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 385 HIS : no HD1:sc= -0.516 X(o=-0.24,f=0.19) USER MOD Set 1.2: A 396 THR OG1 : rot 70:sc= 0.276 USER MOD Set 2.1: A 386 THR OG1 : rot 122:sc= 0.232 USER MOD Set 2.2: A 397 HIS : no HD1:sc= 0.108 K(o=0.34,f=-0.44) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 ASN :FLIP amide:sc= -0.102 F(o=-0.63,f=-0.1) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 156:sc= -0.0892 (180deg=-0.845) USER MOD Single : A 391 THR OG1 : rot -170:sc= -0.212 USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 140:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 36:sc= 0.259 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 422 LYS NZ :NH3+ 167:sc=-0.00213 (180deg=-0.0996) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 430 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -0.414 8.140 19.921 1.00 0.00 N ATOM 2 CA GLY A 364 0.947 8.041 20.416 1.00 0.00 C ATOM 3 C GLY A 364 1.005 7.630 21.873 1.00 0.00 C ATOM 4 O GLY A 364 0.048 7.831 22.621 1.00 0.00 O ATOM 0 HA2 GLY A 364 1.497 7.317 19.815 1.00 0.00 H new ATOM 0 HA3 GLY A 364 1.446 9.002 20.293 1.00 0.00 H new ATOM 8 N SER A 365 2.130 7.050 22.278 1.00 0.00 N ATOM 9 CA SER A 365 2.308 6.603 23.655 1.00 0.00 C ATOM 10 C SER A 365 2.524 7.791 24.587 1.00 0.00 C ATOM 11 O SER A 365 3.164 8.776 24.218 1.00 0.00 O ATOM 12 CB SER A 365 3.493 5.641 23.752 1.00 0.00 C ATOM 13 OG SER A 365 4.723 6.329 23.601 1.00 0.00 O ATOM 0 H SER A 365 2.932 6.878 21.672 1.00 0.00 H new ATOM 0 HA SER A 365 1.401 6.082 23.963 1.00 0.00 H new ATOM 0 HB2 SER A 365 3.474 5.132 24.715 1.00 0.00 H new ATOM 0 HB3 SER A 365 3.406 4.873 22.983 1.00 0.00 H new ATOM 0 HG SER A 365 5.465 5.692 23.669 1.00 0.00 H new ATOM 19 N SER A 366 1.986 7.690 25.799 1.00 0.00 N ATOM 20 CA SER A 366 2.117 8.757 26.784 1.00 0.00 C ATOM 21 C SER A 366 3.585 9.038 27.090 1.00 0.00 C ATOM 22 O SER A 366 4.014 10.190 27.125 1.00 0.00 O ATOM 23 CB SER A 366 1.378 8.384 28.071 1.00 0.00 C ATOM 24 OG SER A 366 1.257 9.503 28.932 1.00 0.00 O ATOM 0 H SER A 366 1.456 6.881 26.122 1.00 0.00 H new ATOM 0 HA SER A 366 1.672 9.660 26.366 1.00 0.00 H new ATOM 0 HB2 SER A 366 0.387 8.000 27.827 1.00 0.00 H new ATOM 0 HB3 SER A 366 1.913 7.584 28.582 1.00 0.00 H new ATOM 0 HG SER A 366 0.780 9.239 29.746 1.00 0.00 H new ATOM 30 N GLY A 367 4.351 7.974 27.311 1.00 0.00 N ATOM 31 CA GLY A 367 5.763 8.126 27.611 1.00 0.00 C ATOM 32 C GLY A 367 6.339 6.914 28.316 1.00 0.00 C ATOM 33 O GLY A 367 6.522 6.924 29.533 1.00 0.00 O ATOM 0 H GLY A 367 4.019 7.010 27.288 1.00 0.00 H new ATOM 0 HA2 GLY A 367 6.312 8.299 26.685 1.00 0.00 H new ATOM 0 HA3 GLY A 367 5.906 9.008 28.235 1.00 0.00 H new ATOM 37 N SER A 368 6.625 5.866 27.550 1.00 0.00 N ATOM 38 CA SER A 368 7.179 4.639 28.110 1.00 0.00 C ATOM 39 C SER A 368 8.534 4.320 27.485 1.00 0.00 C ATOM 40 O SER A 368 8.674 4.288 26.262 1.00 0.00 O ATOM 41 CB SER A 368 6.215 3.472 27.888 1.00 0.00 C ATOM 42 OG SER A 368 6.487 2.408 28.784 1.00 0.00 O ATOM 0 H SER A 368 6.482 5.842 26.540 1.00 0.00 H new ATOM 0 HA SER A 368 7.318 4.788 29.181 1.00 0.00 H new ATOM 0 HB2 SER A 368 5.189 3.813 28.024 1.00 0.00 H new ATOM 0 HB3 SER A 368 6.299 3.117 26.861 1.00 0.00 H new ATOM 0 HG SER A 368 5.856 1.675 28.623 1.00 0.00 H new ATOM 48 N SER A 369 9.529 4.084 28.334 1.00 0.00 N ATOM 49 CA SER A 369 10.874 3.771 27.866 1.00 0.00 C ATOM 50 C SER A 369 10.826 2.917 26.603 1.00 0.00 C ATOM 51 O SER A 369 9.923 2.100 26.427 1.00 0.00 O ATOM 52 CB SER A 369 11.660 3.043 28.958 1.00 0.00 C ATOM 53 OG SER A 369 12.863 2.499 28.444 1.00 0.00 O ATOM 0 H SER A 369 9.429 4.104 29.349 1.00 0.00 H new ATOM 0 HA SER A 369 11.377 4.709 27.630 1.00 0.00 H new ATOM 0 HB2 SER A 369 11.887 3.735 29.769 1.00 0.00 H new ATOM 0 HB3 SER A 369 11.048 2.246 29.381 1.00 0.00 H new ATOM 0 HG SER A 369 13.348 2.041 29.162 1.00 0.00 H new ATOM 59 N GLY A 370 11.805 3.114 25.725 1.00 0.00 N ATOM 60 CA GLY A 370 11.856 2.356 24.489 1.00 0.00 C ATOM 61 C GLY A 370 10.805 2.801 23.492 1.00 0.00 C ATOM 62 O GLY A 370 9.608 2.737 23.771 1.00 0.00 O ATOM 0 H GLY A 370 12.563 3.785 25.848 1.00 0.00 H new ATOM 0 HA2 GLY A 370 12.844 2.462 24.042 1.00 0.00 H new ATOM 0 HA3 GLY A 370 11.718 1.298 24.710 1.00 0.00 H new ATOM 66 N ASN A 371 11.252 3.254 22.325 1.00 0.00 N ATOM 67 CA ASN A 371 10.340 3.714 21.284 1.00 0.00 C ATOM 68 C ASN A 371 9.389 2.598 20.862 1.00 0.00 C ATOM 69 O ASN A 371 9.741 1.419 20.852 1.00 0.00 O ATOM 70 CB ASN A 371 11.129 4.212 20.071 1.00 0.00 C ATOM 71 CG ASN A 371 12.255 5.150 20.459 1.00 0.00 C ATOM 72 OD1 ASN A 371 13.445 4.595 20.658 1.00 0.00 O flip ATOM 73 ND2 ASN A 371 12.058 6.360 20.578 1.00 0.00 N flip ATOM 0 H ASN A 371 12.240 3.312 22.077 1.00 0.00 H new ATOM 0 HA ASN A 371 9.750 4.536 21.689 1.00 0.00 H new ATOM 0 HB2 ASN A 371 11.540 3.358 19.533 1.00 0.00 H new ATOM 0 HB3 ASN A 371 10.453 4.724 19.387 1.00 0.00 H new ATOM 0 HD21 ASN A 371 11.127 6.744 20.415 1.00 0.00 H new ATOM 0 HD22 ASN A 371 12.826 6.978 20.839 1.00 0.00 H new ATOM 80 N PRO A 372 8.153 2.979 20.505 1.00 0.00 N ATOM 81 CA PRO A 372 7.125 2.026 20.075 1.00 0.00 C ATOM 82 C PRO A 372 7.436 1.413 18.713 1.00 0.00 C ATOM 83 O PRO A 372 6.787 0.457 18.290 1.00 0.00 O ATOM 84 CB PRO A 372 5.858 2.881 19.999 1.00 0.00 C ATOM 85 CG PRO A 372 6.350 4.268 19.768 1.00 0.00 C ATOM 86 CD PRO A 372 7.664 4.367 20.493 1.00 0.00 C ATOM 0 HA PRO A 372 7.044 1.179 20.756 1.00 0.00 H new ATOM 0 HB2 PRO A 372 5.207 2.552 19.189 1.00 0.00 H new ATOM 0 HB3 PRO A 372 5.280 2.814 20.921 1.00 0.00 H new ATOM 0 HG2 PRO A 372 6.476 4.465 18.703 1.00 0.00 H new ATOM 0 HG3 PRO A 372 5.639 5.002 20.146 1.00 0.00 H new ATOM 0 HD2 PRO A 372 8.357 5.033 19.979 1.00 0.00 H new ATOM 0 HD3 PRO A 372 7.537 4.757 21.503 1.00 0.00 H new ATOM 94 N ASP A 373 8.432 1.970 18.033 1.00 0.00 N ATOM 95 CA ASP A 373 8.830 1.476 16.720 1.00 0.00 C ATOM 96 C ASP A 373 10.109 2.160 16.247 1.00 0.00 C ATOM 97 O ASP A 373 10.428 3.268 16.678 1.00 0.00 O ATOM 98 CB ASP A 373 7.710 1.706 15.704 1.00 0.00 C ATOM 99 CG ASP A 373 7.162 3.119 15.755 1.00 0.00 C ATOM 100 OD1 ASP A 373 7.866 4.044 15.298 1.00 0.00 O ATOM 101 OD2 ASP A 373 6.031 3.299 16.251 1.00 0.00 O ATOM 0 H ASP A 373 8.978 2.763 18.369 1.00 0.00 H new ATOM 0 HA ASP A 373 9.020 0.406 16.804 1.00 0.00 H new ATOM 0 HB2 ASP A 373 8.085 1.501 14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 373 6.902 0.999 15.892 1.00 0.00 H new ATOM 106 N TYR A 374 10.838 1.492 15.360 1.00 0.00 N ATOM 107 CA TYR A 374 12.085 2.034 14.832 1.00 0.00 C ATOM 108 C TYR A 374 11.874 2.632 13.444 1.00 0.00 C ATOM 109 O TYR A 374 11.666 1.910 12.469 1.00 0.00 O ATOM 110 CB TYR A 374 13.154 0.942 14.772 1.00 0.00 C ATOM 111 CG TYR A 374 13.147 0.020 15.971 1.00 0.00 C ATOM 112 CD1 TYR A 374 13.606 0.454 17.208 1.00 0.00 C ATOM 113 CD2 TYR A 374 12.681 -1.285 15.865 1.00 0.00 C ATOM 114 CE1 TYR A 374 13.602 -0.385 18.306 1.00 0.00 C ATOM 115 CE2 TYR A 374 12.672 -2.130 16.958 1.00 0.00 C ATOM 116 CZ TYR A 374 13.133 -1.676 18.176 1.00 0.00 C ATOM 117 OH TYR A 374 13.126 -2.515 19.266 1.00 0.00 O ATOM 0 H TYR A 374 10.587 0.575 14.991 1.00 0.00 H new ATOM 0 HA TYR A 374 12.421 2.826 15.502 1.00 0.00 H new ATOM 0 HB2 TYR A 374 13.006 0.350 13.869 1.00 0.00 H new ATOM 0 HB3 TYR A 374 14.135 1.410 14.690 1.00 0.00 H new ATOM 0 HD1 TYR A 374 13.972 1.464 17.314 1.00 0.00 H new ATOM 0 HD2 TYR A 374 12.320 -1.644 14.913 1.00 0.00 H new ATOM 0 HE1 TYR A 374 13.964 -0.032 19.260 1.00 0.00 H new ATOM 0 HE2 TYR A 374 12.306 -3.141 16.859 1.00 0.00 H new ATOM 0 HH TYR A 374 12.764 -3.387 19.005 1.00 0.00 H new ATOM 127 N VAL A 375 11.930 3.957 13.364 1.00 0.00 N ATOM 128 CA VAL A 375 11.748 4.654 12.096 1.00 0.00 C ATOM 129 C VAL A 375 13.078 4.843 11.376 1.00 0.00 C