397 1.791 -0.690 -3.049 1.00 0.00 H new ATOM 0 HA HIS A 397 2.200 -0.076 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.285 -2.651 -1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.170 -2.497 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.487 -2.115 2.060 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -2.031 -3.437 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.986 -2.885 2.347 1.00 0.00 H new ATOM 477 N TYR A 398 4.727 -0.065 -0.330 1.00 0.00 N ATOM 478 CA TYR A 398 6.144 0.242 -0.486 1.00 0.00 C ATOM 479 C TYR A 398 6.992 -0.605 0.459 1.00 0.00 C ATOM 480 O TYR A 398 6.790 -0.591 1.674 1.00 0.00 O ATOM 481 CB TYR A 398 6.397 1.727 -0.224 1.00 0.00 C ATOM 482 CG TYR A 398 5.973 2.624 -1.365 1.00 0.00 C ATOM 483 CD1 TYR A 398 6.822 2.865 -2.438 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.723 3.230 -1.370 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.439 3.684 -3.482 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.331 4.050 -2.411 1.00 0.00 C ATOM 487 CZ TYR A 398 5.193 4.274 -3.464 1.00 0.00 C ATOM 488 OH TYR A 398 4.807 5.090 -4.503 1.00 0.00 O ATOM 0 H TYR A 398 4.398 -0.057 0.635 1.00 0.00 H new ATOM 0 HA TYR A 398 6.430 0.007 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.863 2.024 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.459 1.877 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 398 7.798 2.404 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.046 3.057 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.112 3.861 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.355 4.513 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 398 4.075 5.671 -4.208 1.00 0.00 H new ATOM 498 N LEU A 399 7.942 -1.340 -0.108 1.00 0.00 N ATOM 499 CA LEU A 399 8.822 -2.194 0.682 1.00 0.00 C ATOM 500 C LEU A 399 9.824 -1.358 1.473 1.00 0.00 C ATOM 501 O LEU A 399 10.854 -0.940 0.945 1.00 0.00 O ATOM 502 CB LEU A 399 9.565 -3.174 -0.227 1.00 0.00 C ATOM 503 CG LEU A 399 10.319 -4.303 0.477 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.350 -5.217 1.209 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.150 -5.094 -0.523 1.00 0.00 C ATOM 0 H LEU A 399 8.123 -1.362 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 399 8.207 -2.755 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.845 -3.618 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.276 -2.610 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 399 10.993 -3.861 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 399 9.905 -6.014 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 399 8.799 -4.642 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.650 -5.651 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.680 -5.893 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.495 -5.525 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.871 -4.431 -1.001 1.00 0.00 H new ATOM 517 N VAL A 400 9.515 -1.120 2.744 1.00 0.00 N ATOM 518 CA VAL A 400 10.389 -0.338 3.609 1.00 0.00 C ATOM 519 C VAL A 400 11.558 -1.177 4.113 1.00 0.00 C ATOM 520 O VAL A 400 11.366 -2.190 4.785 1.00 0.00 O ATOM 521 CB VAL A 400 9.621 0.230 4.818 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.559 1.001 5.733 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.472 1.112 4.352 1.00 0.00 C ATOM 0 H VAL A 400 8.666 -1.458 3.197 1.00 0.00 H new ATOM 0 HA VAL A 400 10.770 0.488 3.009 1.00 0.00 H new ATOM 0 HB VAL A 400 9.204 -0.602 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 400 9.998 1.394 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.343 0.336 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.009 1.826 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 400 7.940 1.505 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.865 1.940 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.787 0.524 3.742 1.00 0.00 H new ATOM 533 N LYS A 401 12.772 -0.748 3.783 1.00 0.00 N ATOM 534 CA LYS A 401 13.974 -1.458 4.202 1.00 0.00 C ATOM 535 C LYS A 401 14.641 -0.750 5.378 1.00 0.00 C ATOM 536 O LYS A 401 15.249 0.308 5.214 1.00 0.00 O ATOM 537 CB LYS A 401 14.959 -1.569 3.036 1.00 0.00 C ATOM 538 CG LYS A 401 16.335 -2.063 3.446 1.00 0.00 C ATOM 539 CD LYS A 401 16.338 -3.561 3.699 1.00 0.00 C ATOM 540 CE LYS A 401 