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 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 : amide:sc= -0.116 K(o=-0.12,f=-0.84) USER MOD Single : A 374 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.7) USER MOD Single : A 386 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 387 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.48) USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-3.7!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0557) 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 44:sc= 0.92 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 422 LYS NZ :NH3+ -151:sc= -0.144 (180deg=-2.64) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 17.592 18.618 -4.702 1.00 0.00 N ATOM 2 CA GLY A 364 17.009 17.458 -4.054 1.00 0.00 C ATOM 3 C GLY A 364 16.456 17.779 -2.679 1.00 0.00 C ATOM 4 O GLY A 364 17.197 18.182 -1.783 1.00 0.00 O ATOM 0 HA2 GLY A 364 16.210 17.059 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 364 17.764 16.677 -3.965 1.00 0.00 H new ATOM 8 N SER A 365 15.149 17.601 -2.512 1.00 0.00 N ATOM 9 CA SER A 365 14.496 17.880 -1.239 1.00 0.00 C ATOM 10 C SER A 365 15.344 17.382 -0.073 1.00 0.00 C ATOM 11 O SER A 365 16.143 16.457 -0.223 1.00 0.00 O ATOM 12 CB SER A 365 13.114 17.225 -1.196 1.00 0.00 C ATOM 13 OG SER A 365 12.256 17.781 -2.176 1.00 0.00 O ATOM 0 H SER A 365 14.522 17.265 -3.243 1.00 0.00 H new ATOM 0 HA SER A 365 14.381 18.960 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 365 13.211 16.152 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 365 12.676 17.358 -0.207 1.00 0.00 H new ATOM 0 HG SER A 365 11.380 17.345 -2.129 1.00 0.00 H new ATOM 19 N SER A 366 15.164 18.001 1.089 1.00 0.00 N ATOM 20 CA SER A 366 15.915 17.624 2.281 1.00 0.00 C ATOM 21 C SER A 366 15.099 17.886 3.543 1.00 0.00 C ATOM 22 O SER A 366 14.581 18.984 3.744 1.00 0.00 O ATOM 23 CB SER A 366 17.235 18.396 2.344 1.00 0.00 C ATOM 24 OG SER A 366 18.052 17.924 3.401 1.00 0.00 O ATOM 0 H SER A 366 14.504 18.766 1.231 1.00 0.00 H new ATOM 0 HA SER A 366 16.129 16.557 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 366 17.765 18.294 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 366 17.033 19.458 2.483 1.00 0.00 H new ATOM 0 HG SER A 366 18.890 18.432 3.419 1.00 0.00 H new ATOM 30 N GLY A 367 14.989 16.869 4.391 1.00 0.00 N ATOM 31 CA GLY A 367 14.234 17.008 5.623 1.00 0.00 C ATOM 32 C GLY A 367 13.588 15.708 6.058 1.00 0.00 C ATOM 33 O GLY A 367 12.795 15.123 5.320 1.00 0.00 O ATOM 0 H GLY A 367 15.409 15.951 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 367 14.896 17.363 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 367 13.463 17.766 5.489 1.00 0.00 H new ATOM 37 N SER A 368 13.929 15.252 7.259 1.00 0.00 N ATOM 38 CA SER A 368 13.380 14.009 7.789 1.00 0.00 C ATOM 39 C SER A 368 13.474 13.979 9.311 1.00 0.00 C ATOM 40 O SER A 368 14.390 14.553 9.899 1.00 0.00 O ATOM 41 CB SER A 368 14.120 12.807 7.198 1.00 0.00 C ATOM 42 OG SER A 368 15.481 12.801 7.594 1.00 0.00 O ATOM 0 H SER A 368 14.583 15.724 7.883 1.00 0.00 H new ATOM 0 HA SER A 368 12.329 13.955 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 368 13.639 11.884 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 368 14.055 12.834 6.110 1.00 0.00 H new ATOM 0 HG SER A 368 15.931 12.022 7.205 1.00 0.00 H new ATOM 48 N SER A 369 12.518 13.305 9.943 1.00 0.00 N ATOM 49 CA SER A 369 12.489 13.203 11.398 1.00 0.00 C ATOM 50 C SER A 369 13.446 12.120 11.885 1.00 0.00 C ATOM 51 O SER A 369 13.466 11.009 11.357 1.00 0.00 O ATOM 52 CB SER A 369 11.069 12.900 11.881 1.00 0.00 C ATOM 53 OG SER A 369 10.158 13.891 11.438 1.00 0.00 O ATOM 0 H SER A 369 11.754 12.822 