USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 385 HIS :FLIP no HD1:sc= -0.233 F(o=-0.39,f=0.46) USER MOD Set 1.2: A 396 THR OG1 : rot -88:sc= 0.692 USER MOD Set 2.1: A 386 THR OG1 : rot 104:sc= 0.00896 USER MOD Set 2.2: A 397 HIS : no HD1:sc= 0.00907 X(o=0.018,f=-0.011) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 SER OG : rot 19:sc= 0.204 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 : amide:sc= -0.792 K(o=-0.79,f=-3!) 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 146:sc= 0.919 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 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot -171:sc= -3.23! USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 422 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.7 K(o=-1.7,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 21.091 13.074 -2.490 1.00 0.00 N ATOM 2 CA GLY A 364 21.877 12.618 -1.358 1.00 0.00 C ATOM 3 C GLY A 364 21.298 13.070 -0.032 1.00 0.00 C ATOM 4 O GLY A 364 21.876 13.917 0.649 1.00 0.00 O ATOM 0 HA2 GLY A 364 21.934 11.530 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 364 22.896 12.992 -1.453 1.00 0.00 H new ATOM 8 N SER A 365 20.152 12.504 0.335 1.00 0.00 N ATOM 9 CA SER A 365 19.492 12.858 1.586 1.00 0.00 C ATOM 10 C SER A 365 19.964 11.957 2.723 1.00 0.00 C ATOM 11 O SER A 365 19.903 10.731 2.625 1.00 0.00 O ATOM 12 CB SER A 365 17.973 12.753 1.434 1.00 0.00 C ATOM 13 OG SER A 365 17.307 13.463 2.463 1.00 0.00 O ATOM 0 H SER A 365 19.662 11.799 -0.216 1.00 0.00 H new ATOM 0 HA SER A 365 19.755 13.888 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 365 17.673 13.148 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 365 17.674 11.705 1.458 1.00 0.00 H new ATOM 0 HG SER A 365 16.338 13.382 2.342 1.00 0.00 H new ATOM 19 N SER A 366 20.434 12.573 3.803 1.00 0.00 N ATOM 20 CA SER A 366 20.920 11.828 4.958 1.00 0.00 C ATOM 21 C SER A 366 20.667 12.601 6.249 1.00 0.00 C ATOM 22 O SER A 366 20.894 13.809 6.317 1.00 0.00 O ATOM 23 CB SER A 366 22.414 11.534 4.810 1.00 0.00 C ATOM 24 OG SER A 366 22.633 10.420 3.962 1.00 0.00 O ATOM 0 H SER A 366 20.488 13.587 3.902 1.00 0.00 H new ATOM 0 HA SER A 366 20.375 10.885 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 366 22.922 12.409 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 366 22.848 11.340 5.791 1.00 0.00 H new ATOM 0 HG SER A 366 21.832 10.258 3.421 1.00 0.00 H new ATOM 30 N GLY A 367 20.196 11.895 7.272 1.00 0.00 N ATOM 31 CA GLY A 367 19.920 12.530 8.547 1.00 0.00 C ATOM 32 C GLY A 367 18.627 12.042 9.171 1.00 0.00 C ATOM 33 O GLY A 367 17.645 11.799 8.470 1.00 0.00 O ATOM 0 H GLY A 367 20.001 10.894 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 367 20.746 12.337 9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 367 19.868 13.610 8.408 1.00 0.00 H new ATOM 37 N SER A 368 18.627 11.896 10.492 1.00 0.00 N ATOM 38 CA SER A 368 17.447 11.427 11.209 1.00 0.00 C ATOM 39 C SER A 368 17.131 12.340 12.390 1.00 0.00 C ATOM 40 O SER A 368 18.033 12.885 13.026 1.00 0.00 O ATOM 41 CB SER A 368 17.659 9.994 11.700 1.00 0.00 C ATOM 42 OG SER A 368 16.430 9.291 11.767 1.00 0.00 O ATOM 0 H SER A 368 19.431 12.096 11.087 1.00 0.00 H new ATOM 0 HA SER A 368 16.602 11.446 10.521 1.00 0.00 H new ATOM 0 HB2 SER A 368 18.343 9.474 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 368 18.127 10.009 12.684 1.00 0.00 H new ATOM 0 HG SER A 368 16.593 8.377 12.082 1.00 0.00 H new ATOM 48 N SER A 369 15.844 12.502 12.677 1.00 0.00 N ATOM 49 CA SER A 369 15.407 13.351 13.778 1.00 0.00 C ATOM 50 C SER A 369 15.712 12.698 15.123 1.00 0.00 C ATOM 51 O SER A 369 16.005 11.505 15.194 1.00 0.00 O ATOM 52 CB SER A 369 13.908 13.638 13.666 1.00 0.00 C ATOM 53 OG SER A 369 13.571 14.088 12.365 1.00 0.00 O ATOM 0 H SER A 369 15.085 12.056 12.162 1.00 0.00 H new ATOM 0 HA SER A 369 15.955 14.291 13.718 1.00 0.00 H new ATOM 0 HB2 SER A 369 13.343 12.736 13.900 1.00 0.00 H new ATOM 0 HB3 SER A 369 13.623 14.392 14.400 1.00 0.00 H new ATOM 0 HG SER A 369 12.608 14.263 12.319 1.00 0.00 H new ATOM 59 N GLY A 370 15.640 13.489 16.189 1.00 0.00 N ATOM 60 CA GLY A 370 15.911 12.971 17.517 1.00 0.00 C ATOM 61 C GLY A 370 17.214 12.200 17.584 1.00 0.00 C ATOM 62 O GLY A 370 18.069 12.335 16.709 1.00 0.00 O ATOM 0 H GLY A 370 15.399 14.480 16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 370 15.945 13.798 18.226 1.00 0.00 H new ATOM 0 HA3 GLY A 370 15.092 12.321 17.824 1.00 0.00 H new ATOM 66 N ASN A 371 17.367 11.389 18.625 1.00 0.00 N ATOM 67 CA ASN A 371 18.577 10.594 18.804 1.00 0.00 C ATOM 68 C ASN A 371 18.449 9.244 18.105 1.00 0.00 C ATOM 69 O ASN A 371 17.387 8.620 18.095 1.00 0.00 O ATOM 70 CB ASN A 371 18.860 10.385 20.293 1.00 0.00 C ATOM 71 CG ASN A 371 17.997 9.295 20.898 1.00 0.00 C ATOM 72 OD1 ASN A 371 18.355 8.117 20.870 1.00 0.00 O ATOM 73 ND2 ASN A 371 16.853 9.684 21.450 1.00 0.00 N ATOM 0 H ASN A 371 16.668 11.265 19.358 1.00 0.00 H new ATOM 0 HA ASN A 371 19.409 11.138 18.356 1.00 0.00 H new ATOM 0 HB2 ASN A 371 19.911 10.129 20.428 1.00 0.00 H new ATOM 0 HB3 ASN A 371 18.688 11.319 20.827 1.00 0.00 H new ATOM 0 HD21 ASN A 371 16.231 8.995 21.873 1.00 0.00 H new ATOM 0 HD22 ASN A 371 16.597 10.671 21.450 1.00 0.00 H new ATOM 80 N PRO A 372 19.556 8.780 17.507 1.00 0.00 N ATOM 81 CA PRO A 372 19.594 7.498 16.796 1.00 0.00 C ATOM 82 C PRO A 372 19.488 6.307 17.742 1.00 0.00 C ATOM 83 O PRO A 372 20.496 5.802 18.235 1.00 0.00 O ATOM 84 CB PRO A 372 20.962 7.515 16.109 1.00 0.00 C ATOM 85 CG PRO A 372 21.795 8.424 16.944 1.00 0.00 C ATOM 86 CD PRO A 372 20.857 9.470 17.480 1.00 0.00 C ATOM 0 HA PRO A 372 18.756 7.389 16.107 1.00 0.00 H new ATOM 0 HB2 PRO A 372 21.393 6.515 16.062 1.00 0.00 H new ATOM 0 HB3 PRO A 372 20.886 7.878 15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 372 22.275 7.878 17.756 1.00 0.00 H new ATOM 0 HG3 PRO A 372 22.589 8.879 16.352 1.00 0.00 H new ATOM 0 HD2 PRO A 372 21.155 9.805 18.473 1.00 0.00 H new ATOM 0 HD3 PRO A 372 20.831 10.352 16.840 1.00 0.00 H new ATOM 94 N ASP A 373 18.260 5.863 17.990 1.00 0.00 N ATOM 95 CA ASP A 373 18.022 4.729 18.876 1.00 0.00 C ATOM 96 C ASP A 373 17.284 3.613 18.144 1.00 0.00 C ATOM 97 O ASP A 373 17.778 2.490 18.044 1.00 0.00 O ATOM 98 CB ASP A 373 17.219 5.171 20.100 1.00 0.00 C ATOM 99 CG ASP A 373 16.883 4.014 21.021 1.00 0.00 C ATOM 100 OD1 ASP A 373 17.801 3.235 21.354 1.00 0.00 O ATOM 101 OD2 ASP A 373 15.703 3.889 21.409 1.00 0.00 O ATOM 0 H ASP A 373 17.415 6.271 17.590 1.00 0.00 H new ATOM 0 HA ASP A 373 18.989 4.346 19.204 1.00 0.00 H new ATOM 0 HB2 ASP A 373 17.787 5.919 20.653 1.00 0.00 H new ATOM 0 HB3 ASP A 373 16.297 5.650 19.772 1.00 0.00 H new ATOM 106 N TYR A 374 16.099 3.929 17.634 1.00 0.00 N ATOM 107 CA TYR A 374 15.291 2.952 16.914 1.00 0.00 C ATOM 108 C TYR A 374 15.089 3.376 15.462 1.00 0.00 C ATOM 109 O TYR A 374 14.097 4.022 15.124 1.00 0.00 O ATOM 110 CB TYR A 374 13.935 2.776 17.599 1.00 0.00 C ATOM 111 CG TYR A 374 12.966 1.922 16.813 1.00 0.00 C ATOM 112 CD1 TYR A 374 13.306 0.633 16.421 1.00 0.00 C ATOM 113 CD2 TYR A 374 11.710 2.403 16.464 1.00 0.00 C ATOM 114 CE1 TYR A 374 12.424 -0.151 15.702 1.00 0.00 C ATOM 115 CE2 TYR A 374 10.821 1.626 15.747 1.00 0.00 C ATOM 116 CZ TYR A 374 11.183 0.350 15.368 1.00 0.00 C ATOM 117 OH TYR A 374 10.301 -0.428 14.654 1.00 0.00 O ATOM 0 H TYR A 374 15.676 4.855 17.706 1.00 0.00 H new ATOM 0 HA TYR A 374 15.822 2.000 16.925 1.00 0.00 H new ATOM 0 HB2 TYR A 374 14.089 2.327 18.580 1.00 0.00 H new ATOM 0 HB3 TYR A 374 13.490 3.757 17.764 1.00 0.00 H new ATOM 0 HD1 TYR A 374 14.276 0.237 16.683 1.00 0.00 H new ATOM 0 HD2 TYR A 374 11.424 3.402 16.758 1.00 0.00 H new ATOM 0 HE1 TYR A 374 12.705 -1.150 15.403 1.00 0.00 H new ATOM 0 HE2 TYR A 374 9.848 2.015 15.485 1.00 0.00 H new ATOM 0 HH TYR A 374 9.472 0.072 14.502 1.00 0.00 H