17.644 -4.017 4.332 1.00 0.00 C ATOM 541 NZ LYS A 401 17.647 -5.481 4.603 1.00 0.00 N ATOM 0 H LYS A 401 12.949 0.088 3.226 1.00 0.00 H new ATOM 0 HA LYS A 401 13.682 -2.459 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.548 -2.246 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.059 -0.593 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 401 17.056 -1.824 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.656 -1.540 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.505 -3.822 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.184 -4.090 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.474 -3.768 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 401 17.805 -3.475 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.553 -5.889 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 17.520 -5.646 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 16.870 -5.932 4.080 1.00 0.00 H new ATOM 555 N TRP A 402 14.525 -1.342 6.561 1.00 0.00 N ATOM 556 CA TRP A 402 15.119 -0.769 7.764 1.00 0.00 C ATOM 557 C TRP A 402 16.049 -1.768 8.441 1.00 0.00 C ATOM 558 O TRP A 402 15.603 -2.629 9.201 1.00 0.00 O ATOM 559 CB TRP A 402 14.024 -0.330 8.738 1.00 0.00 C ATOM 560 CG TRP A 402 12.857 -1.269 8.782 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.870 -2.606 8.504 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.505 -0.941 9.120 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.607 -3.129 8.651 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.752 -2.128 9.029 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.858 0.240 9.494 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.386 -2.165 9.296 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.502 0.201 9.759 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.778 -0.995 9.660 1.00 0.00 C ATOM 0 H TRP A 402 14.025 -2.218 6.713 1.00 0.00 H new ATOM 0 HA TRP A 402 15.705 0.102 7.471 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.450 -0.244 9.738 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.672 0.662 8.455 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.744 -3.170 8.212 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.349 -4.104 8.503 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.408 1.166 9.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.826 -3.085 9.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.991 1.108 10.047 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.720 -0.993 9.875 1.00 0.00 H new ATOM 579 N CYS A 403 17.343 -1.649 8.162 1.00 0.00 N ATOM 580 CA CYS A 403 18.336 -2.544 8.745 1.00 0.00 C ATOM 581 C CYS A 403 17.994 -2.865 10.197 1.00 0.00 C ATOM 582 O CYS A 403 17.949 -4.030 10.591 1.00 0.00 O ATOM 583 CB CYS A 403 19.728 -1.916 8.664 1.00 0.00 C ATOM 584 SG CYS A 403 21.076 -3.118 8.567 1.00 0.00 S ATOM 0 H CYS A 403 17.728 -0.942 7.536 1.00 0.00 H new ATOM 0 HA CYS A 403 18.330 -3.473 8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.771 -1.266 7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.881 -1.284 9.539 1.00 0.00 H new ATOM 0 HG CYS A 403 22.213 -2.491 8.500 1.00 0.00 H new ATOM 590 N SER A 404 17.754 -1.823 10.987 1.00 0.00 N ATOM 591 CA SER A 404 17.421 -1.994 12.396 1.00 0.00 C ATOM 592 C SER A 404 16.623 -3.276 12.615 1.00 0.00 C ATOM 593 O SER A 404 16.877 -4.026 13.558 1.00 0.00 O ATOM 594 CB SER A 404 16.624 -0.791 12.903 1.00 0.00 C ATOM 595 OG SER A 404 16.814 -0.603 14.295 1.00 0.00 O ATOM 0 H SER A 404 17.784 -0.852 10.675 1.00 0.00 H new ATOM 0 HA SER A 404 18.353 -2.067 12.957 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.933 0.106 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.564 -0.939 12.694 1.00 0.00 H new ATOM 0 HG SER A 404 16.082 -0.059 14.655 1.00 0.00 H new ATOM 601 N LEU A 405 15.657 -3.520 11.736 1.00 0.00 N ATOM 602 CA LEU A 405 14.820 -4.711 11.832 1.00 0.00 C ATOM 603 C LEU A 405 15.374 -5.837 10.965 1.00 0.00 C ATOM 604 O LEU A 405 16.124 -5.610 10.014 1.00 0.00 O ATOM 605 CB LEU A 405 13.386 -4.386 11.409 1.00 0.00 C ATOM 606 CG LEU A 405 12.514 -3.703 12.463 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.307 -3.046 11.813 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.074 -4.704 13.521 1.00 0.00 C ATOM 0 H LEU A 405 15.434 -2.910 10.950 1.00 0.00 H new ATOM 0 HA LEU A 405 14.820 -5.042 12.870 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.425 -3.746 10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.898 -5.313 11.108 1.00 0.00 H new ATOM 0 HG LEU A 405 13.106 -2.927 12.949 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.698 -2.565 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.643 -2.299 11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.713 -3.802 11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.454 -4.200 14.263 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.500 -5.502 13.050 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.952 -5.127 14.009 1.00 0.00 H new ATOM 620 N PRO A 406 14.997 -7.081 11.297 1.00 0.00 N ATOM 621 CA PRO A 406 15.443 -8.266 10.559 1.00 0.00 C ATOM 622 C PRO A 406 14.829 -8.347 9.166 1.00 0.00 C ATOM 623 O PRO A 406 13.609 -8.307 9.011 1.00 0.00 O ATOM 624 CB PRO A 406 14.953 -9.428 11.427 1.00 0.00 C ATOM 625 CG PRO A 406 13.793 -8.876 12.180 1.00 0.00 C ATOM 626 CD PRO A 406 14.106 -7.425 12.417 1.00 0.00 C ATOM 0 HA PRO A 406 16.521 -8.262 10.395 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.658 -10.281 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.735 -9.774 12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.870 -8.988 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.653 -9.404 13.123 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.204 -6.814 12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.593 -7.271 13.380 1.00 0.00 H new ATOM 634 N TYR A 407 15.683 -8.461 8.154 1.00 0.00 N ATOM 635 CA TYR A 407 15.224 -8.546 6.773 1.00 0.00 C ATOM 636 C TYR A 407 14.040 -9.499 6.649 1.00 0.00 C ATOM 637 O TYR A 407 12.988 -9.135 6.124 1.00 0.00 O ATOM 638 CB TYR A 407 16.363 -9.009 5.863 1.00 0.00 C ATOM 639 CG TYR A 407 15.977 -9.090 4.403 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.478 -7.979 3.734 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.111 -10.277 3.694 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.123 -8.049 2.400 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.760 -10.355 2.360 1.00 0.00 C ATOM 644 CZ TYR A 407 15.266 -9.239 1.718 1.00 0.00 C ATOM 645 OH TYR A 407 14.914 -9.313 0.390 1.00 0.00 O ATOM 0 H TYR A 407 16.696 -8.497 8.265 1.00 0.00 H new ATOM 0 HA TYR A 407 14.900 -7.552 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.204 -8.324 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.706 -9.989 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.366 -7.045 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.496 -11.154 4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 407 14.736 -7.177 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.872 -11.285 1.823 1.00 0.00 H new ATOM 0 HH TYR A 407 15.077 -10.221 0.058 1.00 0.00 H new ATOM 655 N GLU A 408 14.220 -10.722 7.138 1.00 0.00 N ATOM 656 CA GLU A 408 13.167 -11.729 7.082 1.00 0.00 C ATOM 657 C GLU A 408 11.799 -11.100 7.331 1.00 0.00 C ATOM 658 O GLU A 408 10.788 -11.559 6.801 1.00 0.00 O ATOM 659 CB GLU A 408 13.428 -12.830 8.112 1.00 0.00 C ATOM 660 CG GLU A 408 13.565 -12.314 9.534 1.00 0.00 C ATOM 661 CD GLU A 408 13.375 -13.404 10.571 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.087 -14.427 10.493 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.515 -13.234 11.460 1.00 0.00 O ATOM 0 H GLU A 408 15.084 -11.039 7.577 1.00 0.00 H new ATOM 0 HA GLU A 408 13.171 -12.166 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 408 12.612 -13.552 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 408 14.339 -13.363 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.550 -11.865 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.832 -11.525 9.703 1.00 0.00 H new ATOM 670 N GLU A 409 11.777 -10.046 8.141 1.00 0.00 N ATOM 671 CA GLU A 409 10.534 -9.355 8.461 1.00 0.00 C ATOM 672 C GLU A 409 10.322 -8.159 7.536 1.00 0.00 C ATOM 673 O GLU A 409 9.836 -7.111 7.960 1.00 0.00 O ATOM 674 CB GLU A 409 10.543 -8.890 9.919 1.00 0.00 C ATOM 675 CG GLU A 409 10.096 -9.959 10.901 1.00 0.00 C ATOM 676 CD GLU A 409 8.593 -10.159 10.902 1.00 0.00 C ATOM 677 OE1 GLU A 409 7.980 -10.057 9.820 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.031 -10.419 11.987 