9.471 1.00 0.00 H new ATOM 0 HA SER A 369 12.809 14.159 11.811 1.00 0.00 H new ATOM 0 HB2 SER A 369 10.757 11.923 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 369 11.055 12.849 12.970 1.00 0.00 H new ATOM 0 HG SER A 369 9.257 13.674 11.758 1.00 0.00 H new ATOM 59 N GLY A 370 14.240 12.452 12.899 1.00 0.00 N ATOM 60 CA GLY A 370 15.189 11.499 13.442 1.00 0.00 C ATOM 61 C GLY A 370 14.923 11.181 14.900 1.00 0.00 C ATOM 62 O GLY A 370 15.001 12.060 15.757 1.00 0.00 O ATOM 0 H GLY A 370 14.242 13.365 13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 370 15.148 10.579 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 370 16.198 11.897 13.339 1.00 0.00 H new ATOM 66 N ASN A 371 14.606 9.922 15.181 1.00 0.00 N ATOM 67 CA ASN A 371 14.325 9.491 16.546 1.00 0.00 C ATOM 68 C ASN A 371 15.408 8.542 17.051 1.00 0.00 C ATOM 69 O ASN A 371 15.991 7.767 16.294 1.00 0.00 O ATOM 70 CB ASN A 371 12.958 8.807 16.616 1.00 0.00 C ATOM 71 CG ASN A 371 11.893 9.563 15.846 1.00 0.00 C ATOM 72 OD1 ASN A 371 11.889 9.572 14.615 1.00 0.00 O ATOM 73 ND2 ASN A 371 10.982 10.204 16.571 1.00 0.00 N ATOM 0 H ASN A 371 14.537 9.182 14.482 1.00 0.00 H new ATOM 0 HA ASN A 371 14.315 10.374 17.184 1.00 0.00 H new ATOM 0 HB2 ASN A 371 13.040 7.795 16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 371 12.653 8.716 17.659 1.00 0.00 H new ATOM 0 HD21 ASN A 371 10.241 10.731 16.109 1.00 0.00 H new ATOM 0 HD22 ASN A 371 11.024 10.169 17.590 1.00 0.00 H new ATOM 80 N PRO A 372 15.683 8.603 18.363 1.00 0.00 N ATOM 81 CA PRO A 372 16.696 7.756 18.999 1.00 0.00 C ATOM 82 C PRO A 372 16.274 6.291 19.056 1.00 0.00 C ATOM 83 O PRO A 372 16.986 5.451 19.605 1.00 0.00 O ATOM 84 CB PRO A 372 16.807 8.335 20.411 1.00 0.00 C ATOM 85 CG PRO A 372 15.490 8.985 20.659 1.00 0.00 C ATOM 86 CD PRO A 372 15.027 9.504 19.325 1.00 0.00 C ATOM 0 HA PRO A 372 17.636 7.760 18.447 1.00 0.00 H new ATOM 0 HB2 PRO A 372 17.007 7.554 21.144 1.00 0.00 H new ATOM 0 HB3 PRO A 372 17.623 9.054 20.481 1.00 0.00 H new ATOM 0 HG2 PRO A 372 14.775 8.273 21.070 1.00 0.00 H new ATOM 0 HG3 PRO A 372 15.585 9.795 21.382 1.00 0.00 H new ATOM 0 HD2 PRO A 372 13.941 9.467 19.234 1.00 0.00 H new ATOM 0 HD3 PRO A 372 15.325 10.541 19.172 1.00 0.00 H new ATOM 94 N ASP A 373 15.112 5.993 18.485 1.00 0.00 N ATOM 95 CA ASP A 373 14.596 4.629 18.469 1.00 0.00 C ATOM 96 C ASP A 373 15.074 3.881 17.229 1.00 0.00 C ATOM 97 O ASP A 373 14.298 3.187 16.572 1.00 0.00 O ATOM 98 CB ASP A 373 13.067 4.639 18.516 1.00 0.00 C ATOM 99 CG ASP A 373 12.533 4.957 19.899 1.00 0.00 C ATOM 100 OD1 ASP A 373 12.868 4.219 20.848 1.00 0.00 O ATOM 101 OD2 ASP A 373 11.778 5.943 20.031 1.00 0.00 O ATOM 0 H ASP A 373 14.510 6.677 18.027 1.00 0.00 H new ATOM 0 HA ASP A 373 14.976 4.113 19.351 1.00 0.00 H new ATOM 0 HB2 ASP A 373 12.689 5.374 17.806 1.00 0.00 H new ATOM 0 HB3 ASP A 373 12.690 3.667 18.199 1.00 0.00 H new ATOM 106 N TYR A 374 16.356 4.028 16.913 1.00 0.00 N ATOM 107 CA TYR A 374 16.937 3.370 15.749 1.00 0.00 C ATOM 108 C TYR A 374 15.952 3.351 14.585 1.00 0.00 C ATOM 109 O TYR A 374 15.656 2.297 14.023 1.00 0.00 O ATOM 110 CB TYR A 374 17.355 1.941 16.101 1.00 0.00 C ATOM 111 CG TYR A 374 16.187 1.009 16.333 1.00 0.00 C ATOM 112 CD1 TYR A 374 15.435 1.082 17.499 1.00 0.00 C ATOM 113 CD2 TYR A 374 15.836 0.054 15.387 1.00 0.00 C ATOM 114 CE1 TYR A 374 14.368 0.232 17.715 1.00 0.00 C ATOM 115 CE2 TYR A 374 14.770 -0.799 15.594 1.00 0.00 C ATOM 116 CZ TYR A 374 14.039 -0.706 16.760 1.00 0.00 C ATOM 117 OH TYR A 374 12.977 -1.555 16.971 1.00 0.00 O ATOM 0 H TYR A 374 17.013 4.597 17.447 1.00 0.00 H new ATOM 0 HA TYR A 374 17.818 3.936 15.446 1.00 0.00 H new ATOM 0 HB2 TYR A 374 