new ATOM 127 N VAL A 375 16.038 3.008 14.607 1.00 0.00 N ATOM 128 CA VAL A 375 15.965 3.347 13.191 1.00 0.00 C ATOM 129 C VAL A 375 14.529 3.287 12.685 1.00 0.00 C ATOM 130 O VAL A 375 13.776 2.378 13.033 1.00 0.00 O ATOM 131 CB VAL A 375 16.837 2.403 12.342 1.00 0.00 C ATOM 132 CG1 VAL A 375 16.606 2.651 10.859 1.00 0.00 C ATOM 133 CG2 VAL A 375 18.307 2.573 12.696 1.00 0.00 C ATOM 0 H VAL A 375 16.867 2.475 14.871 1.00 0.00 H new ATOM 0 HA VAL A 375 16.340 4.365 13.090 1.00 0.00 H new ATOM 0 HB VAL A 375 16.550 1.375 12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 375 17.231 1.975 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 375 15.557 2.474 10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 375 16.864 3.682 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 375 18.908 1.898 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 375 18.611 3.602 12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 375 18.457 2.340 13.750 1.00 0.00 H new ATOM 143 N GLU A 376 14.156 4.262 11.861 1.00 0.00 N ATOM 144 CA GLU A 376 12.808 4.319 11.307 1.00 0.00 C ATOM 145 C GLU A 376 12.752 3.638 9.943 1.00 0.00 C ATOM 146 O GLU A 376 11.902 2.781 9.699 1.00 0.00 O ATOM 147 CB GLU A 376 12.346 5.773 11.183 1.00 0.00 C ATOM 148 CG GLU A 376 11.747 6.332 12.463 1.00 0.00 C ATOM 149 CD GLU A 376 11.827 7.844 12.532 1.00 0.00 C ATOM 150 OE1 GLU A 376 12.867 8.404 12.127 1.00 0.00 O ATOM 151 OE2 GLU A 376 10.848 8.469 12.991 1.00 0.00 O ATOM 0 H GLU A 376 14.768 5.022 11.563 1.00 0.00 H new ATOM 0 HA GLU A 376 12.140 3.789 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 376 13.194 6.391 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 376 11.607 5.844 10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 376 10.704 6.023 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 376 12.267 5.905 13.320 1.00 0.00 H new ATOM 158 N VAL A 377 13.663 4.026 9.056 1.00 0.00 N ATOM 159 CA VAL A 377 13.717 3.453 7.716 1.00 0.00 C ATOM 160 C VAL A 377 15.086 3.670 7.081 1.00 0.00 C ATOM 161 O VAL A 377 15.472 4.801 6.785 1.00 0.00 O ATOM 162 CB VAL A 377 12.637 4.061 6.801 1.00 0.00 C ATOM 163 CG1 VAL A 377 12.923 3.729 5.345 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.257 3.568 7.208 1.00 0.00 C ATOM 0 H VAL A 377 14.373 4.734 9.241 1.00 0.00 H new ATOM 0 HA VAL A 377 13.533 2.384 7.821 1.00 0.00 H new ATOM 0 HB VAL A 377 12.658 5.145 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.150 4.167 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 377 13.895 4.135 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.930 2.647 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 377 10.506 4.007 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.220 2.482 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.055 3.862 8.238 1.00 0.00 H new ATOM 174 N ASP A 378 15.816 2.580 6.874 1.00 0.00 N ATOM 175 CA ASP A 378 17.142 2.650 6.272 1.00 0.00 C ATOM 176 C ASP A 378 17.060 3.150 4.833 1.00 0.00 C ATOM 177 O ASP A 378 17.710 4.129 4.468 1.00 0.00 O ATOM 178 CB ASP A 378 17.817 1.278 6.311 1.00 0.00 C ATOM 179 CG ASP A 378 19.330 1.376 6.318 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.896 1.886 5.328 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.947 0.945 7.314 1.00 0.00 O ATOM 0 H ASP A 378 15.512 1.637 7.114 1.00 0.00 H new ATOM 0 HA ASP A 378 17.739 3.356 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 378 17.487 0.739 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.498 0.695 5.447 1.00 0.00 H new ATOM 186 N ARG A 379 16.259 2.469 4.021 1.00 0.00 N ATOM 187 CA ARG A 379 16.094 2.842 2.621 1.00 0.00 C ATOM 188 C ARG A 379 14.975 2.033 1.971 1.00 0.00 C ATOM 189 O ARG A 379 14.426 1.114 2.579 1.00 0.00 O ATOM 190 CB ARG A 379 17.402 2.630 1.857 1.00 0.00 C ATOM 191 CG ARG A 379 17.789 1.167 1.706 1.00 0.00 C ATOM 192 CD ARG A 379 18.735 0.959 0.534 1.00 0.00 C ATOM 193 NE ARG A 379 20.108 1.330 0.866 1.00 0.00 N ATOM 194 CZ ARG A 379 21.170 0.887 0.202 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.017 0.064 -0.826 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.388 1.270 0.565 1.00 0.00 N ATOM 0 H ARG A 379 15.714 1.656 4.308 1.00 0.00 H new ATOM 0 HA ARG A 379 15.826 3.898 2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.311 3.077 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.204 3.158 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.263 0.818 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.892 0.565 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.706 -0.086 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.395 1.551 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 379 20.260 1.964 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.082 -0.230 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 379 21.834 -0.275 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.509 1.905 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.203 0.929 0.055 1.00 0.00 H new ATOM 210 N ILE A 380 14.643 2.382 0.732 1.00 0.00 N ATOM 211 CA ILE A 380 13.591 1.688 0.000 1.00 0.00 C ATOM 212 C ILE A 380 14.178 0.672 -0.974 1.00 0.00 C ATOM 213 O ILE A 380 15.141 0.961 -1.685 1.00 0.00 O ATOM 214 CB ILE A 380 12.702 2.675 -0.779 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.188 3.776 0.151 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.541 1.941 -1.432 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.295 4.782 -0.540 1.00 0.00 C ATOM 0 H ILE A 380 15.087 3.141 0.215 1.00 0.00 H new ATOM 0 HA ILE A 380 12.981 1.169 0.740 1.00 0.00 H new ATOM 0 HB ILE A 380 13.300 3.138 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.638 3.318 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.039 4.298 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.922 2.652 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.927 1.191 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.941 1.453 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.968 5.533 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.848 5.267 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.425 4.272 -0.954 1.00 0.00 H new ATOM 229 N LEU A 381 13.590 -0.519 -1.002 1.00 0.00 N ATOM 230 CA LEU A 381 14.052 -1.580 -1.891 1.00 0.00 C ATOM 231 C LEU A 381 13.310 -1.537 -3.222 1.00 0.00 C ATOM 232 O LEU A 381 13.904 -1.272 -4.267 1.00 0.00 O ATOM 233 CB LEU A 381 13.860 -2.946 -1.230 1.00 0.00 C ATOM 234 CG LEU A 381 14.870 -3.314 -0.142 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.336 -4.446 0.721 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.205 -3.698 -0.762 1.00 0.00 C ATOM 0 H LEU A 381 12.793 -0.774 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 381 15.113 -1.423 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.861 -2.980 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.897 -3.711 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 381 15.024 -2.442 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.068 -4.694 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.405 -4.135 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.152 -5.322 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.911 -3.957 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.067 -4.555 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.594 -2.858 -1.337 1.00 0.00 H new ATOM 248 N GLU A 382 12.007 -1.798 -3.176 1.00 0.00 N ATOM 249 CA GLU A 382 11.184 -1.788 -4.380 1.00 0.00 C ATOM 250 C GLU A 382 9.791 -1.239 -4.082 1.00 0.00 C ATOM 251 O GLU A 382 9.447 -0.982 -2.928 1.00 0.00 O ATOM 252 CB GLU A 382 11.074 -3.199 -4.961 1.00 0.00 C ATOM 253 CG GLU A 382 12.212 -3.560 -5.901 1.00 0.00 C ATOM 254 CD GLU A 382 12.401 -5.059 -6.038 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.245 -5.772 -5.026 1.00 0.00 O ATOM 256 OE2 GLU A 382 12.705 -5.517 -7.160 