ATOM 130 O VAL A 375 13.264 5.810 10.638 1.00 0.00 O ATOM 131 CB VAL A 375 11.089 6.031 12.303 1.00 0.00 C ATOM 132 CG1 VAL A 375 10.717 6.652 10.965 1.00 0.00 C ATOM 133 CG2 VAL A 375 9.867 5.907 13.201 1.00 0.00 C ATOM 0 H VAL A 375 12.100 4.570 14.162 1.00 0.00 H new ATOM 0 HA VAL A 375 11.093 4.033 11.485 1.00 0.00 H new ATOM 0 HB VAL A 375 11.807 6.688 12.794 1.00 0.00 H new ATOM 0 HG11 VAL A 375 10.253 7.624 11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 375 11.615 6.778 10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 375 10.016 6.000 10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 375 9.414 6.889 13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 375 9.144 5.234 12.740 1.00 0.00 H new ATOM 0 HG23 VAL A 375 10.167 5.509 14.170 1.00 0.00 H new ATOM 143 N GLU A 376 14.001 3.912 11.596 1.00 0.00 N ATOM 144 CA GLU A 376 15.315 3.976 10.968 1.00 0.00 C ATOM 145 C GLU A 376 15.304 3.278 9.611 1.00 0.00 C ATOM 146 O GLU A 376 15.779 2.150 9.476 1.00 0.00 O ATOM 147 CB GLU A 376 16.370 3.337 11.873 1.00 0.00 C ATOM 148 CG GLU A 376 17.781 3.834 11.609 1.00 0.00 C ATOM 149 CD GLU A 376 18.651 3.811 12.851 1.00 0.00 C ATOM 150 OE1 GLU A 376 19.287 2.768 13.109 1.00 0.00 O ATOM 151 OE2 GLU A 376 18.695 4.835 13.564 1.00 0.00 O ATOM 0 H GLU A 376 13.863 3.105 12.204 1.00 0.00 H new ATOM 0 HA GLU A 376 15.565 5.026 10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 376 16.113 3.536 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.344 2.256 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 376 18.241 3.217 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 376 17.737 4.851 11.220 1.00 0.00 H new ATOM 158 N VAL A 377 14.759 3.957 8.607 1.00 0.00 N ATOM 159 CA VAL A 377 14.686 3.404 7.260 1.00 0.00 C ATOM 160 C VAL A 377 15.984 3.641 6.497 1.00 0.00 C ATOM 161 O VAL A 377 16.505 4.757 6.469 1.00 0.00 O ATOM 162 CB VAL A 377 13.517 4.016 6.464 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.620 3.645 4.993 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.185 3.565 7.044 1.00 0.00 C ATOM 0 H VAL A 377 14.361 4.892 8.701 1.00 0.00 H new ATOM 0 HA VAL A 377 14.521 2.332 7.367 1.00 0.00 H new ATOM 0 HB VAL A 377 13.574 5.102 6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.786 4.086 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.559 4.022 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.589 2.560 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.370 4.006 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.116 2.478 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.113 3.887 8.083 1.00 0.00 H new ATOM 174 N ASP A 378 16.502 2.586 5.879 1.00 0.00 N ATOM 175 CA ASP A 378 17.740 2.679 5.114 1.00 0.00 C ATOM 176 C ASP A 378 17.462 3.128 3.683 1.00 0.00 C ATOM 177 O ASP A 378 18.076 4.073 3.188 1.00 0.00 O ATOM 178 CB ASP A 378 18.463 1.331 5.107 1.00 0.00 C ATOM 179 CG ASP A 378 19.947 1.472 4.832 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.320 1.619 3.649 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.736 1.435 5.800 1.00 0.00 O ATOM 0 H ASP A 378 16.084 1.656 5.893 1.00 0.00 H new ATOM 0 HA ASP A 378 18.378 3.422 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.320 0.840 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 378 18.016 0.686 4.351 1.00 0.00 H new ATOM 186 N ARG A 379 16.533 2.443 3.023 1.00 0.00 N ATOM 187 CA ARG A 379 16.175 2.770 1.648 1.00 0.00 C ATOM 188 C ARG A 379 14.928 2.004 1.215 1.00 0.00 C ATOM 189 O ARG A 379 14.338 1.263 2.001 1.00 0.00 O ATOM 190 CB ARG A 379 17.337 2.449 0.706 1.00 0.00 C ATOM 191 CG ARG A 379 17.523 0.962 0.453 1.00 0.00 C ATOM 192 CD ARG A 379 18.768 0.690 -0.376 1.00 0.00 C ATOM 193 NE ARG A 379 19.974 0.643 0.447 1.00 0.00 N ATOM 194 CZ ARG A 379 21.201 0.792 -0.039 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.384 0.998 -1.336 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.249 0.737 0.773 1.00 0.00 N ATOM 0 H ARG A 379 16.015 1.658 3.419 1.00 0.00 H new ATOM 0 HA ARG A 379 15.961 3.838 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.172 2.953 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.257 2.855 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 379 17.596 0.436 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.648 0.567 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.652 -0.257 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.876 1.466 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 379 19.868 0.487 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.581 1.042 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.328 1.112 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.113 0.580 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.191 0.852 0.399 1.00 0.00 H new ATOM 210 N ILE A 380 14.534 2.189 -0.041 1.00 0.00 N ATOM 211 CA ILE A 380 13.358 1.516 -0.578 1.00 0.00 C ATOM 212 C ILE A 380 13.754 0.431 -1.574 1.00 0.00 C ATOM 213 O ILE A 380 14.225 0.724 -2.674 1.00 0.00 O ATOM 214 CB ILE A 380 12.407 2.510 -1.271 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.993 3.616 -0.297 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.183 1.785 -1.808 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.286 4.774 -0.964 1.00 0.00 C ATOM 0 H ILE A 380 15.012 2.799 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 380 12.841 1.061 0.267 1.00 0.00 H new ATOM 0 HB ILE A 380 12.931 2.967 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.339 3.192 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.880 3.989 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.521 2.501 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.495 1.030 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.655 1.304 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.022 5.520 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.945 5.224 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.380 4.415 -1.453 1.00 0.00 H new ATOM 229 N LEU A 381 13.558 -0.823 -1.183 1.00 0.00 N ATOM 230 CA LEU A 381 13.892 -1.954 -2.042 1.00 0.00 C ATOM 231 C LEU A 381 13.063 -1.929 -3.322 1.00 0.00 C ATOM 232 O LEU A 381 13.590 -1.699 -4.410 1.00 0.00 O ATOM 233 CB LEU A 381 13.662 -3.271 -1.298 1.00 0.00 C ATOM 234 CG LEU A 381 14.741 -3.669 -0.290 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.278 -4.850 0.549 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.044 -3.998 -1.005 1.00 0.00 C ATOM 0 H LEU A 381 13.169 -1.083 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 381 14.945 -1.875 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.709 -3.207 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.568 -4.069 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 381 14.919 -2.824 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.059 -5.119 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.372 -4.579 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.071 -5.700 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.800 -4.279 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.882 -4.826 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.385 -3.125 -1.561 1.00 0.00 H new ATOM 248 N GLU A 382 11.762 -2.166 -3.183 1.00 0.00 N ATOM 249 CA GLU A 382 10.860 -2.169 -4.329 1.00 0.00 C ATOM 250 C GLU A 382 9.466 -1.697 -3.926 1.00 0.00 C ATOM 251 O GLU A 382 9.093 -1.757 -2.754 1.00 0.00 O ATOM 252 CB GLU A 382 10.780 -3.570 -4.939 1.00 0.00 C ATOM 253 CG GLU A 382 10.284 -3.581 -6.375 1.00 0.00 C ATOM 254 CD GLU A 382 10.473 -4.927 -7.048 1.00 0.00 C ATOM 255 OE1 GLU A 382 10.381 -5.957 -6.348 1.00 0.00 O ATOM 256 OE2 GLU A 382 10.714 -4.950 -8.273 1.00 0.00 O ATOM 0 H GLU A 382 11.310 -2.358 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 382 11.257 -1.479 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.767 -4.031 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.118 -4.185 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 382 9.227 -3.316 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 382 10.814 -2.817 -6.944 1.00 0.00 H new ATOM 263 N VAL A 383 8.701 -1.227 -4.906 1.00 0.00 N ATOM 264 CA VAL A 383 7.348 -0.745 -4.655 1.00 0.00 C ATOM 265 C VAL A 383 6.315 -1.605 -5.374 1.00 0.00 C ATOM 266 O VAL A 383 6.540 -2.054 -6.498 1.00 0.00 O ATOM 267 CB VAL A 383 7.182 0.719 -5.102 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.498 0.864 -6.583 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.775 1.212 -4.799 1.00 0.00 C ATOM 0 H VAL A 383 8.995 -1.170 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 383 7.184 -0.810 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 383 7.887 1.334 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.375 1.905 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.526 0.552 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.819 0.238 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.675 2.248 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.051 0.595 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.589 1.146 -3.727 1.00 0.00 H new ATOM 279 N ALA A 384 5.182 -1.832 -4.719 1.00 0.00 N ATOM 280 CA ALA A 384 4.113 -2.637 -5.297 1.00 0.00 C ATOM 281 C ALA A 384 2.775 -1.908 -5.222 1.00 0.00 C ATOM 282 O ALA A 384 2.490 -1.212 -4.247 1.00 0.00 O ATOM 283 CB ALA A 384 4.024 -3.982 -4.591 1.00 0.00 C ATOM 0 H ALA A 384 4.980 -1.470 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 384 4.347 -2.806 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.221 -4.573 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.969 -4.514 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.818 -3.824 -3.532 1.00 0.00 H new ATOM 289 N HIS A 385 1.958 -2.072 -6.257 1.00 0.00 N ATOM 290 CA HIS A 385 0.650 -1.430 -6.308 1.00 0.00 C ATOM 291 C HIS A 385 -0.467 -2.457 -6.151 1.00 0.00 C ATOM 292 O HIS A 385 -0.692 -3.286 -7.033 1.00 0.00 O ATOM 293 CB HIS A 385 0.481 -0.674 -7.627 1.00 0.00 C ATOM 294 CG HIS A 385 1.438 0.466 -7.790 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.721 0.308 -8.272 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.294 1.788 -7.536 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.324 1.483 -8.304 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.480 2.398 -7.863 1.00 0.00 N ATOM 0 H HIS A 385 2.179 -2.644 -7.072 1.00 0.00 H new ATOM 0 HA HIS A 385 0.588 -0.723 -5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.614 -1.370 -8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.539 -0.294 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.410 2.273 -7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.336 1.665 -8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.677 3.395 -7.779 1.00 0.00 H new ATOM 306 N THR A 386 -1.164 -2.398 -5.020 1.00 0.00 N ATOM 307 CA THR A 386 -2.255 -3.324 -4.745 1.00 0.00 C ATOM 308 C THR A 386 -3.601 -2.609 -4.766 1.00 0.00 C ATOM 309 O THR A 386 -3.683 -1.409 -4.504 1.00 0.00 O ATOM 310 CB THR A 386 -2.075 -4.016 -3.381 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.693 -4.323 -3.166 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.901 -5.292 -3.308 1.00 0.00 C ATOM 0 H THR A 386 -0.992 -1.718 -4.280 1.00 0.00 H new ATOM 0 HA THR A 386 -2.235 -4.078 -5.532 1.00 0.00 H new ATOM 0 HB THR A 386 -2.420 -3.334 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.387 -3.892 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.758 -5.763 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.955 -5.051 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.582 -5.977 -4.094 1.00 0.00 H new ATOM 320 N LYS A 387 -4.656 -3.353 -5.080 1.00 0.00 N ATOM 321 CA LYS A 387 -6.001 -2.792 -5.133 1.00 0.00 C ATOM 322 C LYS A 387 -6.936 -3.526 -4.177 1.00 0.00 C ATOM 323 O LYS A 387 -7.269 -4.691 -4.393 1.00 0.00 O ATOM 324 CB LYS A 387 -6.551 -2.866 -6.559 1.00 0.00 C ATOM 325 CG LYS A 387 -7.565 -1.782 -6.878 1.00 0.00 C ATOM 326 CD LYS A 387 -8.976 -2.212 -6.512 1.00 0.00 C ATOM 327 CE LYS A 387 -9.656 -2.933 -7.666 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.405 -4.400 -7.628 1.00 0.00 N ATOM 0 H LYS A 387 -4.605 -4.347 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.944 -1.748 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.722 -2.794 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -7.014 -3.841 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -7.309 -0.872 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.521 -1.543 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.944 -2.867 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -9.563 -1.337 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -10.729 -2.747 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.295 -2.527 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.165 -4.895 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -8.492 -4.608 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.382 -4.723 -6.640 1.00 0.00 H new ATOM 342 N ASP A 388 -7.356 -2.837 -3.123 1.00 0.00 N ATOM 343 CA ASP A 388 -8.255 -3.423 -2.135 1.00 0.00 C ATOM 344 C ASP A 388 -9.498 -3.999 -2.806 1.00 0.00 C ATOM 345 O ASP A 388 -10.062 -3.392 -3.716 1.00 0.00 O ATOM 346 CB ASP A 388 -8.660 -2.375 -1.097 1.00 0.00 C ATOM 347 CG ASP A 388 -8.945 -2.985 0.261 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.976 -3.676 0.397 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.135 -2.772 1.188 1.00 0.00 O ATOM 0 H ASP A 388 -7.089 -1.872 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.726 -4.233 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -7.864 -1.637 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.546 -1.845 -1.447 1.00 0.00 H new ATOM 354 N ALA A 389 -9.918 -5.175 -2.351 1.00 0.00 N ATOM 355 CA ALA A 389 -11.094 -5.833 -2.907 1.00 0.00 C ATOM 356 C ALA A 389 -12.303 -5.660 -1.993 1.00 0.00 C ATOM 357 O ALA A 389 -13.033 -6.614 -1.728 1.00 0.00 O ATOM 358 CB ALA A 389 -10.812 -7.310 -3.138 1.00 0.00 C ATOM 0 H ALA A 389 -9.461 -5.691 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.324 -5.364 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.699 -7.789 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.981 -7.417 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -10.554 -7.784 -2.191 1.00 0.00 H new ATOM 364 N GLU A 390 -12.507 -4.437 -1.514 1.00 0.00 N ATOM 365 CA GLU A 390 -13.627 -4.140 -0.629 1.00 0.00 C ATOM 366 C GLU A 390 -14.413 -2.933 -1.132 1.00 0.00 C ATOM 367 O GLU A 390 -15.636 -2.987 -1.271 1.00 0.00 O ATOM 368 CB GLU A 390 -13.126 -3.881 0.794 1.00 0.00 C ATOM 369 CG GLU A 390 -12.924 -5.147 1.608 1.00 0.00 C ATOM 370 CD GLU A 390 -12.271 -4.879 2.951 1.00 0.00 C ATOM 371 OE1 GLU A 390 -13.003 -4.571 3.915 1.00 0.00 O ATOM 372 OE2 GLU A 390 -11.030 -4.977 3.037 1.00 0.00 O ATOM 0 H GLU A 390 -11.911 -3.636 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.290 -5.005 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.183 -3.337 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.839 -3.238 1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -13.888 -5.630 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -12.307 -5.845 1.041 1.00 0.00 H new ATOM 379 N THR A 391 -13.703 -1.842 -1.402 1.00 0.00 N ATOM 380 CA THR A 391 -14.333 -0.621 -1.887 1.00 0.00 C ATOM 381 C THR A 391 -13.880 -0.295 -3.306 1.00 0.00 C ATOM 382 O THR A 391 -14.689 0.075 -4.156 1.00 0.00 O ATOM 383 CB THR A 391 -14.016 0.577 -0.972 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.608 0.636 -0.713 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.774 0.469 0.343 1.00 0.00 C ATOM 0 H THR A 391 -12.691 -1.779 -1.293 1.00 0.00 H new ATOM 0 HA THR A 391 -15.409 -0.798 -1.883 1.00 0.00 H new ATOM 0 HB THR A 391 -14.331 1.488 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 391 -12.432 1.297 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 391 -14.534 1.326 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.846 0.453 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.486 -0.449 0.855 1.00 0.00 H new ATOM 393 N GLY A 392 -12.582 -0.436 -3.556 1.00 0.00 N ATOM 394 CA GLY A 392 -12.045 -0.153 -4.874 1.00 0.00 C ATOM 395 C GLY A 392 -11.061 0.999 -4.864 1.00 0.00 C ATOM 396 O GLY A 392 -10.968 1.753 -5.832 1.00 0.00 O ATOM 0 H GLY A 392 -11.893 -0.741 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.552 -1.045 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.864 0.079 -5.555 1.00 0.00 H new ATOM 400 N GLU A 393 -10.325 1.138 -3.765 1.00 0.00 N ATOM 401 CA GLU A 393 -9.344 2.209 -3.633 1.00 0.00 C ATOM 402 C GLU A 393 -7.934 1.690 -3.895 1.00 0.00 C ATOM 403 O GLU A 393 -7.555 0.622 -3.416 1.00 0.00 O ATOM 404 CB GLU A 393 -9.420 2.830 -2.236 1.00 0.00 C ATOM 405 CG GLU A 393 -10.792 3.382 -1.889 1.00 0.00 C ATOM 406 CD GLU A 393 -10.748 4.379 -0.747 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.341 3.987 0.366 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.119 5.551 -0.967 1.00 0.00 O ATOM 0 H GLU A 393 -10.390 0.523 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.575 2.973 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.143 2.078 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.686 3.633 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.220 3.862 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.454 2.558 -1.622 1.00 0.00 H new ATOM 415 N GLU A 394 -7.161 2.456 -4.660 1.00 0.00 N ATOM 416 CA GLU A 394 -5.793 2.073 -4.988 1.00 0.00 C ATOM 417 C GLU A 394 -4.909 2.093 -3.744 1.00 0.00 C ATOM 418 O GLU A 394 -4.777 3.120 -3.079 1.00 0.00 O ATOM 419 CB GLU A 394 -5.217 3.011 -6.050 1.00 0.00 C ATOM 420 CG GLU A 394 -5.106 4.455 -5.591 1.00 0.00 C ATOM 421 CD GLU A 394 -3.822 4.729 -4.833 1.00 0.00 C ATOM 422 OE1 GLU A 394 -2.762 4.220 -5.255 1.00 0.00 O ATOM 423 OE2 GLU A 394 -3.876 5.453 -3.817 1.00 0.00 O ATOM 0 H GLU A 394 -7.459 3.344 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.813 1.057 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.229 2.654 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.846 2.969 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.159 5.113 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.958 4.697 -4.955 1.00 0.00 H new ATOM 430 N VAL A 395 -4.307 0.949 -3.434 1.00 0.00 N ATOM 431 CA VAL A 395 -3.436 0.834 -2.271 1.00 0.00 C ATOM 432 C VAL A 395 -1.995 0.560 -2.688 1.00 0.00 C ATOM 433 O VAL A 395 -1.632 -0.575 -3.001 1.00 0.00 O ATOM 434 CB VAL A 395 -3.907 -0.286 -1.325 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.978 -0.399 -0.126 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.340 -0.038 -0.879 1.00 0.00 C ATOM 0 H VAL A 395 -4.407 0.089 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.484 1.787 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.878 -1.232 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.327 -1.196 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.969 -0.627 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.972 0.545 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.657 -0.839 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.398 0.916 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.993 -0.013 -1.751 1.00 0.00 H new ATOM 446 N THR A 396 -1.175 1.607 -2.690 1.00 0.00 N ATOM 447 CA THR A 396 0.226 1.479 -3.069 1.00 0.00 C ATOM 448 C THR A 396 1.094 1.148 -1.861 1.00 0.00 C ATOM 449 O THR A 396 1.137 1.903 -0.889 1.00 0.00 O ATOM 450 CB THR A 396 0.750 2.771 -3.725 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.132 3.180 -4.776 1.00 0.00 O ATOM 452 CG2 THR A 396 2.150 2.564 -4.283 1.00 0.00 C ATOM 0 H THR A 396 -1.458 2.553 -2.433 1.00 0.00 H new ATOM 0 HA THR A 396 0.286 0.664 -3.790 1.00 0.00 H new ATOM 0 HB THR A 396 0.790 3.549 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.977 3.493 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.499 3.489 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.825 2.281 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.130 1.773 -5.033 1.00 0.00 H new ATOM 460 N HIS A 397 1.786 0.015 -1.928 1.00 0.00 N ATOM 461 CA HIS A 397 2.656 -0.416 -0.839 1.00 0.00 C ATOM 462 C HIS A 397 4.118 -0.132 -1.167 1.00 0.00 C ATOM 463 O HIS A 397 4.545 -0.266 -2.314 1.00 0.00 O ATOM 464 CB HIS A 397 2.463 -1.908 -0.563 1.00 0.00 C ATOM 465 CG HIS A 397 1.210 -2.219 0.196 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.103 -2.801 -0.386 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.893 -2.028 1.497 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.841 -2.953 0.526 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.387 -2.492 1.677 1.00 0.00 N ATOM 0 H HIS A 397 1.761 -0.621 -2.725 1.00 0.00 H new ATOM 0 HA HIS A 397 2.386 0.148 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.447 -2.445 -1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.320 -2.279 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.528 -1.592 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.818 -3.382 0.358 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.903 -2.482 2.557 1.00 0.00 H new ATOM 477 N TYR A 398 4.882 0.260 -0.153 1.00 0.00 N ATOM 478 CA TYR A 398 6.296 0.566 -0.334 1.00 0.00 C ATOM 479 C TYR A 398 7.160 -0.283 0.594 1.00 0.00 C ATOM 480 O TYR A 398 7.075 -0.168 1.818 1.00 0.00 O ATOM 481 CB TYR A 398 6.555 2.051 -0.075 1.00 0.00 C ATOM 482 CG TYR A 398 6.198 2.941 -1.243 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.124 3.215 -2.242 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.933 3.508 -1.349 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.802 4.028 -3.311 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.602 4.321 -2.415 1.00 0.00 C ATOM 487 CZ TYR A 398 5.540 4.579 -3.394 1.00 0.00 C ATOM 488 OH TYR A 398 5.214 5.388 -4.458 1.00 0.00 O ATOM 0 H TYR A 398 4.545 0.373 0.803 1.00 0.00 H new ATOM 0 HA TYR A 398 6.564 0.332 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.982 2.364 0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.608 2.190 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.113 2.785 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.197 3.309 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.535 4.231 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.614 4.753 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 398 4.287 5.693 -4.365 1.00 0.00 H new ATOM 498 N LEU A 399 7.991 -1.134 0.003 1.00 0.00 N ATOM 499 CA LEU A 399 8.873 -2.003 0.775 1.00 0.00 C ATOM 500 C LEU A 399 9.962 -1.193 1.471 1.00 0.00 C ATOM 501 O LEU A 399 10.939 -0.780 0.846 1.00 0.00 O ATOM 502 CB LEU A 399 9.507 -3.056 -0.134 1.00 0.00 C ATOM 503 CG LEU A 399 10.493 -4.014 0.535 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.838 -4.719 1.712 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.017 -5.029 -0.471 1.00 0.00 C ATOM 0 H LEU A 399 8.073 -1.241 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 399 8.275 -2.503 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.709 -3.645 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.023 -2.543 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 399 11.336 -3.433 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.555 -5.397 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.512 -3.980 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.976 -5.287 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.717 -5.703 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.184 -5.604 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.525 -4.508 -1.282 1.00 0.00 H new ATOM 517 N VAL A 400 9.788 -0.971 2.770 1.00 0.00 N ATOM 518 CA VAL A 400 10.758 -0.214 3.553 1.00 0.00 C ATOM 519 C VAL A 400 12.001 -1.047 3.843 1.00 0.00 C ATOM 520 O VAL A 400 11.911 -2.150 4.383 1.00 0.00 O ATOM 521 CB VAL A 400 10.152 0.266 4.886 1.00 0.00 C ATOM 522 CG1 VAL A 400 11.214 0.933 5.746 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.988 1.211 4.631 1.00 0.00 C ATOM 0 H VAL A 400 8.984 -1.305 3.302 1.00 0.00 H new ATOM 0 HA VAL A 400 11.038 0.654 2.956 1.00 0.00 H new ATOM 0 HB VAL A 400 9.774 -0.601 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.767 1.265 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 400 12.012 0.221 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.625 1.792 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.572 1.541 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.339 2.077 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.218 0.694 4.058 1.00 0.00 H new ATOM 533 N LYS A 401 13.162 -0.513 3.482 1.00 0.00 N ATOM 534 CA LYS A 401 14.426 -1.205 3.705 1.00 0.00 C ATOM 535 C LYS A 401 15.171 -0.609 4.895 1.00 0.00 C ATOM 536 O LYS A 401 15.895 0.377 4.755 1.00 0.00 O ATOM 537 CB LYS A 401 15.301 -1.129 2.452 1.00 0.00 C ATOM 538 CG LYS A 401 16.253 -2.302 2.302 1.00 0.00 C ATOM 539 CD LYS A 401 17.274 -2.339 3.427 1.00 0.00 C ATOM 540 CE LYS A 401 18.587 -2.955 2.969 1.00 0.00 C ATOM 541 NZ LYS A 401 19.405 -1.993 2.180 1.00 0.00 N ATOM 0 H LYS A 401 13.254 0.398 3.033 1.00 0.00 H new ATOM 0 HA LYS A 401 14.205 -2.250 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.658 -1.079 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.878 -0.205 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.686 -3.233 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.768 -2.233 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.453 -1.327 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.874 -2.912 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 401 19.155 -3.287 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.382 -3.839 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 20.292 -2.450 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.873 -1.695 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.622 -1.161 2.765 1.00 0.00 H new ATOM 555 N TRP A 402 14.990 -1.213 6.063 1.00 0.00 N ATOM 556 CA TRP A 402 15.646 -0.741 7.277 1.00 0.00 C ATOM 557 C TRP A 402 16.647 -1.771 7.790 1.00 0.00 C ATOM 558 O TRP A 402 16.307 -2.628 8.606 1.00 0.00 O ATOM 559 CB TRP A 402 14.608 -0.439 8.359 1.00 0.00 C ATOM 560 CG TRP A 402 13.494 -1.440 8.409 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.553 -2.751 8.032 1.00 0.00 C ATOM 562 CD2 TRP A 402 12.155 -1.210 8.861 1.00 0.00 C ATOM 563 NE1 TRP A 402 12.331 -3.350 8.222 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.456 -2.426 8.730 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.478 -0.096 9.364 1.00 0.00 C ATOM 566 CZ2 TRP A 402 10.116 -2.556 9.084 1.00 0.00 C ATOM 567 CZ3 TRP A 402 10.148 -0.226 9.715 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.478 -1.449 9.574 1.00 0.00 C ATOM 0 H TRP A 402 14.395 -2.031 6.196 1.00 0.00 H new ATOM 0 HA TRP A 402 16.185 0.175 7.035 1.00 0.00 H new ATOM 0 HB2 TRP A 402 15.103 -0.409 9.329 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.189 0.552 8.184 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.431 -3.245 7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 402 12.111 -4.325 8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.986 0.851 9.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.598 -3.498 8.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.616 0.629 10.105 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.438 -1.519 9.858 1.00 0.00 H new ATOM 579 N CYS A 403 17.881 -1.682 7.306 1.00 0.00 N ATOM 580 CA CYS A 403 18.932 -2.607 7.716 1.00 0.00 C ATOM 581 C CYS A 403 18.858 -2.885 9.214 1.00 0.00 C ATOM 582 O CYS A 403 18.908 -4.037 9.645 1.00 0.00 O ATOM 583 CB CYS A 403 20.307 -2.041 7.357 1.00 0.00 C ATOM 584 SG CYS A 403 21.600 -3.294 7.191 1.00 0.00 S ATOM 0 H CYS A 403 18.178 -0.979 6.629 1.00 0.00 H new ATOM 0 HA CYS A 403 18.783 -3.546 7.183 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.228 -1.490 6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.605 -1.326 8.124 1.00 0.00 H new ATOM 0 HG CYS A 403 22.725 -2.719 6.884 1.00 0.00 H new ATOM 590 N SER A 404 18.741 -1.822 10.003 1.00 0.00 N ATOM 591 CA SER A 404 18.666 -1.951 11.453 1.00 0.00 C ATOM 592 C SER A 404 17.924 -3.225 11.848 1.00 0.00 C ATOM 593 O SER A 404 18.288 -3.894 12.815 1.00 0.00 O ATOM 594 CB SER A 404 17.967 -0.732 12.059 1.00 0.00 C ATOM 595 OG SER A 404 16.930 -0.266 11.214 1.00 0.00 O ATOM 0 H SER A 404 18.696 -0.862 9.662 1.00 0.00 H new ATOM 0 HA SER A 404 19.683 -2.008 11.841 1.00 0.00 H new ATOM 0 HB2 SER A 404 17.556 -0.992 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 404 18.693 0.064 12.221 1.00 0.00 H new ATOM 0 HG SER A 404 16.158 -0.003 11.758 1.00 0.00 H new ATOM 601 N LEU A 405 16.883 -3.553 11.092 1.00 0.00 N ATOM 602 CA LEU A 405 16.088 -4.747 11.361 1.00 0.00 C ATOM 603 C LEU A 405 16.536 -5.909 10.480 1.00 0.00 C ATOM 604 O LEU A 405 17.140 -5.722 9.423 1.00 0.00 O ATOM 605 CB LEU A 405 14.604 -4.459 11.129 1.00 0.00 C ATOM 606 CG LEU A 405 13.876 -3.733 12.261 1.00 0.00 C ATOM 607 CD1 LEU A 405 12.527 -3.218 11.784 1.00 0.00 C ATOM 608 CD2 LEU A 405 13.705 -4.652 13.461 1.00 0.00 C ATOM 0 H LEU A 405 16.569 -3.010 10.288 1.00 0.00 H new ATOM 0 HA LEU A 405 16.239 -5.026 12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 405 14.508 -3.863 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 405 14.095 -5.405 10.945 1.00 0.00 H new ATOM 0 HG LEU A 405 14.480 -2.879 12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 405 12.023 -2.704 12.603 1.00 0.00 H new ATOM 0 HD12 LEU A 405 12.674 -2.524 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.915 -4.056 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 405 13.185 -4.118 14.257 1.00 0.00 H new ATOM 0 HD22 LEU A 405 13.123 -5.526 13.170 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.684 -4.971 13.818 1.00 0.00 H new ATOM 620 N PRO A 406 16.233 -7.138 10.923 1.00 0.00 N ATOM 621 CA PRO A 406 16.592 -8.355 10.188 1.00 0.00 C ATOM 622 C PRO A 406 15.790 -8.514 8.901 1.00 0.00 C ATOM 623 O PRO A 406 14.567 -8.370 8.899 1.00 0.00 O ATOM 624 CB PRO A 406 16.252 -9.477 11.172 1.00 0.00 C ATOM 625 CG PRO A 406 15.199 -8.900 12.054 1.00 0.00 C ATOM 626 CD PRO A 406 15.515 -7.435 12.174 1.00 0.00 C ATOM 0 HA PRO A 406 17.635 -8.347 9.873 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.891 -10.364 10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 406 17.128 -9.779 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 406 14.207 -9.051 11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 406 15.203 -9.381 13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 406 14.610 -6.835 12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 406 16.130 -7.227 13.050 1.00 0.00 H new ATOM 634 N TYR A 407 16.486 -8.811 7.809 1.00 0.00 N ATOM 635 CA TYR A 407 15.838 -8.988 6.515 1.00 0.00 C ATOM 636 C TYR A 407 14.586 -9.851 6.645 1.00 0.00 C ATOM 637 O TYR A 407 13.494 -9.441 6.254 1.00 0.00 O ATOM 638 CB TYR A 407 16.808 -9.624 5.518 1.00 0.00 C ATOM 639 CG TYR A 407 17.822 -8.653 4.957 1.00 0.00 C ATOM 640 CD1 TYR A 407 17.436 -7.635 4.094 1.00 0.00 C ATOM 641 CD2 TYR A 407 19.167 -8.754 5.292 1.00 0.00 C ATOM 642 CE1 TYR A 407 18.360 -6.747 3.579 1.00 0.00 C ATOM 643 CE2 TYR A 407 20.098 -7.869 4.782 1.00 0.00 C ATOM 644 CZ TYR A 407 19.690 -6.867 3.926 1.00 0.00 C ATOM 645 OH TYR A 