17.972 1.543 15.296 1.00 0.00 H new ATOM 0 HB3 TYR A 374 17.975 1.963 16.997 1.00 0.00 H new ATOM 0 HD1 TYR A 374 15.689 1.816 18.249 1.00 0.00 H new ATOM 0 HD2 TYR A 374 16.407 -0.023 14.473 1.00 0.00 H new ATOM 0 HE1 TYR A 374 13.794 0.302 18.627 1.00 0.00 H new ATOM 0 HE2 TYR A 374 14.510 -1.535 14.847 1.00 0.00 H new ATOM 0 HH TYR A 374 12.879 -2.154 16.201 1.00 0.00 H new ATOM 127 N VAL A 375 15.446 4.528 14.228 1.00 0.00 N ATOM 128 CA VAL A 375 14.495 4.649 13.129 1.00 0.00 C ATOM 129 C VAL A 375 15.213 4.868 11.802 1.00 0.00 C ATOM 130 O VAL A 375 14.661 5.465 10.879 1.00 0.00 O ATOM 131 CB VAL A 375 13.510 5.810 13.365 1.00 0.00 C ATOM 132 CG1 VAL A 375 12.379 5.766 12.349 1.00 0.00 C ATOM 133 CG2 VAL A 375 12.965 5.765 14.785 1.00 0.00 C ATOM 0 H VAL A 375 15.679 5.410 14.684 1.00 0.00 H new ATOM 0 HA VAL A 375 13.939 3.713 13.087 1.00 0.00 H new ATOM 0 HB VAL A 375 14.046 6.750 13.235 1.00 0.00 H new ATOM 0 HG11 VAL A 375 11.693 6.594 12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 375 12.790 5.850 11.343 1.00 0.00 H new ATOM 0 HG13 VAL A 375 11.842 4.822 12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 375 12.271 6.592 14.935 1.00 0.00 H new ATOM 0 HG22 VAL A 375 12.444 4.821 14.945 1.00 0.00 H new ATOM 0 HG23 VAL A 375 13.789 5.850 15.494 1.00 0.00 H new ATOM 143 N GLU A 376 16.446 4.381 11.715 1.00 0.00 N ATOM 144 CA GLU A 376 17.240 4.524 10.500 1.00 0.00 C ATOM 145 C GLU A 376 16.738 3.583 9.409 1.00 0.00 C ATOM 146 O GLU A 376 17.335 2.537 9.153 1.00 0.00 O ATOM 147 CB GLU A 376 18.716 4.243 10.793 1.00 0.00 C ATOM 148 CG GLU A 376 19.609 4.349 9.568 1.00 0.00 C ATOM 149 CD GLU A 376 20.873 3.521 9.695 1.00 0.00 C ATOM 150 OE1 GLU A 376 20.774 2.348 10.112 1.00 0.00 O ATOM 151 OE2 GLU A 376 21.961 4.046 9.380 1.00 0.00 O ATOM 0 H GLU A 376 16.917 3.884 12.471 1.00 0.00 H new ATOM 0 HA GLU A 376 17.136 5.550 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 376 19.067 4.944 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 376 18.810 3.243 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 376 19.053 4.024 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 376 19.878 5.393 9.408 1.00 0.00 H new ATOM 158 N VAL A 377 15.637 3.962 8.769 1.00 0.00 N ATOM 159 CA VAL A 377 15.054 3.154 7.705 1.00 0.00 C ATOM 160 C VAL A 377 15.965 3.114 6.483 1.00 0.00 C ATOM 161 O VAL A 377 16.219 4.140 5.851 1.00 0.00 O ATOM 162 CB VAL A 377 13.673 3.690 7.284 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.306 3.190 5.896 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.614 3.291 8.301 1.00 0.00 C ATOM 0 H VAL A 377 15.130 4.824 8.969 1.00 0.00 H new ATOM 0 HA VAL A 377 14.938 2.146 8.102 1.00 0.00 H new ATOM 0 HB VAL A 377 13.720 4.778 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.327 3.579 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.051 3.531 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.276 2.100 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.644 3.678 7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.566 2.204 8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.872 3.704 9.276 1.00 0.00 H new ATOM 174 N ASP A 378 16.455 1.923 6.156 1.00 0.00 N ATOM 175 CA ASP A 378 17.338 1.749 5.008 1.00 0.00 C ATOM 176 C ASP A 378 16.606 2.063 3.707 1.00 0.00 C ATOM 177 O ASP A 378 15.386 1.925 3.621 1.00 0.00 O ATOM 178 CB ASP A 378 17.882 0.320 4.969 1.00 0.00 C ATOM 179 CG ASP A 378 19.066 0.177 4.033 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.161 0.662 4.385 1.00 0.00 O ATOM 181 OD2 ASP A 378 18.897 -0.420 2.949 1.00 0.00 O ATOM 0 H ASP A 378 16.256 1.064 6.669 1.00 0.00 H new ATOM 0 HA ASP A 378 18.171 2.444 