1.00 0.00 O ATOM 0 H GLU A 382 11.499 -2.019 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 382 11.664 -1.138 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.047 -3.919 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.129 -3.290 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.017 -3.131 -6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 382 13.136 -3.113 -5.535 1.00 0.00 H new ATOM 263 N VAL A 383 8.995 -1.061 -5.131 1.00 0.00 N ATOM 264 CA VAL A 383 7.640 -0.543 -4.983 1.00 0.00 C ATOM 265 C VAL A 383 6.633 -1.420 -5.717 1.00 0.00 C ATOM 266 O VAL A 383 6.838 -1.783 -6.875 1.00 0.00 O ATOM 267 CB VAL A 383 7.529 0.900 -5.512 1.00 0.00 C ATOM 268 CG1 VAL A 383 8.039 0.984 -6.943 1.00 0.00 C ATOM 269 CG2 VAL A 383 6.093 1.392 -5.419 1.00 0.00 C ATOM 0 H VAL A 383 9.265 -1.268 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 383 7.414 -0.550 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 383 8.151 1.546 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.953 2.010 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 383 9.084 0.675 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 383 7.446 0.327 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 383 6.033 2.413 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.448 0.746 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.768 1.370 -4.379 1.00 0.00 H new ATOM 279 N ALA A 384 5.543 -1.758 -5.036 1.00 0.00 N ATOM 280 CA ALA A 384 4.502 -2.591 -5.624 1.00 0.00 C ATOM 281 C ALA A 384 3.117 -2.007 -5.362 1.00 0.00 C ATOM 282 O ALA A 384 2.833 -1.525 -4.266 1.00 0.00 O ATOM 283 CB ALA A 384 4.590 -4.009 -5.079 1.00 0.00 C ATOM 0 H ALA A 384 5.358 -1.467 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 384 4.659 -2.617 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.806 -4.620 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.564 -4.433 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.462 -3.991 -3.997 1.00 0.00 H new ATOM 289 N HIS A 385 2.259 -2.053 -6.377 1.00 0.00 N ATOM 290 CA HIS A 385 0.904 -1.527 -6.256 1.00 0.00 C ATOM 291 C HIS A 385 -0.114 -2.662 -6.182 1.00 0.00 C ATOM 292 O HIS A 385 -0.041 -3.626 -6.944 1.00 0.00 O ATOM 293 CB HIS A 385 0.581 -0.613 -7.438 1.00 0.00 C ATOM 294 CG HIS A 385 1.464 0.594 -7.520 1.00 0.00 C ATOM 295 ND1 HIS A 385 1.176 1.911 -7.405 1.00 0.00 N flip ATOM 296 CD2 HIS A 385 2.822 0.519 -7.748 1.00 0.00 C flip ATOM 297 CE1 HIS A 385 2.352 2.601 -7.563 1.00 0.00 C flip ATOM 298 NE2 HIS A 385 3.331 1.738 -7.768 1.00 0.00 N flip ATOM 0 H HIS A 385 2.478 -2.449 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 385 0.846 -0.949 -5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.672 -1.183 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.457 -0.289 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.382 -0.394 -7.888 1.00 0.00 H new ATOM 0 HE1 HIS A 385 2.459 3.675 -7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.312 1.973 -7.916 1.00 0.00 H new ATOM 306 N THR A 386 -1.062 -2.540 -5.258 1.00 0.00 N ATOM 307 CA THR A 386 -2.093 -3.555 -5.083 1.00 0.00 C ATOM 308 C THR A 386 -3.465 -2.919 -4.891 1.00 0.00 C ATOM 309 O THR A 386 -3.580 -1.818 -4.352 1.00 0.00 O ATOM 310 CB THR A 386 -1.788 -4.464 -3.878 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.372 -4.587 -3.703 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.402 -5.842 -4.069 1.00 0.00 C ATOM 0 H THR A 386 -1.137 -1.748 -4.619 1.00 0.00 H new ATOM 0 HA THR A 386 -2.099 -4.158 -5.991 1.00 0.00 H new ATOM 0 HB THR A 386 -2.226 -4.010 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.086 -4.033 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.173 -6.465 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.483 -5.748 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 386 -1.991 -6.302 -4.968 1.00 0.00 H new ATOM 320 N LYS A 387 -4.504 -3.618 -5.334 1.00 0.00 N ATOM 321 CA LYS A 387 -5.870 -3.123 -5.210 1.00 0.00 C ATOM 322 C LYS A 387 -6.758 -4.147 -4.512 1.00 0.00 C ATOM 323 O LYS A 387 -6.738 -5.331 -4.848 1.00 0.00 O ATOM 324 CB LYS A 387 -6.442 -2.791 -6.590 1.00 0.00 C ATOM 325 CG LYS A 387 -6.710 -4.016 -7.447 1.00 0.00 C ATOM 326 CD LYS A 387 -7.371 -3.642 -8.763 1.00 0.00 C ATOM 327 CE LYS A 387 -8.874 -3.467 -8.602 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.594 -3.639 -9.894 1.00 0.00 N ATOM 0 H LYS A 387 -4.426 -4.531 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.848 -2.216 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.371 -2.235 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -5.746 -2.136 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -5.772 -4.535 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.350 -4.710 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -6.934 -2.718 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.171 -4.415 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.248 -4.191 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.083 -2.476 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.615 -3.512 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.255 -2.932 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.415 -4.593 -10.267 1.00 0.00 H new ATOM 342 N ASP A 388 -7.538 -3.683 -3.541 1.00 0.00 N ATOM 343 CA ASP A 388 -8.436 -4.559 -2.798 1.00 0.00 C ATOM 344 C ASP A 388 -9.527 -5.117 -3.707 1.00 0.00 C ATOM 345 O ASP A 388 -9.530 -4.870 -4.912 1.00 0.00 O ATOM 346 CB ASP A 388 -9.067 -3.803 -1.628 1.00 0.00 C ATOM 347 CG ASP A 388 -9.424 -4.718 -0.472 1.00 0.00 C ATOM 348 OD1 ASP A 388 -8.516 -5.065 0.311 1.00 0.00 O ATOM 349 OD2 ASP A 388 -10.611 -5.087 -0.352 1.00 0.00 O ATOM 0 H ASP A 388 -7.566 -2.706 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.851 -5.393 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.376 -3.036 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.965 -3.290 -1.973 1.00 0.00 H new ATOM 354 N ALA A 389 -10.451 -5.870 -3.120 1.00 0.00 N ATOM 355 CA ALA A 389 -11.547 -6.462 -3.877 1.00 0.00 C ATOM 356 C ALA A 389 -12.886 -5.859 -3.466 1.00 0.00 C ATOM 357 O ALA A 389 -13.726 -5.556 -4.312 1.00 0.00 O ATOM 358 CB ALA A 389 -11.566 -7.972 -3.687 1.00 0.00 C ATOM 0 H ALA A 389 -10.463 -6.085 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.387 -6.242 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.390 -8.400 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.624 -8.395 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.698 -8.204 -2.630 1.00 0.00 H new ATOM 364 N GLU A 390 -13.078 -5.690 -2.161 1.00 0.00 N ATOM 365 CA GLU A 390 -14.317 -5.124 -1.639 1.00 0.00 C ATOM 366 C GLU A 390 -14.547 -3.719 -2.189 1.00 0.00 C ATOM 367 O GLU A 390 -15.537 -3.463 -2.875 1.00 0.00 O ATOM 368 CB GLU A 390 -14.282 -5.086 -0.110 1.00 0.00 C ATOM 369 CG GLU A 390 -14.765 -6.371 0.542 1.00 0.00 C ATOM 370 CD GLU A 390 -15.368 -6.138 1.913 1.00 0.00 C ATOM 371 OE1 GLU A 390 -16.362 -5.387 2.004 1.00 0.00 O ATOM 372 OE2 GLU A 390 -14.846 -6.706 2.896 1.00 0.00 O ATOM 0 H GLU A 390 -12.393 -5.937 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.141 -5.761 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.262 -4.884 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.899 -4.258 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -15.507 -6.844 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -13.930 -7.066 0.630 1.00 0.00 H new ATOM 379 N THR A 391 -13.626 -2.811 -1.881 1.00 0.00 N ATOM 380 CA THR A 391 -13.729 -1.432 -2.341 1.00 0.00 C ATOM 381 C THR A 391 -12.920 -1.216 -3.616 1.00 0.00 C ATOM 382 O THR A 391 -12.967 -0.145 -4.218 1.00 0.00 O ATOM 383 CB THR A 391 -13.243 -0.443 -1.265 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.946 -0.827 -0.796 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.216 -0.395 -0.097 1.00 0.00 C ATOM 0 H THR A 391 -12.800 -3.006 -1.315 1.00 0.00 H new ATOM 0 HA THR A 391 -14.783 -1.245 -2.546 1.00 0.00 H new ATOM 0 HB THR A 391 -13.187 0.549 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.423 -0.025 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 391 -13.852 0.310 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.195 -0.074 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.299 -1.386 0.349 1.00 0.00 H new ATOM 393 N GLY A 392 -12.178 -2.242 -4.021 1.00 0.00 N ATOM 394 CA GLY A 392 -11.369 -2.144 -5.222 1.00 0.00 C ATOM 395 C GLY A 392 -10.738 -0.776 -5.386 1.00 0.00 C ATOM 396 O GLY A 392 -10.883 -0.140 -6.429 1.00 0.00 O ATOM 0 H GLY A 392 -12.123 -3.139 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.585 -2.901 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.988 -2.362 -6.092 1.00 0.00 H new ATOM 400 N GLU A 393 -10.037 -0.321 -4.352 1.00 0.00 N ATOM 401 CA GLU A 393 -9.384 0.982 -4.386 1.00 0.00 C ATOM 402 C GLU A 393 -7.944 0.856 -4.872 1.00 0.00 C ATOM 403 O GLU A 393 -7.497 -0.227 -5.247 1.00 0.00 O ATOM 404 CB GLU A 393 -9.411 1.627 -2.999 1.00 0.00 C ATOM 405 CG GLU A 393 -10.794 2.086 -2.567 1.00 0.00 C ATOM 406 CD GLU A 393 -10.874 2.381 -1.082 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.437 1.525 -0.283 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.373 3.466 -0.718 1.00 0.00 O ATOM 0 H GLU A 393 -9.907 -0.835 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.931 1.616 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.030 0.914 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.735 2.482 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.067 2.981 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.524 1.317 -2.821 1.00 0.00 H new ATOM 415 N GLU A 394 -7.222 1.973 -4.863 1.00 0.00 N ATOM 416 CA GLU A 394 -5.833 1.988 -5.305 1.00 0.00 C ATOM 417 C GLU A 394 -4.884 2.071 -4.113 1.00 0.00 C ATOM 418 O GLU A 394 -4.613 3.154 -3.595 1.00 0.00 O ATOM 419 CB GLU A 394 -5.587 3.166 -6.250 1.00 0.00 C ATOM 420 CG GLU A 394 -6.455 4.377 -5.951 1.00 0.00 C ATOM 421 CD GLU A 394 -7.841 4.265 -6.556 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.936 3.976 -7.767 1.00 0.00 O ATOM 423 OE2 GLU A 394 -8.829 4.468 -5.820 1.00 0.00 O ATOM 0 H GLU A 394 -7.576 2.878 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.639 1.058 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.538 3.457 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.769 2.843 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -6.543 4.499 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.967 5.273 -6.334 1.00 0.00 H new ATOM 430 N VAL A 395 -4.382 0.918 -3.682 1.00 0.00 N ATOM 431 CA VAL A 395 -3.463 0.859 -2.551 1.00 0.00 C ATOM 432 C VAL A 395 -2.037 0.585 -3.016 1.00 0.00 C ATOM 433 O VAL A 395 -1.748 -0.467 -3.586 1.00 0.00 O ATOM 434 CB VAL A 395 -3.881 -0.229 -1.545 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.037 -0.141 -0.282 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.361 -0.111 -1.216 1.00 0.00 C ATOM 0 H VAL A 395 -4.596 0.012 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.502 1.831 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.711 -1.205 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.347 -0.918 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.986 -0.280 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.173 0.837 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.638 -0.888 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.560 0.868 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.947 -0.229 -2.128 1.00 0.00 H new ATOM 446 N THR A 396 -1.146 1.541 -2.769 1.00 0.00 N ATOM 447 CA THR A 396 0.250 1.404 -3.162 1.00 0.00 C ATOM 448 C THR A 396 1.113 0.963 -1.985 1.00 0.00 C ATOM 449 O THR A 396 1.096 1.586 -0.922 1.00 0.00 O ATOM 450 CB THR A 396 0.807 2.725 -3.725 1.00 0.00 C ATOM 451 OG1 THR A 396 0.015 3.156 -4.837 1.00 0.00 O ATOM 452 CG2 THR A 396 2.255 2.560 -4.162 1.00 0.00 C ATOM 0 H THR A 396 -1.367 2.418 -2.298 1.00 0.00 H new ATOM 0 HA THR A 396 0.285 0.642 -3.940 1.00 0.00 H new ATOM 0 HB THR A 396 0.765 3.476 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.363 2.756 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.626 3.506 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.861 2.260 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.316 1.795 -4.936 1.00 0.00 H new ATOM 460 N HIS A 397 1.867 -0.114 -2.180 1.00 0.00 N ATOM 461 CA HIS A 397 2.738 -0.637 -1.133 1.00 0.00 C ATOM 462 C HIS A 397 4.199 -0.316 -1.431 1.00 0.00 C ATOM 463 O HIS A 397 4.610 -0.266 -2.591 1.00 0.00 O ATOM 464 CB HIS A 397 2.554 -2.149 -0.996 1.00 0.00 C ATOM 465 CG HIS A 397 1.264 -2.539 -0.341 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.047 -2.491 -0.988 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.007 -2.987 0.910 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.903 -2.891 -0.162 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.347 -3.198 0.996 1.00 0.00 N ATOM 0 H HIS A 397 1.893 -0.641 -3.053 1.00 0.00 H new ATOM 0 HA HIS A 397 2.463 -0.158 -0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.601 -2.604 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.383 -2.557 -0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.732 -3.148 1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.956 -2.956 -0.394 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.843 -3.537 1.820 1.00 0.00 H new ATOM 477 N TYR A 398 4.978 -0.097 -0.378 1.00 0.00 N ATOM 478 CA TYR A 398 6.392 0.224 -0.526 1.00 0.00 C ATOM 479 C TYR A 398 7.245 -0.624 0.413 1.00 0.00 C ATOM 480 O TYR A 398 7.078 -0.579 1.632 1.00 0.00 O ATOM 481 CB TYR A 398 6.632 1.709 -0.250 1.00 0.00 C ATOM 482 CG TYR A 398 6.281 2.606 -1.415 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.166 2.787 -2.470 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.063 3.273 -1.461 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.849 3.606 -3.536 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.737 4.094 -2.523 1.00 0.00 C ATOM 487 CZ TYR A 398 5.634 4.257 -3.558 1.00 0.00 C ATOM 488 OH TYR A 398 5.314 5.074 -4.619 1.00 0.00 O ATOM 0 H TYR A 398 4.654 -0.136 0.588 1.00 0.00 H new ATOM 0 HA TYR A 398 6.683 0.001 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.044 2.008 0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.680 1.857 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.119 2.278 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.359 3.147 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.549 3.736 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.786 4.605 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 398 4.422 5.456 -4.481 1.00 0.00 H new ATOM 498 N LEU A 399 8.159 -1.396 -0.164 1.00 0.00 N ATOM 499 CA LEU A 399 9.040 -2.255 0.620 1.00 0.00 C ATOM 500 C LEU A 399 10.038 -1.425 1.420 1.00 0.00 C ATOM 501 O LEU A 399 11.067 -0.997 0.897 1.00 0.00 O ATOM 502 CB LEU A 399 9.786 -3.226 -0.297 1.00 0.00 C ATOM 503 CG LEU A 399 10.600 -4.316 0.401 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.696 -5.199 1.246 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.360 -5.151 -0.621 1.00 0.00 C ATOM 0 H LEU A 399 8.310 -1.445 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 399 8.426 -2.824 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 399 9.060 -3.706 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.458 -2.650 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 399 11.324 -3.836 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.293 -5.969 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.197 -4.592 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.948 -5.670 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.934 -5.922 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.653 -5.621 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 399 12.038 -4.509 -1.184 1.00 0.00 H new ATOM 517 N VAL A 400 9.729 -1.203 2.694 1.00 0.00 N ATOM 518 CA VAL A 400 10.600 -0.427 3.569 1.00 0.00 C ATOM 519 C VAL A 400 11.794 -1.256 4.029 1.00 0.00 C ATOM 520 O VAL A 400 11.641 -2.395 4.469 1.00 0.00 O ATOM 521 CB VAL A 400 9.840 0.089 4.805 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.733 0.991 5.643 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.574 0.820 4.384 1.00 0.00 C ATOM 0 H VAL A 400 8.881 -1.550 3.143 1.00 0.00 H new ATOM 0 HA VAL A 400 10.954 0.425 2.989 1.00 0.00 H new ATOM 0 HB VAL A 400 9.552 -0.766 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.179 1.346 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.607 0.431 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.054 1.843 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.049 1.178 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.837 1.667 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.928 0.139 3.830 1.00 0.00 H new ATOM 533 N LYS A 401 12.985 -0.675 3.926 1.00 0.00 N ATOM 534 CA LYS A 401 14.208 -1.358 4.333 1.00 0.00 C ATOM 535 C LYS A 401 14.777 -0.740 5.606 1.00 0.00 C ATOM 536 O LYS A 401 15.350 0.350 5.575 1.00 0.00 O ATOM 537 CB LYS A 401 15.248 -1.296 3.213 1.00 0.00 C ATOM 538 CG LYS A 401 16.186 -2.490 3.187 1.00 0.00 C ATOM 539 CD LYS A 401 17.293 -2.352 4.219 1.00 0.00 C ATOM 540 CE LYS A 401 18.186 -3.583 4.246 1.00 0.00 C ATOM 541 NZ LYS A 401 17.690 -4.607 5.207 1.00 0.00 N ATOM 0 H LYS A 401 13.129 0.268 3.564 1.00 0.00 H new ATOM 0 HA LYS A 401 13.963 -2.401 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.734 -1.228 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.836 -0.385 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.621 -3.402 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.624 -2.589 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.893 -1.470 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.855 -2.197 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.237 -4.017 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 401 19.200 -3.290 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.326 -5.430 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 17.665 -4.201 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 16.732 -4.905 4.933 1.00 0.00 H new ATOM 555 N TRP A 402 14.618 -1.442 6.722 1.00 0.00 N ATOM 556 CA TRP A 402 15.119 -0.962 8.005 1.00 0.00 C ATOM 557 C TRP A 402 16.065 -1.978 8.635 1.00 0.00 C ATOM 558 O TRP A 402 15.631 -2.892 9.337 1.00 0.00 O ATOM 559 CB TRP A 402 13.955 -0.674 8.954 1.00 0.00 C ATOM 560 CG TRP A 402 12.849 -1.681 8.861 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.957 -2.983 8.462 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.467 -1.468 9.170 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.726 -3.592 8.505 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.796 -2.685 8.937 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.732 -0.370 9.623 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.426 -2.830 9.141 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.373 -0.515 9.825 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.731 -1.737 9.585 1.00 0.00 C ATOM 0 H TRP A 402 14.146 -2.345 6.765 1.00 0.00 H new ATOM 0 HA TRP A 402 15.672 -0.040 7.829 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.328 -0.649 9.978 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.554 0.316 8.736 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.875 -3.463 8.157 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.536 -4.563 8.255 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.218 0.576 9.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.929 -3.771 8.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.795 0.328 10.174 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.667 -1.818 9.753 1.00 0.00 H new ATOM 579 N CYS A 403 17.358 -1.813 8.379 1.00 0.00 N ATOM 580 CA CYS A 403 18.366 -2.718 8.922 1.00 0.00 C ATOM 581 C CYS A 403 17.983 -3.181 10.323 1.00 0.00 C ATOM 582 O CYS A 403 17.993 -4.376 10.618 1.00 0.00 O ATOM 583 CB CYS A 403 19.732 -2.032 8.953 1.00 0.00 C ATOM 584 SG CYS A 403 21.130 -3.175 9.041 1.00 0.00 S ATOM 0 H CYS A 403 17.733 -1.062 7.800 1.00 0.00 H new ATOM 0 HA CYS A 403 18.421 -3.592 8.274 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.837 -1.415 8.061 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.770 -1.361 9.811 1.00 0.00 H new ATOM 0 HG CYS A 403 22.241 -2.501 9.060 1.00 0.00 H new ATOM 590 N SER A 404 17.648 -2.226 11.185 1.00 0.00 N ATOM 591 CA SER A 404 17.267 -2.535 12.559 1.00 0.00 C ATOM 592 C SER A 404 16.521 -3.864 12.629 1.00 0.00 C ATOM 593 O SER A 404 16.799 -4.701 13.489 1.00 0.00 O ATOM 594 CB SER A 404 16.395 -1.416 13.133 1.00 0.00 C ATOM 595 OG SER A 404 15.264 -1.179 12.313 1.00 0.00 O ATOM 0 H SER A 404 17.633 -1.232 10.957 1.00 0.00 H new ATOM 0 HA SER A 404 18.177 -2.617 13.153 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.070 -1.684 14.138 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.982 -0.502 13.221 1.00 0.00 H new ATOM 0 HG SER A 404 14.722 -0.461 12.702 1.00 0.00 H new ATOM 601 N LEU A 405 15.571 -4.051 11.719 1.00 0.00 N ATOM 602 CA LEU A 405 14.783 -5.278 11.677 1.00 0.00 C ATOM 603 C LEU A 405 15.412 -6.297 10.732 1.00 0.00 C ATOM 604 O LEU A 405 16.180 -5.954 9.832 1.00 0.00 O ATOM 605 CB LEU A 405 13.351 -4.972 11.235 1.00 0.00 C ATOM 606 CG LEU A 405 12.418 -4.424 12.315 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.180 -3.804 11.686 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.028 -5.523 13.292 1.00 0.00 C ATOM 0 H LEU A 405 15.328 -3.369 11.001 1.00 0.00 H new ATOM 0 HA LEU A 405 14.764 -5.704 12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.390 -4.252 10.418 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.913 -5.886 10.834 1.00 0.00 H new ATOM 0 HG LEU A 405 12.949 -3.648 12.866 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.527 -3.419 12.470 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.477 -2.988 11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.647 -4.560 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.364 -5.114 14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.516 -6.322 12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.924 -5.921 13.768 1.00 0.00 H new ATOM 620 N PRO A 406 15.080 -7.579 10.938 1.00 0.00 N ATOM 621 CA PRO A 406 15.599 -8.674 10.113 1.00 0.00 C ATOM 622 C PRO A 406 15.032 -8.653 8.698 1.00 0.00 C ATOM 623 O PRO A 406 13.816 -8.625 8.506 1.00 0.00 O ATOM 624 CB PRO A 406 15.134 -9.929 10.856 1.00 0.00 C ATOM 625 CG PRO A 406 13.928 -9.495 11.616 1.00 0.00 C ATOM 626 CD PRO A 406 14.171 -8.060 11.992 1.00 0.00 C ATOM 0 HA PRO A 406 16.680 -8.612 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.895 -10.735 10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.909 -10.303 11.524 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.028 -9.592 11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.783 -10.112 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.243 -7.488 12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.622 -7.975 12.981 1.00 0.00 H new ATOM 634 N TYR A 407 15.920 -8.666 7.710 1.00 0.00 N ATOM 635 CA TYR A 407 15.508 -8.646 6.311 1.00 0.00 C ATOM 636 C TYR A 407 14.407 -9.670 6.053 1.00 0.00 C ATOM 637 O TYR A 407 13.377 -9.354 5.458 1.00 0.00 O ATOM 638 CB TYR A 407 16.704 -8.926 5.401 1.00 0.00 C ATOM 639 CG TYR A 407 16.370 -8.872 3.927 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.094 -7.663 3.301 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.328 -10.031 3.161 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.787 -7.609 1.955 