1.00 0.00 O ATOM 0 H GLU A 409 12.606 -9.652 8.587 1.00 0.00 H new ATOM 0 HA GLU A 409 9.712 -10.056 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.550 -8.565 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.892 -8.022 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.584 -10.902 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.423 -9.685 11.904 1.00 0.00 H new ATOM 685 N SER A 410 10.692 -8.326 6.270 1.00 0.00 N ATOM 686 CA SER A 410 10.547 -7.260 5.285 1.00 0.00 C ATOM 687 C SER A 410 9.075 -6.972 5.008 1.00 0.00 C ATOM 688 O SER A 410 8.396 -7.744 4.331 1.00 0.00 O ATOM 689 CB SER A 410 11.258 -7.638 3.985 1.00 0.00 C ATOM 690 OG SER A 410 10.762 -8.862 3.470 1.00 0.00 O ATOM 0 H SER A 410 11.094 -9.188 5.903 1.00 0.00 H new ATOM 0 HA SER A 410 11.005 -6.358 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.120 -6.847 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.330 -7.723 4.164 1.00 0.00 H new ATOM 0 HG SER A 410 9.795 -8.911 3.618 1.00 0.00 H new ATOM 696 N THR A 411 8.587 -5.855 5.538 1.00 0.00 N ATOM 697 CA THR A 411 7.195 -5.464 5.350 1.00 0.00 C ATOM 698 C THR A 411 7.074 -4.335 4.333 1.00 0.00 C ATOM 699 O THR A 411 8.069 -3.713 3.961 1.00 0.00 O ATOM 700 CB THR A 411 6.553 -5.017 6.676 1.00 0.00 C ATOM 701 OG1 THR A 411 5.167 -4.717 6.473 1.00 0.00 O ATOM 702 CG2 THR A 411 7.264 -3.794 7.236 1.00 0.00 C ATOM 0 H THR A 411 9.135 -5.205 6.101 1.00 0.00 H new ATOM 0 HA THR A 411 6.667 -6.342 4.978 1.00 0.00 H new ATOM 0 HB THR A 411 6.647 -5.833 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.766 -4.435 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.793 -3.497 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.312 -4.033 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.197 -2.975 6.520 1.00 0.00 H new ATOM 710 N TRP A 412 5.850 -4.076 3.888 1.00 0.00 N ATOM 711 CA TRP A 412 5.599 -3.020 2.913 1.00 0.00 C ATOM 712 C TRP A 412 4.675 -1.954 3.492 1.00 0.00 C ATOM 713 O TRP A 412 3.452 -2.074 3.417 1.00 0.00 O ATOM 714 CB TRP A 412 4.987 -3.607 1.640 1.00 0.00 C ATOM 715 CG TRP A 412 5.837 -4.666 1.006 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.196 -5.865 1.553 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.436 -4.619 -0.293 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.983 -6.567 0.671 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.144 -5.825 -0.469 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.442 -3.679 -1.326 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.849 -6.110 -1.635 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.143 -3.963 -2.483 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.838 -5.171 -2.630 1.00 0.00 C ATOM 0 H TRP A 412 5.016 -4.582 4.186 1.00 0.00 H new ATOM 0 HA TRP A 412 6.553 -2.553 2.666 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.010 -4.029 1.876 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.823 -2.804 0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.905 -6.211 2.534 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.382 -7.491 0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.908 -2.746 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.386 -7.040 -1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.155 -3.242 -3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.375 -5.365 -3.547 1.00 0.00 H new ATOM 734 N GLU A 413 5.267 -0.912 4.067 1.00 0.00 N ATOM 735 CA GLU A 413 4.494 0.174 4.658 1.00 0.00 C ATOM 736 C GLU A 413 3.666 0.894 3.597 1.00 0.00 C ATOM 737 O GLU A 413 4.048 0.949 2.428 1.00 0.00 O ATOM 738 CB GLU A 413 5.423 1.169 5.357 1.00 0.00 C ATOM 739 CG GLU A 413 6.231 0.556 6.489 1.00 0.00 C ATOM 740 CD GLU A 413 6.653 1.579 7.525 1.00 0.00 C ATOM 741 OE1 GLU A 413 7.508 2.431 7.205 1.00 0.00 O ATOM 742 OE2 GLU A 413 6.127 1.528 8.657 1.00 0.00 O ATOM 0 H GLU A 413 6.278 -0.797 4.136 1.00 0.00 H new ATOM 0 HA GLU A 413 3.815 -0.257 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.107 1.593 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.828 1.993 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.640 -0.222 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.118 0.074 6.078 1.00 0.00 H new ATOM 749 N LEU A 414 2.531 1.443 4.014 1.00 0.00 N ATOM 750 CA LEU A 