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.179 0.020 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.090 -0.359 4.654 1.00 0.00 H new ATOM 186 N ARG A 379 17.360 2.487 2.698 1.00 0.00 N ATOM 187 CA ARG A 379 16.782 2.824 1.402 1.00 0.00 C ATOM 188 C ARG A 379 15.677 1.841 1.028 1.00 0.00 C ATOM 189 O ARG A 379 15.755 0.654 1.345 1.00 0.00 O ATOM 190 CB ARG A 379 17.866 2.825 0.322 1.00 0.00 C ATOM 191 CG ARG A 379 18.387 1.439 -0.019 1.00 0.00 C ATOM 192 CD ARG A 379 18.984 1.396 -1.417 1.00 0.00 C ATOM 193 NE ARG A 379 19.944 0.307 -1.570 1.00 0.00 N ATOM 194 CZ ARG A 379 21.200 0.368 -1.139 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.644 1.460 -0.533 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.013 -0.665 -1.315 1.00 0.00 N ATOM 0 H ARG A 379 18.372 2.605 2.753 1.00 0.00 H new ATOM 0 HA ARG A 379 16.348 3.821 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.467 3.286 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.698 3.445 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 379 19.142 1.144 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.575 0.716 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.185 1.280 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.476 2.345 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 379 19.634 -0.547 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 379 21.021 2.256 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.608 1.504 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 379 21.675 -1.507 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 379 22.977 -0.618 -0.984 1.00 0.00 H new ATOM 210 N ILE A 380 14.649 2.344 0.352 1.00 0.00 N ATOM 211 CA ILE A 380 13.529 1.510 -0.066 1.00 0.00 C ATOM 212 C ILE A 380 13.940 0.557 -1.183 1.00 0.00 C ATOM 213 O ILE A 380 14.344 0.987 -2.264 1.00 0.00 O ATOM 214 CB ILE A 380 12.340 2.364 -0.546 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.954 3.387 0.524 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.154 1.475 -0.889 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.031 4.472 0.016 1.00 0.00 C ATOM 0 H ILE A 380 14.569 3.324 0.082 1.00 0.00 H new ATOM 0 HA ILE A 380 13.223 0.933 0.806 1.00 0.00 H new ATOM 0 HB ILE A 380 12.638 2.902 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.472 2.869 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.860 3.847 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.322 2.093 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.436 0.782 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.853 0.913 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.799 5.162 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.519 5.015 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.109 4.022 -0.353 1.00 0.00 H new ATOM 229 N LEU A 381 13.832 -0.740 -0.915 1.00 0.00 N ATOM 230 CA LEU A 381 14.191 -1.756 -1.899 1.00 0.00 C ATOM 231 C LEU A 381 13.387 -1.579 -3.183 1.00 0.00 C ATOM 232 O LEU A 381 13.928 -1.187 -4.216 1.00 0.00 O ATOM 233 CB LEU A 381 13.955 -3.155 -1.325 1.00 0.00 C ATOM 234 CG LEU A 381 14.959 -3.627 -0.273 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.539 -4.971 0.300 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.356 -3.712 -0.870 1.00 0.00 C ATOM 0 H LEU A 381 13.499 -1.113 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 381 15.249 -1.640 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.958 -3.182 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.959 -3.869 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 381 14.976 -2.899 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.265 -5.291 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.558 -4.878 