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.024 -9.986 1.815 1.00 0.00 C ATOM 644 CZ TYR A 407 15.754 -8.773 1.216 1.00 0.00 C ATOM 645 OH TYR A 407 15.449 -8.724 -0.125 1.00 0.00 O ATOM 0 H TYR A 407 16.930 -8.690 7.852 1.00 0.00 H new ATOM 0 HA TYR A 407 15.116 -7.654 6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.489 -8.201 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.107 -9.911 5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.120 -6.749 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.537 -10.983 3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.574 -6.661 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.998 -10.896 1.234 1.00 0.00 H new ATOM 0 HH TYR A 407 15.469 -9.630 -0.498 1.00 0.00 H new ATOM 655 N GLU A 408 14.633 -10.899 6.507 1.00 0.00 N ATOM 656 CA GLU A 408 13.661 -11.971 6.325 1.00 0.00 C ATOM 657 C GLU A 408 12.246 -11.477 6.615 1.00 0.00 C ATOM 658 O GLU A 408 11.270 -12.024 6.103 1.00 0.00 O ATOM 659 CB GLU A 408 13.996 -13.154 7.236 1.00 0.00 C ATOM 660 CG GLU A 408 12.952 -14.257 7.210 1.00 0.00 C ATOM 661 CD GLU A 408 13.290 -15.402 8.145 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.291 -16.102 7.888 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.552 -15.598 9.133 1.00 0.00 O ATOM 0 H GLU A 408 15.480 -11.177 7.003 1.00 0.00 H new ATOM 0 HA GLU A 408 13.708 -12.297 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.959 -13.570 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 408 14.107 -12.794 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 408 11.983 -13.841 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.857 -14.639 6.193 1.00 0.00 H new ATOM 670 N GLU A 409 12.145 -10.439 7.440 1.00 0.00 N ATOM 671 CA GLU A 409 10.850 -9.873 7.799 1.00 0.00 C ATOM 672 C GLU A 409 10.568 -8.608 6.993 1.00 0.00 C ATOM 673 O GLU A 409 9.916 -7.683 7.478 1.00 0.00 O ATOM 674 CB GLU A 409 10.804 -9.558 9.295 1.00 0.00 C ATOM 675 CG GLU A 409 10.685 -10.793 10.173 1.00 0.00 C ATOM 676 CD GLU A 409 9.303 -11.413 10.125 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.313 -10.652 10.085 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.210 -12.658 10.126 1.00 0.00 O ATOM 0 H GLU A 409 12.943 -9.974 7.872 1.00 0.00 H new ATOM 0 HA GLU A 409 10.082 -10.611 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.706 -9.012 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.959 -8.899 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.421 -11.532 9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.924 -10.526 11.203 1.00 0.00 H new ATOM 685 N SER A 410 11.063 -8.576 5.760 1.00 0.00 N ATOM 686 CA SER A 410 10.868 -7.424 4.888 1.00 0.00 C ATOM 687 C SER A 410 9.384 -7.181 4.631 1.00 0.00 C ATOM 688 O SER A 410 8.738 -7.928 3.895 1.00 0.00 O ATOM 689 CB SER A 410 11.599 -7.633 3.560 1.00 0.00 C ATOM 690 OG SER A 410 11.786 -6.403 2.881 1.00 0.00 O ATOM 0 H SER A 410 11.602 -9.335 5.342 1.00 0.00 H new ATOM 0 HA SER A 410 11.280 -6.548 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 410 12.566 -8.101 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 410 11.028 -8.316 2.931 1.00 0.00 H new ATOM 0 HG SER A 410 12.125 -6.576 1.978 1.00 0.00 H new ATOM 696 N THR A 411 8.848 -6.131 5.244 1.00 0.00 N ATOM 697 CA THR A 411 7.440 -5.789 5.085 1.00 0.00 C ATOM 698 C THR A 411 7.271 -4.537 4.231 1.00 0.00 C ATOM 699 O THR A 411 8.240 -3.833 3.948 1.00 0.00 O ATOM 700 CB THR A 411 6.759 -5.562 6.448 1.00 0.00 C ATOM 701 OG1 THR A 411 5.367 -5.285 6.260 1.00 0.00 O ATOM 702 CG2 THR A 411 7.414 -4.411 7.195 1.00 0.00 C ATOM 0 H THR A 411 9.368 -5.502 5.856 1.00 0.00 H new ATOM 0 HA THR A 411 6.965 -6.633 4.586 1.00 0.00 H new ATOM 0 HB THR A 411 6.871 -6.470 7.041 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.941 -5.144 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.916 -4.270 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.467 -4.638 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.329 -3.499 6.604 1.00 0.00 H new ATOM 710 N TRP A 412 6.036 -4.267 3.824 1.00 0.00 N ATOM 711 CA TRP A 412 5.741 -3.099 3.002 1.00 0.00 C ATOM 712 C TRP A 412 4.789 -2.152 3.724 1.00 0.00 C ATOM 713 O TRP A 412 3.630 -2.489 3.966 1.00 0.00 O ATOM 714 CB TRP A 412 5.136 -3.530 1.665 1.00 0.00 C ATOM 715 CG TRP A 412 5.936 -4.585 0.964 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.303 -5.802 1.462 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.469 -4.515 -0.363 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.033 -6.494 0.525 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.148 -5.726 -0.604 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.438 -3.549 -1.372 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.789 -5.993 -1.810 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.075 -3.816 -2.569 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.743 -5.029 -2.781 1.00 0.00 C ATOM 0 H TRP A 412 5.223 -4.841 4.050 1.00 0.00 H new ATOM 0 HA TRP A 412 6.676 -2.571 2.816 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.126 -3.903 1.835 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.049 -2.659 1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.056 -6.168 2.448 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.425 -7.427 0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.926 -2.611 -1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.305 -6.928 -1.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.058 -3.076 -3.355 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.231 -5.207 -3.728 1.00 0.00 H new ATOM 734 N GLU A 413 5.285 -0.967 4.065 1.00 0.00 N ATOM 735 CA GLU A 413 4.476 0.028 4.760 1.00 0.00 C ATOM 736 C GLU A 413 3.812 0.979 3.768 1.00 0.00 C ATOM 737 O GLU A 413 4.463 1.505 2.864 1.00 0.00 O ATOM 738 CB GLU A 413 5.337 0.820 5.745 1.00 0.00 C ATOM 739 CG GLU A 413 6.120 -0.055 6.709 1.00 0.00 C ATOM 740 CD GLU A 413 6.900 0.753 7.729 1.00 0.00 C ATOM 741 OE1 GLU A 413 8.028 1.182 7.409 1.00 0.00 O ATOM 742 OE2 GLU A 413 6.381 0.955 8.847 1.00 0.00 O ATOM 0 H GLU A 413 6.242 -0.672 3.872 1.00 0.00 H new ATOM 0 HA GLU A 413 3.696 -0.497 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.034 1.443 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.696 1.492 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.432 -0.722 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.809 -0.684 6.145 1.00 0.00 H new ATOM 749 N LEU A 414 2.514 1.196 3.943 1.00 0.00 N ATOM 750 CA LEU A 414 1.761 2.084 3.064 1.00 0.00 C ATOM 751 C LEU A 414 2.576 3.324 2.714 1.00 0.00 C ATOM 752 O LEU A 414 3.465 3.726 3.464 1.00 0.00 O ATOM 753 CB LEU A 414 0.445 2.495 3.727 1.00 0.00 C ATOM 754 CG LEU A 414 -0.517 1.358 4.073 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.811 1.910 4.651 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.800 0.507 2.843 1.00 0.00 C ATOM 0 H LEU A 414 1.960 0.769 4.686 1.00 0.00 H new ATOM 0 HA LEU A 414 1.543 1.543 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.677 3.039 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.070 3.191 3.065 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.047 0.727 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.483 1.086 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.593 2.476 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.286 2.564 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.486 -0.297 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.249 1.127 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.133 0.081 2.473 1.00 0.00 H new ATOM 768 N GLU A 415 2.266 3.927 1.571 1.00 0.00 N ATOM 769 CA GLU A 415 2.970 5.123 1.123 1.00 0.00 C ATOM 770 C GLU A 415 2.920 6.215 2.188 1.00 0.00 C ATOM 771 O GLU A 415 3.872 6.976 2.355 1.00 0.00 O ATOM 772 CB GLU A 415 2.363 5.641 -0.183 1.00 0.00 C ATOM 773 CG GLU A 415 