414 1.647 2.159 3.100 1.00 0.00 C ATOM 751 C LEU A 414 2.313 3.432 2.584 1.00 0.00 C ATOM 752 O LEU A 414 3.315 3.886 3.135 1.00 0.00 O ATOM 753 CB LEU A 414 0.331 2.505 3.798 1.00 0.00 C ATOM 754 CG LEU A 414 -0.319 1.378 4.601 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.403 1.929 5.514 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.893 0.321 3.668 1.00 0.00 C ATOM 0 H LEU A 414 2.201 1.406 4.978 1.00 0.00 H new ATOM 0 HA LEU A 414 1.440 1.509 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.509 3.346 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.379 2.843 3.044 1.00 0.00 H new ATOM 0 HG LEU A 414 0.447 0.911 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.854 1.112 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -0.965 2.648 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.168 2.422 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.352 -0.473 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.645 0.775 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.094 -0.096 3.056 1.00 0.00 H new ATOM 768 N GLU A 415 1.746 4.002 1.526 1.00 0.00 N ATOM 769 CA GLU A 415 2.284 5.223 0.938 1.00 0.00 C ATOM 770 C GLU A 415 2.361 6.339 1.976 1.00 0.00 C ATOM 771 O GLU A 415 3.308 7.125 1.988 1.00 0.00 O ATOM 772 CB GLU A 415 1.421 5.670 -0.244 1.00 0.00 C ATOM 773 CG GLU A 415 2.052 6.775 -1.075 1.00 0.00 C ATOM 774 CD GLU A 415 1.504 6.827 -2.488 1.00 0.00 C ATOM 775 OE1 GLU A 415 0.265 6.810 -2.645 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.314 6.886 -3.436 1.00 0.00 O ATOM 0 H GLU A 415 0.915 3.639 1.059 1.00 0.00 H new ATOM 0 HA GLU A 415 3.292 5.010 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.226 4.811 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 415 0.457 6.014 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 415 1.880 7.735 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.131 6.625 -1.113 1.00 0.00 H new ATOM 783 N GLU A 416 1.358 6.401 2.846 1.00 0.00 N ATOM 784 CA GLU A 416 1.311 7.421 3.887 1.00 0.00 C ATOM 785 C GLU A 416 2.146 7.004 5.094 1.00 0.00 C ATOM 786 O GLU A 416 2.489 7.830 5.940 1.00 0.00 O ATOM 787 CB GLU A 416 -0.135 7.677 4.316 1.00 0.00 C ATOM 788 CG GLU A 416 -0.871 6.423 4.754 1.00 0.00 C ATOM 789 CD GLU A 416 -1.599 5.744 3.610 1.00 0.00 C ATOM 790 OE1 GLU A 416 -0.966 4.933 2.902 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.802 6.023 3.424 1.00 0.00 O ATOM 0 H GLU A 416 0.567 5.757 2.851 1.00 0.00 H new ATOM 0 HA GLU A 416 1.729 8.341 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.140 8.396 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.675 8.134 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.160 5.724 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.588 6.681 5.534 1.00 0.00 H new ATOM 798 N ASP A 417 2.468 5.717 5.168 1.00 0.00 N ATOM 799 CA ASP A 417 3.262 5.190 6.271 1.00 0.00 C ATOM 800 C ASP A 417 4.738 5.118 5.892 1.00 0.00 C ATOM 801 O ASP A 417 5.505 4.355 6.480 1.00 0.00 O ATOM 802 CB ASP A 417 2.758 3.803 6.673 1.00 0.00 C ATOM 803 CG ASP A 417 3.154 3.431 8.088 1.00 0.00 C ATOM 804 OD1 ASP A 417 2.699 4.113 9.031 1.00 0.00 O ATOM 805 OD2 ASP A 417 3.917 2.457 8.254 1.00 0.00 O ATOM 0 H ASP A 417 2.191 5.020 4.477 1.00 0.00 H new ATOM 0 HA ASP A 417 3.155 5.867 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.672 3.774 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.155 3.061 5.981 1.00 0.00 H new ATOM 810 N VAL A 418 5.130 5.918 4.905 1.00 0.00 N ATOM 811 CA VAL A 418 6.514 5.945 4.447 1.00 0.00 C ATOM 812 C VAL A 418 6.985 7.375 4.207 1.00 0.00 C ATOM 813 O VAL A 418 6.298 8.165 3.559 1.00 0.00 O ATOM 814 CB VAL A 418 6.693 5.132 3.151 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.115 5.267 2.628 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.338 3.672 3.385 1.00 0.00 C ATOM 0 H VAL A 418 4.509 6.556 4.407 1.00 0.00 H new ATOM 0 HA VAL A 418 7.117 5.494 5.235 1.00 0.00 H new ATOM 0 HB VAL A 418 6.015 5.530 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.223 4.686 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.328 6.315 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.815 4.896 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.470 3.112 