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.493 -5.709 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 381 17.058 -4.049 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.355 -4.419 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.658 -2.729 -1.231 1.00 0.00 H new ATOM 248 N GLU A 382 12.091 -1.869 -3.109 1.00 0.00 N ATOM 249 CA GLU A 382 11.213 -1.740 -4.266 1.00 0.00 C ATOM 250 C GLU A 382 9.802 -1.349 -3.837 1.00 0.00 C ATOM 251 O GLU A 382 9.497 -1.292 -2.646 1.00 0.00 O ATOM 252 CB GLU A 382 11.174 -3.051 -5.053 1.00 0.00 C ATOM 253 CG GLU A 382 12.230 -3.139 -6.142 1.00 0.00 C ATOM 254 CD GLU A 382 12.540 -4.569 -6.540 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.594 -5.380 -6.620 1.00 0.00 O ATOM 256 OE2 GLU A 382 13.728 -4.876 -6.772 1.00 0.00 O ATOM 0 H GLU A 382 11.627 -2.194 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 382 11.611 -0.952 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.306 -3.884 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.188 -3.165 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 382 11.889 -2.588 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 382 13.144 -2.656 -5.797 1.00 0.00 H new ATOM 263 N VAL A 383 8.945 -1.080 -4.817 1.00 0.00 N ATOM 264 CA VAL A 383 7.566 -0.695 -4.542 1.00 0.00 C ATOM 265 C VAL A 383 6.585 -1.648 -5.215 1.00 0.00 C ATOM 266 O VAL A 383 6.864 -2.188 -6.285 1.00 0.00 O ATOM 267 CB VAL A 383 7.278 0.741 -5.018 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.269 0.808 -6.538 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.959 1.237 -4.447 1.00 0.00 C ATOM 0 H VAL A 383 9.182 -1.122 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 383 7.433 -0.745 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 383 8.073 1.392 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.064 1.830 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.241 0.497 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.496 0.145 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.772 2.253 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.151 0.585 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 383 6.008 1.228 -3.358 1.00 0.00 H new ATOM 279 N ALA A 384 5.434 -1.850 -4.581 1.00 0.00 N ATOM 280 CA ALA A 384 4.410 -2.736 -5.120 1.00 0.00 C ATOM 281 C ALA A 384 3.032 -2.084 -5.058 1.00 0.00 C ATOM 282 O ALA A 384 2.633 -1.552 -4.022 1.00 0.00 O ATOM 283 CB ALA A 384 4.406 -4.057 -4.367 1.00 0.00 C ATOM 0 H ALA A 384 5.188 -1.412 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 384 4.645 -2.928 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.636 -4.709 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.380 -4.536 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.199 -3.874 -3.313 1.00 0.00 H new ATOM 289 N HIS A 385 2.310 -2.130 -6.173 1.00 0.00 N ATOM 290 CA HIS A 385 0.976 -1.544 -6.244 1.00 0.00 C ATOM 291 C HIS A 385 -0.090 -2.630 -6.341 1.00 0.00 C ATOM 292 O HIS A 385 -0.167 -3.354 -7.334 1.00 0.00 O ATOM 293 CB HIS A 385 0.873 -0.603 -7.446 1.00 0.00 C ATOM 294 CG HIS A 385 2.024 0.348 -7.562 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.834 0.684 -6.497 1.00 0.00 N ATOM 296 CD2 HIS A 385 2.501 1.035 -8.626 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.757 1.538 -6.901 1.00 0.00 C ATOM 298 NE2 HIS A 385 3.577 1.767 -8.190 1.00 0.00 N ATOM 0 H HIS A 385 2.626 -2.567 -7.039 1.00 0.00 H new ATOM 0 HA HIS A 385 0.807 -0.974 -5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.810 -1.197 -8.358 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.053 -0.033 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 385 2.108 1.012 -9.632 1.00 0.00 H new