2.879 7.009 -0.594 1.00 0.00 C ATOM 774 CD GLU A 415 4.372 7.014 -0.860 1.00 0.00 C ATOM 775 OE1 GLU A 415 5.140 6.669 0.062 1.00 0.00 O ATOM 776 OE2 GLU A 415 4.771 7.364 -1.990 1.00 0.00 O ATOM 0 H GLU A 415 1.532 3.607 0.938 1.00 0.00 H new ATOM 0 HA GLU A 415 4.012 4.856 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.574 4.928 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.279 5.688 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.353 7.337 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.651 7.730 0.191 1.00 0.00 H new ATOM 783 N GLU A 416 1.802 6.284 2.904 1.00 0.00 N ATOM 784 CA GLU A 416 1.628 7.283 3.952 1.00 0.00 C ATOM 785 C GLU A 416 2.630 7.067 5.082 1.00 0.00 C ATOM 786 O GLU A 416 3.283 8.008 5.535 1.00 0.00 O ATOM 787 CB GLU A 416 0.202 7.232 4.503 1.00 0.00 C ATOM 788 CG GLU A 416 -0.153 5.904 5.151 1.00 0.00 C ATOM 789 CD GLU A 416 -1.651 5.688 5.257 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.396 6.295 4.459 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.076 4.912 6.137 1.00 0.00 O ATOM 0 H GLU A 416 1.004 5.661 2.778 1.00 0.00 H new ATOM 0 HA GLU A 416 1.806 8.266 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.076 8.029 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.499 7.430 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 416 0.287 5.092 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 416 0.288 5.861 6.147 1.00 0.00 H new ATOM 798 N ASP A 417 2.746 5.823 5.532 1.00 0.00 N ATOM 799 CA ASP A 417 3.668 5.483 6.609 1.00 0.00 C ATOM 800 C ASP A 417 5.109 5.782 6.206 1.00 0.00 C ATOM 801 O ASP A 417 5.931 6.165 7.038 1.00 0.00 O ATOM 802 CB ASP A 417 3.527 4.006 6.983 1.00 0.00 C ATOM 803 CG ASP A 417 3.956 3.727 8.410 1.00 0.00 C ATOM 804 OD1 ASP A 417 4.769 4.507 8.948 1.00 0.00 O ATOM 805 OD2 ASP A 417 3.479 2.728 8.988 1.00 0.00 O ATOM 0 H ASP A 417 2.213 5.033 5.168 1.00 0.00 H new ATOM 0 HA ASP A 417 3.417 6.095 7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.490 3.698 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.127 3.403 6.302 1.00 0.00 H new ATOM 810 N VAL A 418 5.408 5.603 4.923 1.00 0.00 N ATOM 811 CA VAL A 418 6.749 5.854 4.409 1.00 0.00 C ATOM 812 C VAL A 418 6.947 7.331 4.086 1.00 0.00 C ATOM 813 O VAL A 418 6.219 7.902 3.274 1.00 0.00 O ATOM 814 CB VAL A 418 7.030 5.021 3.143 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.422 5.316 2.608 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.865 3.537 3.435 1.00 0.00 C ATOM 0 H VAL A 418 4.740 5.285 4.221 1.00 0.00 H new ATOM 0 HA VAL A 418 7.448 5.560 5.192 1.00 0.00 H new ATOM 0 HB VAL A 418 6.306 5.300 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.602 4.719 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.499 6.374 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.164 5.067 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.067 2.964 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.564 3.240 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.845 3.343 3.767 1.00 0.00 H new ATOM 826 N ASP A 419 7.936 7.943 4.728 1.00 0.00 N ATOM 827 CA ASP A 419 8.232 9.354 4.508 1.00 0.00 C ATOM 828 C ASP A 419 8.258 9.678 3.018 1.00 0.00 C ATOM 829 O ASP A 419 8.580 8.836 2.180 1.00 0.00 O ATOM 830 CB ASP A 419 9.572 9.721 5.147 1.00 0.00 C ATOM 831 CG ASP A 419 9.444 10.030 6.625 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.517 9.491 7.266 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.269 10.813 7.142 1.00 0.00 O ATOM 0 H ASP A 419 8.546 7.484 5.405 1.00 0.00 H new ATOM 0 HA ASP A 419 7.443 9.943 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.274 8.898 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.991 10.586 4.633 1.00 0.00 H new ATOM 838 N PRO A 420 7.911 10.929 2.678 1.00 0.00 N ATOM 839 CA PRO A 420 7.886 11.393 1.288 1.00 0.00 C ATOM 840 C PRO A 420 9.285 11.515 0.693 1.00 0.00 C ATOM 841 O PRO A 420 9.526 11.097 -0.439 1.00 0.00 O ATOM 842 CB PRO A 420 7.225 12.770 1.386 1.00 0.00 C ATOM 843 CG PRO A 420 7.504 13.227 2.776 1.00 0.00 C ATOM 844 CD PRO A 420 7.516 11.985 3.625 1.00 0.00 C ATOM 0 HA PRO A 420 7.359 10.697 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.639 13.461 0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.153 12.709 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.460 13.747 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.741 13.926 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.223 12.069 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.537 11.787 4.062 1.00 0.00 H new ATOM 852 N ALA A 421 10.203 12.090 1.463 1.00 0.00 N ATOM 853 CA ALA A 421 11.578 12.264 1.012 1.00 0.00 C ATOM 854 C ALA A 421 12.162 10.948 0.509 1.00 0.00 C ATOM 855 O ALA A 421 12.590 10.845 -0.641 1.00 0.00 O ATOM 856 CB ALA A 421 12.435 12.828 2.136 1.00 0.00 C ATOM 0 H ALA A 421 10.019 12.443 2.402 1.00 0.00 H new ATOM 0 HA ALA A 421 11.575 12.971 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.459 12.953 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.038 13.794 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.423 12.141 2.983 1.00 0.00 H new ATOM 862 N LYS A 422 12.177 9.942 1.378 1.00 0.00 N ATOM 863 CA LYS A 422 12.707 8.632 1.023 1.00 0.00 C ATOM 864 C LYS A 422 12.182 8.182 -0.337 1.00 0.00 C ATOM 865 O LYS A 422 12.955 7.813 -1.221 1.00 0.00 O ATOM 866 CB LYS A 422 12.335 7.601 2.091 1.00 0.00 C ATOM 867 CG LYS A 422 13.299 7.567 3.265 1.00 0.00 C ATOM 868 CD LYS A 422 13.175 8.813 4.125 1.00 0.00 C ATOM 869 CE LYS A 422 14.286 8.889 5.160 1.00 0.00 C ATOM 870 NZ LYS A 422 15.551 9.416 4.579 1.00 0.00 N ATOM 0 H LYS A 422 11.828 10.010 2.334 1.00 0.00 H new ATOM 0 HA LYS A 422 13.793 8.711 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.333 7.818 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.298 6.613 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.103 6.684 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.321 7.479 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 422 13.206 9.699 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 422 12.208 8.815 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 422 13.971 9.529 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.463 7.897 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.283 9.452 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.866 8.792 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.389 10.373 4.205 1.00 0.00 H new ATOM 884 N VAL A 423 10.863 8.216 -0.498 1.00 0.00 N ATOM 885 CA VAL A 423 10.235 7.815 -1.751 1.00 0.00 C ATOM 886 C VAL A 423 10.854 8.547 -2.935 1.00 0.00 C ATOM 887 O VAL A 423 11.417 7.927 -3.838 1.00 0.00 O ATOM 888 CB VAL A 423 8.718 8.086 -1.730 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.096 7.743 -3.075 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.053 7.301 -0.610 1.00 0.00 C ATOM 0 H VAL A 423 10.209 8.517 0.224 1.00 0.00 H new ATOM 0 HA VAL A 423 10.404 6.744 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 423 8.558 9.148 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.025 7.941 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.553 8.353 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.264 6.689 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.982 7.504 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.220 6.235 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.479 7.601 0.347 1.00 0.00 H new ATOM 900 N LYS A 424 10.748 9.872 -2.927 1.00 0.00 N ATOM 901 CA LYS A 424 11.299 10.691 -4.000 1.00 0.00 C ATOM 902 C LYS A 424 12.656 10.158 -4.449 1.00 0.00 C ATOM 903 O LYS A 424 12.894 9.968 -5.641 1.00 0.00 O ATOM 904 CB LYS A 424 11.438 12.144 -3.540 1.00 0.00 C ATOM 905 CG LYS A 424 10.134 12.756 -3.058 1.00 0.00 C ATOM 906 CD LYS A 424 9.383 13.434 -4.193 1.00 0.00 C ATOM 907 CE LYS A 424 