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 418 6.989 3.258 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.300 3.597 3.709 1.00 0.00 H new ATOM 826 N ASP A 419 8.161 7.701 4.732 1.00 0.00 N ATOM 827 CA ASP A 419 8.726 9.036 4.573 1.00 0.00 C ATOM 828 C ASP A 419 8.692 9.470 3.111 1.00 0.00 C ATOM 829 O ASP A 419 8.945 8.683 2.198 1.00 0.00 O ATOM 830 CB ASP A 419 10.163 9.070 5.095 1.00 0.00 C ATOM 831 CG ASP A 419 10.729 10.476 5.139 1.00 0.00 C ATOM 832 OD1 ASP A 419 11.241 10.943 4.100 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.660 11.109 6.213 1.00 0.00 O ATOM 0 H ASP A 419 8.742 7.059 5.271 1.00 0.00 H new ATOM 0 HA ASP A 419 8.120 9.732 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.194 8.637 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.793 8.448 4.459 1.00 0.00 H new ATOM 838 N PRO A 420 8.371 10.752 2.881 1.00 0.00 N ATOM 839 CA PRO A 420 8.295 11.319 1.531 1.00 0.00 C ATOM 840 C PRO A 420 9.667 11.443 0.877 1.00 0.00 C ATOM 841 O PRO A 420 9.863 11.021 -0.262 1.00 0.00 O ATOM 842 CB PRO A 420 7.685 12.704 1.762 1.00 0.00 C ATOM 843 CG PRO A 420 8.045 13.047 3.167 1.00 0.00 C ATOM 844 CD PRO A 420 8.057 11.746 3.921 1.00 0.00 C ATOM 0 HA PRO A 420 7.714 10.690 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 420 8.087 13.435 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.604 12.689 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 420 9.019 13.533 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 420 7.322 13.740 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.805 11.748 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 420 7.094 11.545 4.391 1.00 0.00 H new ATOM 852 N ALA A 421 10.614 12.025 1.606 1.00 0.00 N ATOM 853 CA ALA A 421 11.968 12.203 1.097 1.00 0.00 C ATOM 854 C ALA A 421 12.539 10.885 0.584 1.00 0.00 C ATOM 855 O ALA A 421 13.080 10.818 -0.520 1.00 0.00 O ATOM 856 CB ALA A 421 12.867 12.784 2.178 1.00 0.00 C ATOM 0 H ALA A 421 10.468 12.381 2.551 1.00 0.00 H new ATOM 0 HA ALA A 421 11.926 12.901 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.875 12.911 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.477 13.751 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.894 12.106 3.031 1.00 0.00 H new ATOM 862 N LYS A 422 12.416 9.838 1.392 1.00 0.00 N ATOM 863 CA LYS A 422 12.919 8.520 1.021 1.00 0.00 C ATOM 864 C LYS A 422 12.366 8.089 -0.334 1.00 0.00 C ATOM 865 O LYS A 422 13.109 7.627 -1.200 1.00 0.00 O ATOM 866 CB LYS A 422 12.544 7.490 2.088 1.00 0.00 C ATOM 867 CG LYS A 422 13.038 7.847 3.479 1.00 0.00 C ATOM 868 CD LYS A 422 14.555 7.812 3.558 1.00 0.00 C ATOM 869 CE LYS A 422 15.080 6.384 3.568 1.00 0.00 C ATOM 870 NZ LYS A 422 16.552 6.332 3.346 1.00 0.00 N ATOM 0 H LYS A 422 11.972 9.876 2.309 1.00 0.00 H new ATOM 0 HA LYS A 422 14.005 8.580 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.459 7.384 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.953 6.520 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.682 8.841 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.619 7.150 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.977 8.350 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.885 8.329 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 422 14.840 5.916 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.575 5.806 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.945 5.494 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 16.747 6.276 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 16.992 7.190 3.736 1.00 0.00 H new ATOM 884 N VAL A 423 11.058 8.244 -0.511 1.00 0.00 N ATOM 885 CA VAL A 423 10.406 7.873 -1.762 1.00 0.00 C ATOM 886 C VAL A 423 10.960 8.681 -2.930 1.00 0.00 C ATOM 887 O VAL A 423 11.286 8.129 -3.982 1.00 0.00 O ATOM 888 CB VAL A 423 8.882 8.083 -1.684 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.225 7.719 -3.007 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.290 7.268 -0.543 1.00 0.00 C ATOM 0 H VAL A 423 10.429 8.624 0.196 1.00 0.00 H new ATOM 0 HA VAL A 423 10.612 6.815 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 423 8.687 9.137 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.149 7.874 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.629 8.349 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.426 