ATOM 0 HE1 HIS A 385 4.528 1.975 -6.283 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.145 2.387 -8.767 1.00 0.00 H new ATOM 306 N THR A 386 -0.912 -2.740 -5.302 1.00 0.00 N ATOM 307 CA THR A 386 -1.973 -3.739 -5.268 1.00 0.00 C ATOM 308 C THR A 386 -3.330 -3.092 -5.017 1.00 0.00 C ATOM 309 O THR A 386 -3.412 -1.918 -4.654 1.00 0.00 O ATOM 310 CB THR A 386 -1.713 -4.798 -4.181 1.00 0.00 C ATOM 311 OG1 THR A 386 -2.726 -5.809 -4.229 1.00 0.00 O ATOM 312 CG2 THR A 386 -1.690 -4.161 -2.799 1.00 0.00 C ATOM 0 H THR A 386 -0.863 -2.149 -4.472 1.00 0.00 H new ATOM 0 HA THR A 386 -1.980 -4.225 -6.244 1.00 0.00 H new ATOM 0 HB THR A 386 -0.740 -5.250 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 386 -2.552 -6.479 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 386 -1.505 -4.929 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.898 -3.413 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.650 -3.685 -2.602 1.00 0.00 H new ATOM 320 N LYS A 387 -4.393 -3.864 -5.212 1.00 0.00 N ATOM 321 CA LYS A 387 -5.748 -3.367 -5.005 1.00 0.00 C ATOM 322 C LYS A 387 -6.629 -4.438 -4.368 1.00 0.00 C ATOM 323 O LYS A 387 -6.463 -5.629 -4.632 1.00 0.00 O ATOM 324 CB LYS A 387 -6.357 -2.916 -6.335 1.00 0.00 C ATOM 325 CG LYS A 387 -6.748 -4.067 -7.246 1.00 0.00 C ATOM 326 CD LYS A 387 -7.236 -3.568 -8.596 1.00 0.00 C ATOM 327 CE LYS A 387 -8.738 -3.329 -8.593 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.078 -1.938 -8.185 1.00 0.00 N ATOM 0 H LYS A 387 -4.343 -4.837 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.696 -2.514 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.239 -2.307 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -5.642 -2.279 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -5.892 -4.727 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.531 -4.659 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -6.720 -2.642 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -6.984 -4.296 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.139 -3.524 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.216 -4.034 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.003 -1.676 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.117 -1.880 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -8.351 -1.284 -8.541 1.00 0.00 H new ATOM 342 N ASP A 388 -7.566 -4.006 -3.531 1.00 0.00 N ATOM 343 CA ASP A 388 -8.474 -4.927 -2.859 1.00 0.00 C ATOM 344 C ASP A 388 -9.458 -5.541 -3.851 1.00 0.00 C ATOM 345 O ASP A 388 -9.424 -5.237 -5.042 1.00 0.00 O ATOM 346 CB ASP A 388 -9.236 -4.205 -1.747 1.00 0.00 C ATOM 347 CG ASP A 388 -8.390 -3.998 -0.506 1.00 0.00 C ATOM 348 OD1 ASP A 388 -8.246 -4.957 0.282 1.00 0.00 O ATOM 349 OD2 ASP A 388 -7.871 -2.877 -0.322 1.00 0.00 O ATOM 0 H ASP A 388 -7.716 -3.023 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.880 -5.729 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -9.580 -3.238 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.124 -4.781 -1.486 1.00 0.00 H new ATOM 354 N ALA A 389 -10.332 -6.407 -3.350 1.00 0.00 N ATOM 355 CA ALA A 389 -11.326 -7.063 -4.191 1.00 0.00 C ATOM 356 C ALA A 389 -12.741 -6.719 -3.739 1.00 0.00 C ATOM 357 O ALA A 389 -13.612 -6.435 -4.561 1.00 0.00 O ATOM 358 CB ALA A 389 -11.117 -8.570 -4.177 1.00 0.00 C ATOM 0 H ALA A 389 -10.372 -6.671 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.200 -6.699 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.866 -9.047 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.122 -8.803 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.213 -8.941 -3.157 1.00 0.00 H new ATOM 364 N GLU A 390 -12.962 -6.747 -2.429 1.00 0.00 N ATOM 365 CA GLU A 390 -14.273 -6.439 -1.869 1.00 0.00 C ATOM 366 C GLU A 390 -14.837 -5.158 -2.477 1.00 0.00 C ATOM 367 O GLU A 390 -15.933 -5.154 -3.040 1.00 0.00 O ATOM 368 CB GLU A 390 -14.183 -6.298 -0.348 1.00 0.00 C ATOM 369 CG GLU A 390 -14.212 -7.627 0.389 1.00 0.00 C ATOM 370 CD GLU A 390 -13.686 -7.519 1.807 1.00 0.00 C ATOM 371 OE1 GLU A 390 -12.451 -7.566 1.987 1.00 0.00 O ATOM 372 OE2 GLU A 390 -14.510 -7.386 2.736 1.00 0.00 O ATOM 0 H GLU A 390 -12.251 -6.980 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.945 -7.262 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.263 -5.771 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -15.011 -5.680 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -15.235 -8.003 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -13.617 -8.356 -0.161 1.00 0.00 H new ATOM 379 N THR A 391 -14.080 -4.071 -2.360 1.00 0.00 N ATOM 380 CA THR A 391 -14.504 -2.784 -2.896 1.00 0.00 C ATOM 381 C THR A 391 -13.814 -2.487 -4.222 1.00 0.00 C ATOM 382 O THR A 391 -14.471 -2.265 -5.238 1.00 0.00 O ATOM 383 CB THR A 391 -14.207 -1.640 -1.908 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.806 -1.597 -1.614 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.995 -1.819 -0.619 1.00 0.00 C ATOM 0 H THR A 391 -13.170 -4.057 -1.899 1.00 0.00 H new ATOM 0 HA THR A 391 -15.580 -2.846 -3.056 1.00 0.00 H new ATOM 0 HB THR A 391 -14.509 -0.702 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 391 -12.626 -0.866 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 391 -14.769 -0.999 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 391 -16.062 -1.821 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.720 -2.765 -0.153 1.00 0.00 H new ATOM 393 N GLY A 392 -12.485 -2.483 -4.205 1.00 0.00 N ATOM 394 CA GLY A 392 -11.728 -2.212 -5.413 1.00 0.00 C ATOM 395 C GLY A 392 -11.026 -0.870 -5.369 1.00 0.00 C ATOM 396 O GLY A 392 -10.981 -0.153 -6.368 1.00 0.00 O ATOM 0 H GLY A 392 -11.919 -2.663 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.989 -3.000 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.398 -2.240 -6.272 1.00 0.00 H new ATOM 400 N GLU A 393 -10.479 -0.528 -4.207 1.00 0.00 N ATOM 401 CA GLU A 393 -9.778 0.740 -4.037 1.00 0.00 C ATOM 402 C GLU A 393 -8.318 0.616 -4.464 1.00 0.00 C ATOM 403 O GLU A 393 -7.863 -0.460 -4.849 1.00 0.00 O ATOM 404 CB GLU A 393 -9.858 1.200 -2.580 1.00 0.00 C ATOM 405 CG GLU A 393 -11.218 1.752 -2.189 1.00 0.00 C ATOM 406 CD GLU A 393 -11.516 1.579 -0.712 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.907 0.687 -0.085 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.357 2.335 -0.183 1.00 0.00 O ATOM 0 H GLU A 393 -10.507 -1.110 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 393 -10.262 1.482 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.616 0.360 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -9.102 1.966 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.263 2.811 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.991 1.251 -2.773 1.00 0.00 H new ATOM 415 N GLU A 394 -7.591 1.727 -4.393 1.00 0.00 N ATOM 416 CA GLU A 394 -6.184 1.743 -4.773 1.00 0.00 C ATOM 417 C GLU A 394 -5.286 1.654 -3.542 1.00 0.00 C ATOM 418 O GLU A 394 -5.323 2.523 -2.670 1.00 0.00 O ATOM 419 CB GLU A 394 -5.860 3.012 -5.564 1.00 0.00 C ATOM 420 CG GLU A 394 -6.541 4.257 -5.020 1.00 0.00 C ATOM 421 CD GLU A 394 -6.024 5.531 -5.660 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.827 5.573 -6.015 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.816 6.486 -5.806 1.00 0.00 O ATOM 0 H GLU A 394 -7.953 2.626 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.995 0.873 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.781 