8.411 12.478 -4.867 1.00 0.00 C ATOM 908 NZ LYS A 424 7.064 12.519 -4.234 1.00 0.00 N ATOM 0 H LYS A 424 10.285 10.402 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 424 10.613 10.647 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 424 12.172 12.193 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 424 11.828 12.742 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 424 9.507 11.980 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.341 13.482 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 424 8.839 14.296 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 424 10.095 13.810 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 424 8.324 12.733 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 424 8.806 11.463 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 6.431 11.854 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 7.143 12.251 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 6.676 13.481 -4.305 1.00 0.00 H new ATOM 922 N GLU A 425 13.541 9.917 -3.487 1.00 0.00 N ATOM 923 CA GLU A 425 14.873 9.405 -3.785 1.00 0.00 C ATOM 924 C GLU A 425 14.795 8.186 -4.701 1.00 0.00 C ATOM 925 O GLU A 425 15.436 8.143 -5.751 1.00 0.00 O ATOM 926 CB GLU A 425 15.605 9.039 -2.492 1.00 0.00 C ATOM 927 CG GLU A 425 17.090 8.786 -2.684 1.00 0.00 C ATOM 928 CD GLU A 425 17.736 8.150 -1.468 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.383 8.541 -0.336 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.595 7.262 -1.649 1.00 0.00 O ATOM 0 H GLU A 425 13.359 10.068 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 425 15.429 10.189 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.473 9.844 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.146 8.148 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.236 8.138 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.590 9.729 -2.905 1.00 0.00 H new ATOM 937 N PHE A 426 14.005 7.198 -4.294 1.00 0.00 N ATOM 938 CA PHE A 426 13.843 5.978 -5.076 1.00 0.00 C ATOM 939 C PHE A 426 13.232 6.283 -6.440 1.00 0.00 C ATOM 940 O PHE A 426 13.807 5.952 -7.477 1.00 0.00 O ATOM 941 CB PHE A 426 12.964 4.977 -4.323 1.00 0.00 C ATOM 942 CG PHE A 426 12.489 3.836 -5.176 1.00 0.00 C ATOM 943 CD1 PHE A 426 11.429 4.002 -6.052 1.00 0.00 C ATOM 944 CD2 PHE A 426 13.104 2.596 -5.102 1.00 0.00 C ATOM 945 CE1 PHE A 426 10.990 2.954 -6.838 1.00 0.00 C ATOM 946 CE2 PHE A 426 12.669 1.543 -5.886 1.00 0.00 C ATOM 947 CZ PHE A 426 11.612 1.723 -6.755 1.00 0.00 C ATOM 0 H PHE A 426 13.467 7.218 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 426 14.830 5.541 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.524 4.579 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.099 5.500 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 426 10.940 4.962 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 426 13.932 2.450 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 426 10.162 3.097 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 426 13.156 0.581 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.271 0.903 -7.369 1.00 0.00 H new ATOM 957 N GLU A 427 12.063 6.915 -6.431 1.00 0.00 N ATOM 958 CA GLU A 427 11.373 7.264 -7.667 1.00 0.00 C ATOM 959 C GLU A 427 12.345 7.854 -8.685 1.00 0.00 C ATOM 960 O GLU A 427 12.149 7.726 -9.893 1.00 0.00 O ATOM 961 CB GLU A 427 10.246 8.259 -7.385 1.00 0.00 C ATOM 962 CG GLU A 427 8.919 7.599 -7.054 1.00 0.00 C ATOM 963 CD GLU A 427 9.063 6.467 -6.054 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.876 6.607 -5.116 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.366 5.444 -6.210 1.00 0.00 O ATOM 0 H GLU A 427 11.574 7.196 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 427 10.946 6.352 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.539 8.901 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.115 8.902 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 427 8.235 8.347 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.470 7.215 -7.970 1.00 0.00 H new ATOM 972 N SER A 428 13.394 8.500 -8.186 1.00 0.00 N ATOM 973 CA SER A 428 14.396 9.114 -9.051 1.00 0.00 C ATOM 974 C SER A 428 15.343 8.061 -9.618 1.00 0.00 C ATOM 975 O SER A 428 15.577 8.004 -10.826 1.00 0.00 O ATOM 976 CB SER A 428 15.190 10.168 -8.278 1.00 0.00 C ATOM 977 OG SER A 428 15.868 11.045 -9.162 1.00 0.00 O ATOM 0 H SER A 428 13.573 8.612 -7.188 1.00 0.00 H new ATOM 0 HA SER A 428 13.878 9.596 -9.881 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.516 10.739 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.911 9.678 -7.623 1.00 0.00 H new ATOM 0 HG SER A 428 16.367 11.711 -8.644 1.00 0.00 H new ATOM 983 N LEU A 429 15.887 7.228 -8.737 1.00 0.00 N ATOM 984 CA LEU A 429 16.810 6.176 -9.147 1.00 0.00 C ATOM 985 C LEU A 429 16.252 5.394 -10.332 1.00 0.00 C ATOM 986 O LEU A 429 17.002 4.941 -11.197 1.00 0.00 O ATOM 987 CB LEU A 429 17.084 5.227 -7.979 1.00 0.00 C ATOM 988 CG LEU A 429 16.175 4.001 -7.882 1.00 0.00 C ATOM 989 CD1 LEU A 429 16.587 2.948 -8.899 1.00 0.00 C ATOM 990 CD2 LEU A 429 16.203 3.426 -6.474 1.00 0.00 C ATOM 0 H LEU A 429 15.704 7.261 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 429 17.745 6.646 -9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 429 18.116 4.884 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 429 16.999 5.792 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 429 15.154 4.311 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 429 15.929 2.083 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 429 16.513 3.364 -9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.615 2.641 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 429 15.550 2.554 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 429 17.222 3.132 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 429 15.857 4.179 -5.766 1.00 0.00 H new ATOM 1002 N GLN A 430 14.932 5.242 -10.366 1.00 0.00 N ATOM 1003 CA GLN A 430 14.274 4.516 -11.446 1.00 0.00 C ATOM 1004 C GLN A 430 13.489 5.468 -12.342 1.00 0.00 C ATOM 1005 O GLN A 430 13.503 6.682 -12.139 1.00 0.00 O ATOM 1006 CB GLN A 430 13.341 3.447 -10.876 1.00 0.00 C ATOM 1007 CG GLN A 430 12.210 4.013 -10.033 1.00 0.00 C ATOM 1008 CD GLN A 430 10.975 4.332 -10.852 1.00 0.00 C ATOM 1009 OE1 GLN A 430 10.855 5.419 -11.418 1.00 0.00 O ATOM 1010 NE2 GLN A 430 10.047 3.384 -10.919 1.00 0.00 N ATOM 0 H GLN A 430 14.297 5.612 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 430 15.044 4.032 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 430 12.917 2.871 -11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 430 13.924 2.754 -10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 430 11.949 3.297 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.553 4.918 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 430 10.188 2.498 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 430 9.194 3.542 -11.455 1.00 0.00 H new ATOM 1019 N VAL A 431 12.805 4.909 -13.336 1.00 0.00 N ATOM 1020 CA VAL A 431 12.014 5.708 -14.263 1.00 0.00 C ATOM 1021 C VAL A 431 10.744 4.973 -14.677 1.00 0.00 C ATOM 1022 O VAL A 431 10.804 3.899 -15.276 1.00 0.00 O ATOM 1023 CB VAL A 431 12.820 6.067 -15.525 1.00 0.00 C ATOM 1024 CG1 VAL A 431 13.642 4.875 -15.991 1.00 0.00 C ATOM 1025 CG2 VAL A 431 11.893 6.550 -16.630 1.00 0.00 C ATOM 0 H VAL A 431 12.783 3.906 -13.519 1.00 0.00 H new ATOM 0 HA VAL A 431 11.746 6.626 -13.739 1.00 0.00 H new ATOM 0 HB VAL A 431 13.506 6.877 -15.278 1.00 0.00 H new ATOM 0 HG11 VAL A 431 14.205 5.148 -16.884 1.00 0.00 H new ATOM 0 HG12 VAL A 431 14.334 4.579 -15.202 1.00 0.00 H new ATOM 0 HG13 VAL A 431 12.977 4.042 -16.221 1.00 0.00 H new ATOM 0 HG21 VAL A 431 12.480 6.799 -17.514 1.00 0.00 H new ATOM 0 HG22 VAL A 431 11.181 5.763 -16.877 1.00 0.00 H new ATOM 0 HG23 VAL A 431 11.353 7.434 -16.292 1.00 0.00 H new TER 1035 VAL A 431