6.673 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.213 7.428 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.494 6.210 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.739 7.581 0.399 1.00 0.00 H new ATOM 900 N LYS A 424 11.065 9.991 -2.740 1.00 0.00 N ATOM 901 CA LYS A 424 11.581 10.877 -3.777 1.00 0.00 C ATOM 902 C LYS A 424 12.938 10.393 -4.279 1.00 0.00 C ATOM 903 O LYS A 424 13.189 10.364 -5.484 1.00 0.00 O ATOM 904 CB LYS A 424 11.703 12.305 -3.242 1.00 0.00 C ATOM 905 CG LYS A 424 11.652 13.367 -4.327 1.00 0.00 C ATOM 906 CD LYS A 424 11.334 14.737 -3.752 1.00 0.00 C ATOM 907 CE LYS A 424 9.834 14.950 -3.616 1.00 0.00 C ATOM 908 NZ LYS A 424 9.516 16.147 -2.789 1.00 0.00 N ATOM 0 H LYS A 424 10.799 10.464 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 424 10.880 10.867 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.899 12.487 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.641 12.400 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 424 12.609 13.403 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.897 13.097 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 424 11.807 14.842 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 424 11.755 15.509 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 424 9.392 15.065 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 424 9.381 14.067 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 8.484 16.257 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 9.915 16.027 -1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 9.926 16.994 -3.232 1.00 0.00 H new ATOM 922 N GLU A 425 13.807 10.013 -3.349 1.00 0.00 N ATOM 923 CA GLU A 425 15.138 9.530 -3.699 1.00 0.00 C ATOM 924 C GLU A 425 15.051 8.303 -4.602 1.00 0.00 C ATOM 925 O GLU A 425 15.771 8.196 -5.595 1.00 0.00 O ATOM 926 CB GLU A 425 15.931 9.191 -2.435 1.00 0.00 C ATOM 927 CG GLU A 425 17.430 9.091 -2.666 1.00 0.00 C ATOM 928 CD GLU A 425 18.032 10.392 -3.161 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.557 11.465 -2.733 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.977 10.337 -3.975 1.00 0.00 O ATOM 0 H GLU A 425 13.614 10.030 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 425 15.653 10.323 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.738 9.953 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.570 8.245 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.918 8.800 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.630 8.303 -3.392 1.00 0.00 H new ATOM 937 N PHE A 426 14.164 7.378 -4.250 1.00 0.00 N ATOM 938 CA PHE A 426 13.982 6.157 -5.027 1.00 0.00 C ATOM 939 C PHE A 426 13.518 6.479 -6.444 1.00 0.00 C ATOM 940 O PHE A 426 14.190 6.143 -7.419 1.00 0.00 O ATOM 941 CB PHE A 426 12.969 5.238 -4.342 1.00 0.00 C ATOM 942 CG PHE A 426 12.583 4.048 -5.173 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.494 3.034 -5.422 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.308 3.943 -5.706 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.142 1.938 -6.186 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.950 2.849 -6.470 1.00 0.00 C ATOM 947 CZ PHE A 426 11.868 1.845 -6.712 1.00 0.00 C ATOM 0 H PHE A 426 13.560 7.451 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 426 14.943 5.646 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.386 4.891 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.073 5.811 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.492 3.101 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.586 4.725 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.862 1.155 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.953 2.779 -6.878 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.590 0.990 -7.311 1.00 0.00 H new ATOM 957 N GLU A 427 12.364 7.130 -6.549 1.00 0.00 N ATOM 958 CA GLU A 427 11.809 7.495 -7.847 1.00 0.00 C ATOM 959 C GLU A 427 12.893 8.056 -8.764 1.00 0.00 C ATOM 960 O GLU A 427 13.059 7.603 -9.896 1.00 0.00 O ATOM 961 CB GLU A 427 10.688 8.523 -7.677 1.00 0.00 C ATOM 962 CG GLU A 427 9.375 7.919 -7.208 1.00 0.00 C ATOM 963 CD GLU A 427 8.171 8.736 -7.634 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.265 9.981 -7.624 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.135 