407 20.613 -5.984 3.416 1.00 0.00 O ATOM 0 H TYR A 407 17.498 -8.934 7.794 1.00 0.00 H new ATOM 0 HA TYR A 407 15.543 -8.005 6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.334 -10.443 6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.239 -10.057 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.396 -7.536 3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 407 19.490 -9.537 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 407 18.043 -5.962 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 407 21.140 -7.961 5.052 1.00 0.00 H new ATOM 0 HH TYR A 407 21.503 -6.206 3.760 1.00 0.00 H new ATOM 655 N GLU A 408 14.756 -11.048 7.199 1.00 0.00 N ATOM 656 CA GLU A 408 13.640 -11.969 7.381 1.00 0.00 C ATOM 657 C GLU A 408 12.371 -11.217 7.770 1.00 0.00 C ATOM 658 O GLU A 408 11.262 -11.646 7.455 1.00 0.00 O ATOM 659 CB GLU A 408 13.979 -13.009 8.451 1.00 0.00 C ATOM 660 CG GLU A 408 13.262 -14.335 8.259 1.00 0.00 C ATOM 661 CD GLU A 408 13.518 -14.944 6.894 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.673 -15.340 6.629 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.565 -15.026 6.091 1.00 0.00 O ATOM 0 H GLU A 408 15.654 -11.402 7.529 1.00 0.00 H new ATOM 0 HA GLU A 408 13.463 -12.477 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 408 15.055 -13.184 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.724 -12.606 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 408 13.585 -15.034 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.190 -14.187 8.391 1.00 0.00 H new ATOM 670 N GLU A 409 12.544 -10.093 8.458 1.00 0.00 N ATOM 671 CA GLU A 409 11.413 -9.282 8.892 1.00 0.00 C ATOM 672 C GLU A 409 11.111 -8.182 7.878 1.00 0.00 C ATOM 673 O GLU A 409 10.757 -7.062 8.248 1.00 0.00 O ATOM 674 CB GLU A 409 11.696 -8.663 10.263 1.00 0.00 C ATOM 675 CG GLU A 409 11.532 -9.638 11.416 1.00 0.00 C ATOM 676 CD GLU A 409 10.087 -9.794 11.849 1.00 0.00 C ATOM 677 OE1 GLU A 409 9.595 -8.921 12.595 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.449 -10.787 11.442 1.00 0.00 O ATOM 0 H GLU A 409 13.456 -9.724 8.727 1.00 0.00 H new ATOM 0 HA GLU A 409 10.541 -9.932 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.713 -8.270 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.026 -7.817 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.926 -10.611 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.126 -9.296 12.263 1.00 0.00 H new ATOM 685 N SER A 410 11.255 -8.510 6.598 1.00 0.00 N ATOM 686 CA SER A 410 11.002 -7.550 5.530 1.00 0.00 C ATOM 687 C SER A 410 9.505 -7.308 5.360 1.00 0.00 C ATOM 688 O SER A 410 8.750 -8.223 5.031 1.00 0.00 O ATOM 689 CB SER A 410 11.603 -8.048 4.215 1.00 0.00 C ATOM 690 OG SER A 410 11.158 -9.360 3.915 1.00 0.00 O ATOM 0 H SER A 410 11.545 -9.433 6.275 1.00 0.00 H new ATOM 0 HA SER A 410 11.476 -6.607 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.325 -7.373 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.691 -8.036 4.281 1.00 0.00 H new ATOM 0 HG SER A 410 10.227 -9.463 4.203 1.00 0.00 H new ATOM 696 N THR A 411 9.083 -6.068 5.585 1.00 0.00 N ATOM 697 CA THR A 411 7.677 -5.704 5.458 1.00 0.00 C ATOM 698 C THR A 411 7.490 -4.576 4.450 1.00 0.00 C ATOM 699 O THR A 411 8.461 -3.977 3.988 1.00 0.00 O ATOM 700 CB THR A 411 7.084 -5.272 6.812 1.00 0.00 C ATOM 701 OG1 THR A 411 5.708 -4.909 6.651 1.00 0.00 O ATOM 702 CG2 THR A 411 7.859 -4.098 7.392 1.00 0.00 C ATOM 0 H THR A 411 9.695 -5.298 5.856 1.00 0.00 H new ATOM 0 HA THR A 411 7.151 -6.592 5.107 1.00 0.00 H new ATOM 0 HB THR A 411 7.159 -6.113 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.338 -4.637 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.422 -3.810 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.899 -4.387 7.541 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.811 -3.255 6.703 1.00 0.00 H new ATOM 710 N TRP A 412 6.237 -4.291 4.115 1.00 0.00 N ATOM 711 CA TRP A 412 5.924 -3.232 3.161 1.00 0.00 C ATOM 712 C TRP A 412 4.970 -2.213 3.774 1.00 0.00 C ATOM 713 O TRP A 412 3.753 -2.395 3.750 1.00 0.00 O ATOM 714 CB TRP A 412 5.308 -3.826 1.893 1.00 0.00 C ATOM 715 CG TRP A 412 6.168 -4.872 1.249 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.699 -5.978 1.848 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.596 -4.907 -0.116 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.432 -6.700 0.937 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.384 -6.064 -0.276 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.390 -4.076 -1.220 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.965 -6.407 -1.494 1.00 0.00 C ATOM 722 CZ3 TRP A 412 6.967 -4.417 -2.429 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.746 -5.575 -2.558 1.00 0.00 C ATOM 0 H TRP A 412 5.422 -4.777 4.489 1.00 0.00 H new ATOM 0 HA TRP A 412 6.853 -2.724 2.902 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.340 -4.262 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.125 -3.025 1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.563 -6.246 2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.931 -7.568 1.132 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.790 -3.182 -1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.567 -7.298 -1.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 6.815 -3.781 -3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.182 -5.815 -3.516 1.00 0.00 H new ATOM 734 N GLU A 413 5.531 -1.140 4.323 1.00 0.00 N ATOM 735 CA GLU A 413 4.728 -0.092 4.943 1.00 0.00 C ATOM 736 C GLU A 413 4.002 0.734 3.886 1.00 0.00 C ATOM 737 O GLU A 413 4.583 1.108 2.866 1.00 0.00 O ATOM 738 CB GLU A 413 5.611 0.818 5.800 1.00 0.00 C ATOM 739 CG GLU A 413 6.398 0.075 6.866 1.00 0.00 C ATOM 740 CD GLU A 413 6.765 0.959 8.043 1.00 0.00 C ATOM 741 OE1 GLU A 413 5.896 1.178 8.913 1.00 0.00 O ATOM 742 OE2 GLU A 413 7.919 1.431 8.093 1.00 0.00 O ATOM 0 H GLU A 413 6.537 -0.974 4.351 1.00 0.00 H new ATOM 0 HA GLU A 413 3.984 -0.569 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.307 1.350 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.985 1.570 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.811 -0.772 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.308 -0.331 6.424 1.00 0.00 H new ATOM 749 N LEU A 414 2.728 1.016 4.136 1.00 0.00 N ATOM 750 CA LEU A 414 1.920 1.797 3.206 1.00 0.00 C ATOM 751 C LEU A 414 2.589 3.132 2.893 1.00 0.00 C ATOM 752 O LEU A 414 3.234 3.730 3.754 1.00 0.00 O ATOM 753 CB LEU A 414 0.525 2.036 3.787 1.00 0.00 C ATOM 754 CG LEU A 414 -0.461 0.874 3.664 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.608 1.041 4.648 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.988 0.770 2.240 1.00 0.00 C ATOM 0 H LEU A 414 2.232 0.715 4.975 1.00 0.00 H new ATOM 0 HA LEU A 414 1.828 1.231 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.631 2.286 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.093 2.907 3.295 1.00 0.00 H new ATOM 0 HG LEU A 414 0.065 -0.050 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.300 0.205 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.215 1.065 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.133 1.973 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.688 -0.062 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.497 1.696 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.156 0.602 1.556 1.00 0.00 H new ATOM 768 N GLU A 415 2.427 3.594 1.657 1.00 0.00 N ATOM 769 CA GLU A 415 3.014 4.860 1.232 1.00 0.00 C ATOM 770 C GLU A 415 2.864 5.921 2.319 1.00 0.00 C ATOM 771 O GLU A 415 3.759 6.739 2.529 1.00 0.00 O ATOM 772 CB GLU A 415 2.357 5.343 -0.062 1.00 0.00 C ATOM 773 CG GLU A 415 2.915 6.661 -0.573 1.00 0.00 C ATOM 774 CD GLU A 415 2.299 7.083 -1.892 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.904 6.195 -2.675 