8.130 -7.978 1.00 0.00 O ATOM 0 H GLU A 427 11.796 7.415 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 427 11.400 6.594 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.006 9.280 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.525 9.032 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.282 6.908 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.386 7.835 -6.121 1.00 0.00 H new ATOM 972 N SER A 428 13.627 9.046 -8.266 1.00 0.00 N ATOM 973 CA SER A 428 14.692 9.673 -9.041 1.00 0.00 C ATOM 974 C SER A 428 15.443 8.635 -9.870 1.00 0.00 C ATOM 975 O SER A 428 15.496 8.725 -11.097 1.00 0.00 O ATOM 976 CB SER A 428 15.665 10.402 -8.113 1.00 0.00 C ATOM 977 OG SER A 428 16.846 10.774 -8.803 1.00 0.00 O ATOM 0 H SER A 428 13.504 9.431 -7.330 1.00 0.00 H new ATOM 0 HA SER A 428 14.238 10.395 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.185 11.290 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.920 9.759 -7.270 1.00 0.00 H new ATOM 0 HG SER A 428 17.451 11.240 -8.189 1.00 0.00 H new ATOM 983 N LEU A 429 16.022 7.651 -9.191 1.00 0.00 N ATOM 984 CA LEU A 429 16.771 6.595 -9.864 1.00 0.00 C ATOM 985 C LEU A 429 16.093 6.195 -11.170 1.00 0.00 C ATOM 986 O LEU A 429 16.747 6.069 -12.206 1.00 0.00 O ATOM 987 CB LEU A 429 16.903 5.376 -8.950 1.00 0.00 C ATOM 988 CG LEU A 429 18.075 5.397 -7.968 1.00 0.00 C ATOM 989 CD1 LEU A 429 17.792 4.491 -6.780 1.00 0.00 C ATOM 990 CD2 LEU A 429 19.362 4.980 -8.665 1.00 0.00 C ATOM 0 H LEU A 429 15.987 7.562 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 429 17.765 6.978 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 429 15.980 5.272 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 429 16.994 4.487 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 429 18.198 6.416 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 429 18.637 4.519 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 429 16.894 4.835 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.642 3.469 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 429 20.186 5.001 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 429 19.251 3.971 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 429 19.573 5.670 -9.482 1.00 0.00 H new ATOM 1002 N GLN A 430 14.780 5.998 -11.114 1.00 0.00 N ATOM 1003 CA GLN A 430 14.014 5.613 -12.294 1.00 0.00 C ATOM 1004 C GLN A 430 13.008 6.697 -12.667 1.00 0.00 C ATOM 1005 O GLN A 430 11.815 6.574 -12.386 1.00 0.00 O ATOM 1006 CB GLN A 430 13.289 4.289 -12.048 1.00 0.00 C ATOM 1007 CG GLN A 430 12.606 4.213 -10.692 1.00 0.00 C ATOM 1008 CD GLN A 430 13.554 3.801 -9.583 1.00 0.00 C ATOM 1009 OE1 GLN A 430 14.656 3.316 -9.841 1.00 0.00 O ATOM 1010 NE2 GLN A 430 13.130 3.992 -8.339 1.00 0.00 N ATOM 0 H GLN A 430 14.224 6.099 -10.265 1.00 0.00 H new ATOM 0 HA GLN A 430 14.710 5.488 -13.124 1.00 0.00 H new ATOM 0 HB2 GLN A 430 12.544 4.141 -12.830 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.005 3.471 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 430 12.173 5.184 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.782 3.501 -10.744 1.00 0.00 H new ATOM 0 HE21 GLN A 430 12.209 4.397 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 430 13.725 3.734 -7.552 1.00 0.00 H new ATOM 1019 N VAL A 431 13.496 7.758 -13.301 1.00 0.00 N ATOM 1020 CA VAL A 431 12.639 8.863 -13.713 1.00 0.00 C ATOM 1021 C VAL A 431 11.779 8.475 -14.910 1.00 0.00 C ATOM 1022 O VAL A 431 12.282 7.956 -15.906 1.00 0.00 O ATOM 1023 CB VAL A 431 13.467 10.112 -14.073 1.00 0.00 C ATOM 1024 CG1 VAL A 431 14.001 10.779 -12.814 1.00 0.00 C ATOM 1025 CG2 VAL A 431 14.603 9.743 -15.014 1.00 0.00 C ATOM 0 H VAL A 431 14.480 7.876 -13.541 1.00 0.00 H new ATOM 0 HA VAL A 431 11.994 9.096 -12.866 1.00 0.00 H new ATOM 0 HB VAL A 431 12.818 10.823 -14.585 1.00 0.00 H new ATOM 0 HG11 VAL A 431 14.583 11.659 -13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 431 13.167 11.078 -12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 431 14.636 10.078 -12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 431 15.178 10.636 -15.258 1.00 0.00 H new ATOM 0 HG22 VAL A 431 15.253 9.014 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 431 14.193 9.314 -15.928 1.00 0.00 H new TER 1035 VAL A 431