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.211 8.304 -2.141 1.00 0.00 O ATOM 0 H GLU A 415 1.895 3.111 0.933 1.00 0.00 H new ATOM 0 HA GLU A 415 4.077 4.697 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.485 4.581 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.285 5.452 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.740 7.438 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.995 6.572 -0.693 1.00 0.00 H new ATOM 783 N GLU A 416 1.726 5.900 3.005 1.00 0.00 N ATOM 784 CA GLU A 416 1.458 6.861 4.069 1.00 0.00 C ATOM 785 C GLU A 416 2.559 6.824 5.125 1.00 0.00 C ATOM 786 O GLU A 416 3.288 7.798 5.312 1.00 0.00 O ATOM 787 CB GLU A 416 0.103 6.573 4.718 1.00 0.00 C ATOM 788 CG GLU A 416 -1.075 6.755 3.775 1.00 0.00 C ATOM 789 CD GLU A 416 -2.379 6.991 4.510 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.609 6.323 5.540 1.00 0.00 O ATOM 791 OE2 GLU A 416 -3.171 7.844 4.056 1.00 0.00 O ATOM 0 H GLU A 416 0.975 5.229 2.843 1.00 0.00 H new ATOM 0 HA GLU A 416 1.436 7.857 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.101 5.551 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.026 7.231 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.878 7.598 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.172 5.870 3.146 1.00 0.00 H new ATOM 798 N ASP A 417 2.672 5.693 5.813 1.00 0.00 N ATOM 799 CA ASP A 417 3.683 5.527 6.851 1.00 0.00 C ATOM 800 C ASP A 417 5.070 5.871 6.318 1.00 0.00 C ATOM 801 O ASP A 417 5.877 6.492 7.010 1.00 0.00 O ATOM 802 CB ASP A 417 3.669 4.093 7.383 1.00 0.00 C ATOM 803 CG ASP A 417 2.380 3.757 8.107 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.321 3.717 7.447 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.432 3.534 9.335 1.00 0.00 O ATOM 0 H ASP A 417 2.076 4.878 5.671 1.00 0.00 H new ATOM 0 HA ASP A 417 3.446 6.211 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.808 3.399 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.511 3.952 8.061 1.00 0.00 H new ATOM 810 N VAL A 418 5.342 5.462 5.082 1.00 0.00 N ATOM 811 CA VAL A 418 6.632 5.727 4.456 1.00 0.00 C ATOM 812 C VAL A 418 6.752 7.190 4.043 1.00 0.00 C ATOM 813 O VAL A 418 6.038 7.656 3.155 1.00 0.00 O ATOM 814 CB VAL A 418 6.848 4.836 3.218 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.161 5.184 2.533 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.814 3.366 3.608 1.00 0.00 C ATOM 0 H VAL A 418 4.686 4.946 4.495 1.00 0.00 H new ATOM 0 HA VAL A 418 7.397 5.498 5.198 1.00 0.00 H new ATOM 0 HB VAL A 418 6.038 5.020 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.297 4.545 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.142 6.228 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.986 5.029 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.968 2.751 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.603 3.163 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.846 3.129 4.050 1.00 0.00 H new ATOM 826 N ASP A 419 7.661 7.909 4.692 1.00 0.00 N ATOM 827 CA ASP A 419 7.877 9.320 4.392 1.00 0.00 C ATOM 828 C ASP A 419 7.921 9.554 2.885 1.00 0.00 C ATOM 829 O ASP A 419 8.391 8.715 2.116 1.00 0.00 O ATOM 830 CB ASP A 419 9.176 9.807 5.035 1.00 0.00 C ATOM 831 CG ASP A 419 8.964 10.335 6.440 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.712 9.517 7.349 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.051 11.566 6.631 1.00 0.00 O ATOM 0 H ASP A 419 8.260 7.538 5.429 1.00 0.00 H new ATOM 0 HA ASP A 419 7.042 9.886 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.894 8.987 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.612 10.592 4.417 1.00 0.00 H new ATOM 838 N PRO A 420 7.420 10.720 2.452 1.00 0.00 N ATOM 839 CA PRO A 420 7.390 11.091 1.034 1.00 0.00 C ATOM 840 C PRO A 420 8.782 11.371 0.479 1.00 0.00 C ATOM 841 O PRO A 420 9.108 10.970 -0.638 1.00 0.00 O ATOM 842 CB PRO A 420 6.542 12.365 1.019 1.00 0.00 C ATOM 843 CG PRO A 420 6.696 12.940 2.385 1.00 0.00 C ATOM 844 CD PRO A 420 6.843 11.766 3.313 1.00 0.00 C ATOM 0 HA PRO A 420 6.992 10.290 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 420 6.888 13.062 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.498 12.143 0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.568 13.591 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.830 13.544 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.495 11.999 4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.883 11.460 3.729 1.00 0.00 H new ATOM 852 N ALA A 421 9.600 12.062 1.267 1.00 0.00 N ATOM 853 CA ALA A 421 10.959 12.394 0.855 1.00 0.00 C ATOM 854 C ALA A 421 11.710 11.151 0.391 1.00 0.00 C ATOM 855 O ALA A 421 12.297 11.135 -0.692 1.00 0.00 O ATOM 856 CB ALA A 421 11.706 13.070 1.995 1.00 0.00 C ATOM 0 H ALA A 421 9.345 12.403 2.194 1.00 0.00 H new ATOM 0 HA ALA A 421 10.899 13.086 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 421 12.719 13.312 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.187 13.986 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.748 12.397 2.852 1.00 0.00 H new ATOM 862 N LYS A 422 11.690 10.110 1.217 1.00 0.00 N ATOM 863 CA LYS A 422 12.369 8.861 0.892 1.00 0.00 C ATOM 864 C LYS A 422 11.898 8.320 -0.454 1.00 0.00 C ATOM 865 O LYS A 422 12.668 7.705 -1.192 1.00 0.00 O ATOM 866 CB LYS A 422 12.120 7.822 1.987 1.00 0.00 C ATOM 867 CG LYS A 422 13.056 7.954 3.175 1.00 0.00 C ATOM 868 CD LYS A 422 12.721 9.175 4.015 1.00 0.00 C ATOM 869 CE LYS A 422 13.833 9.495 5.003 1.00 0.00 C ATOM 870 NZ LYS A 422 15.027 10.073 4.326 1.00 0.00 N ATOM 0 H LYS A 422 11.210 10.107 2.117 1.00 0.00 H new ATOM 0 HA LYS A 422 13.438 9.063 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.091 7.912 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.226 6.825 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.991 7.058 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.085 8.025 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 422 12.555 10.032 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 422 11.791 9.001 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 422 13.464 10.197 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.120 8.587 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.668 10.478 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.523 9.326 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.725 10.819 3.667 1.00 0.00 H new ATOM 884 N VAL A 423 10.627 8.554 -0.769 1.00 0.00 N ATOM 885 CA VAL A 423 10.054 8.092 -2.028 1.00 0.00 C ATOM 886 C VAL A 423 10.715 8.779 -3.218 1.00 0.00 C ATOM 887 O VAL A 423 11.026 8.142 -4.224 1.00 0.00 O ATOM 888 CB VAL A 423 8.536 8.346 -2.080 1.00 0.00 C ATOM 889 CG1 VAL A 423 7.961 7.874 -3.407 1.00 0.00 C ATOM 890 CG2 VAL A 423 7.841 7.659 -0.914 1.00 0.00 C ATOM 0 H VAL A 423 9.975 9.061 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 423 10.237 7.019 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 423 8.361 9.419 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 423 6.887 8.062 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.438 8.416 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.145 6.806 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.769 7.849 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.022 6.585 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.233 8.050 0.025 1.00 0.00 H new ATOM 900 N LYS A 424 10.927 10.085 -3.096 1.00 0.00 N ATOM 901 CA LYS A 424 11.553 10.862 -4.160 1.00 0.00 C ATOM 902 C LYS A 424 12.938 10.316 -4.489 1.00 0.00 C ATOM 903 O LYS A 424 13.280 10.129 -5.656 1.00 0.00 O ATOM 904 CB LYS A 424 11.656 12.333 -3.752 1.00 0.00 C ATOM 905 CG LYS A 424 10.402 13.136 -4.050 1.00 0.00 C ATOM 906 CD LYS A 424 9.251 12.729 -3.145 1.00 0.00 C ATOM 907 CE LYS A 424 8.261 13.868 -2.955 1.00 0.00 C ATOM 908 NZ LYS A 424 7.197 13.857 -3.997 1.00 0.00 N ATOM 0 H LYS A 424 10.674 10.628 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 424 10.929 10.781 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 424 11.869 12.391 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.500 12.787 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.610 14.198 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.115 12.992 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 424 8.738 11.867 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.641 12.419 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 424 7.804 13.791 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 424 8.791 14.820 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 6.542 14.648 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 7.631 13.956 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 6.674 12.959 -3.950 1.00 0.00 H new ATOM 922 N GLU A 425 13.731 10.061 -3.452 1.00 0.00 N ATOM 923 CA GLU A 425 15.079 9.536 -3.633 1.00 0.00 C ATOM 924 C GLU A 425 15.056 8.247 -4.449 1.00 0.00 C ATOM 925 O GLU A 425 15.792 8.103 -5.425 1.00 0.00 O ATOM 926 CB GLU A 425 15.738 9.282 -2.276 1.00 0.00 C ATOM 927 CG GLU A 425 16.090 10.554 -1.523 1.00 0.00 C ATOM 928 CD GLU A 425 17.208 10.348 -0.520 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.379 10.264 -0.946 1.00 0.00 O ATOM 930 OE2 GLU A 425 16.913 10.269 0.691 1.00 0.00 O ATOM 0 H GLU A 425 13.463 10.210 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 425 15.661 10.280 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.067 8.680 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.645 8.696 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 425 16.384 11.324 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 425 15.205 10.921 -1.004 1.00 0.00 H new ATOM 937 N PHE A 426 14.205 7.311 -4.040 1.00 0.00 N ATOM 938 CA PHE A 426 14.086 6.032 -4.731 1.00 0.00 C ATOM 939 C PHE A 426 13.780 6.240 -6.212 1.00 0.00 C ATOM 940 O PHE A 426 14.406 5.629 -7.077 1.00 0.00 O ATOM 941 CB PHE A 426 12.990 5.180 -4.087 1.00 0.00 C ATOM 942 CG PHE A 426 12.581 4.000 -4.921 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.512 3.047 -5.302 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.265 3.844 -5.324 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.138 1.960 -6.069 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.885 2.758 -6.091 1.00 0.00 C ATOM 947 CZ PHE A 426 11.823 1.816 -6.464 1.00 0.00 C ATOM 0 H PHE A 426 13.588 7.414 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 426 15.039 5.511 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.339 4.826 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.116 5.805 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.542 3.155 -4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.528 4.579 -5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.873 1.224 -6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.856 2.647 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.528 0.968 -7.064 1.00 0.00 H new ATOM 957 N GLU A 427 12.813 7.107 -6.494 1.00 0.00 N ATOM 958 CA GLU A 427 12.423 7.394 -7.869 1.00 0.00 C ATOM 959 C GLU A 427 13.616 7.892 -8.680 1.00 0.00 C ATOM 960 O GLU A 427 13.924 7.355 -9.744 1.00 0.00 O ATOM 961 CB GLU A 427 11.303 8.436 -7.898 1.00 0.00 C ATOM 962 CG GLU A 427 9.992 7.937 -7.313 1.00 0.00 C ATOM 963 CD GLU A 427 8.860 8.931 -7.486 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.147 10.135 -7.650 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.687 8.504 -7.459 1.00 0.00 O ATOM 0 H GLU A 427 12.286 7.622 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 427 12.061 6.469 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.625 9.319 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 427 11.136 8.749 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.720 6.996 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 427 10.128 7.728 -6.252 1.00 0.00 H new ATOM 972 N SER A 428 14.283 8.922 -8.170 1.00 0.00 N ATOM 973 CA SER A 428 15.439 9.495 -8.848 1.00 0.00 C ATOM 974 C SER A 428 16.305 8.401 -9.466 1.00 0.00 C ATOM 975 O SER A 428 16.742 8.511 -10.612 1.00 0.00 O ATOM 976 CB SER A 428 16.271 10.327 -7.869 1.00 0.00 C ATOM 977 OG SER A 428 17.304 11.025 -8.543 1.00 0.00 O ATOM 0 H SER A 428 14.042 9.377 -7.289 1.00 0.00 H new ATOM 0 HA SER A 428 15.076 10.142 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.626 11.037 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.703 9.676 -7.109 1.00 0.00 H new ATOM 0 HG SER A 428 17.820 11.550 -7.896 1.00 0.00 H new ATOM 983 N LEU A 429 16.549 7.345 -8.698 1.00 0.00 N ATOM 984 CA LEU A 429 17.362 6.229 -9.168 1.00 0.00 C ATOM 985 C LEU A 429 16.788 5.639 -10.452 1.00 0.00 C ATOM 986 O LEU A 429 17.458 5.605 -11.484 1.00 0.00 O ATOM 987 CB LEU A 429 17.449 5.146 -8.091 1.00 0.00 C ATOM 988 CG LEU A 429 18.604 5.279 -7.097 1.00 0.00 C ATOM 989 CD1 LEU A 429 18.380 6.465 -6.173 1.00 0.00 C ATOM 990 CD2 LEU A 429 18.766 3.997 -6.293 1.00 0.00 C ATOM 0 H LEU A 429 16.196 7.238 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 429 18.363 6.605 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 429 16.513 5.142 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 429 17.530 4.177 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 429 19.522 5.451 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 429 19.212 6.543 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 429 18.315 7.379 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.452 6.324 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 429 19.592 4.110 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 429 17.847 3.794 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 429 18.975 3.168 -6.969 1.00 0.00 H new ATOM 1002 N GLN A 430 15.543 5.179 -10.381 1.00 0.00 N ATOM 1003 CA GLN A 430 14.879 4.592 -11.539 1.00 0.00 C ATOM 1004 C GLN A 430 14.222 5.671 -12.394 1.00 0.00 C ATOM 1005 O GLN A 430 13.378 6.429 -11.915 1.00 0.00 O ATOM 1006 CB GLN A 430 13.831 3.573 -11.089 1.00 0.00 C ATOM 1007 CG GLN A 430 12.958 4.061 -9.945 1.00 0.00 C ATOM 1008 CD GLN A 430 11.739 3.187 -9.726 1.00 0.00 C ATOM 1009 OE1 GLN A 430 11.856 1.982 -9.502 1.00 0.00 O ATOM 1010 NE2 GLN A 430 10.558 3.791 -9.791 1.00 0.00 N ATOM 0 H GLN A 430 14.974 5.201 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 430 15.633 4.086 -12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.195 3.320 -11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.336 2.656 -10.784 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.549 4.090 -9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.636 5.082 -10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 430 10.507 4.792 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 430 9.702 3.254 -9.653 1.00 0.00 H new ATOM 1019 N VAL A 431 14.615 5.735 -13.662 1.00 0.00 N ATOM 1020 CA VAL A 431 14.064 6.721 -14.584 1.00 0.00 C ATOM 1021 C VAL A 431 12.540 6.724 -14.539 1.00 0.00 C ATOM 1022 O VAL A 431 11.912 7.782 -14.516 1.00 0.00 O ATOM 1023 CB VAL A 431 14.524 6.455 -16.030 1.00 0.00 C ATOM 1024 CG1 VAL A 431 13.907 7.468 -16.981 1.00 0.00 C ATOM 1025 CG2 VAL A 431 16.042 6.483 -16.120 1.00 0.00 C ATOM 0 H VAL A 431 15.313 5.116 -14.074 1.00 0.00 H new ATOM 0 HA VAL A 431 14.436 7.695 -14.266 1.00 0.00 H new ATOM 0 HB VAL A 431 14.184 5.462 -16.324 1.00 0.00 H new ATOM 0 HG11 VAL A 431 14.243 7.264 -17.998 1.00 0.00 H new ATOM 0 HG12 VAL A 431 12.820 7.394 -16.937 1.00 0.00 H new ATOM 0 HG13 VAL A 431 14.214 8.473 -16.692 1.00 0.00 H new ATOM 0 HG21 VAL A 431 16.349 6.293 -17.148 1.00 0.00 H new ATOM 0 HG22 VAL A 431 16.407 7.461 -15.807 1.00 0.00 H new ATOM 0 HG23 VAL A 431 16.459 5.715 -15.469 1.00 0.00 H new TER 1035 VAL A 431