3.167 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.158 2.869 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -7.616 4.181 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -6.388 4.308 -3.942 1.00 0.00 H new ATOM 430 N VAL A 395 -4.481 0.599 -3.479 1.00 0.00 N ATOM 431 CA VAL A 395 -3.573 0.396 -2.356 1.00 0.00 C ATOM 432 C VAL A 395 -2.121 0.373 -2.820 1.00 0.00 C ATOM 433 O VAL A 395 -1.702 -0.535 -3.538 1.00 0.00 O ATOM 434 CB VAL A 395 -3.884 -0.916 -1.612 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.913 -1.121 -0.460 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.322 -0.919 -1.115 1.00 0.00 C ATOM 0 H VAL A 395 -4.439 -0.129 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.720 1.234 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.763 -1.745 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.149 -2.053 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.895 -1.167 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.998 -0.290 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.524 -1.854 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.473 -0.082 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.000 -0.824 -1.963 1.00 0.00 H new ATOM 446 N THR A 396 -1.356 1.378 -2.404 1.00 0.00 N ATOM 447 CA THR A 396 0.049 1.473 -2.778 1.00 0.00 C ATOM 448 C THR A 396 0.955 1.081 -1.616 1.00 0.00 C ATOM 449 O THR A 396 1.090 1.824 -0.643 1.00 0.00 O ATOM 450 CB THR A 396 0.412 2.897 -3.239 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.631 3.426 -4.065 1.00 0.00 O ATOM 452 CG2 THR A 396 1.725 2.899 -4.008 1.00 0.00 C ATOM 0 H THR A 396 -1.686 2.137 -1.808 1.00 0.00 H new ATOM 0 HA THR A 396 0.204 0.780 -3.605 1.00 0.00 H new ATOM 0 HB THR A 396 0.526 3.523 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.393 4.332 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 396 1.960 3.915 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.523 2.524 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.634 2.259 -4.886 1.00 0.00 H new ATOM 460 N HIS A 397 1.574 -0.090 -1.723 1.00 0.00 N ATOM 461 CA HIS A 397 2.469 -0.580 -0.680 1.00 0.00 C ATOM 462 C HIS A 397 3.927 -0.332 -1.055 1.00 0.00 C ATOM 463 O HIS A 397 4.324 -0.525 -2.204 1.00 0.00 O ATOM 464 CB HIS A 397 2.238 -2.072 -0.441 1.00 0.00 C ATOM 465 CG HIS A 397 1.016 -2.367 0.374 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.009 -3.174 -0.071 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.659 -1.957 1.614 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.944 -3.248 0.859 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.563 -2.518 1.892 1.00 0.00 N ATOM 0 H HIS A 397 1.473 -0.717 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 397 2.251 -0.035 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.153 -2.577 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.110 -2.490 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.229 -1.309 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.864 -3.810 0.787 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -1.091 -2.392 2.756 1.00 0.00 H new ATOM 477 N TYR A 398 4.718 0.098 -0.078 1.00 0.00 N ATOM 478 CA TYR A 398 6.131 0.375 -0.306 1.00 0.00 C ATOM 479 C TYR A 398 7.010 -0.535 0.546 1.00 0.00 C ATOM 480 O TYR A 398 6.871 -0.584 1.769 1.00 0.00 O ATOM 481 CB TYR A 398 6.442 1.840 0.005 1.00 0.00 C ATOM 482 CG TYR A 398 5.999 2.797 -1.079 1.00 0.00 C ATOM 483 CD1 TYR A 398 6.818 3.073 -2.167 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.760 3.423 -1.017 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.418 3.947 -3.159 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.351 4.297 -2.005 1.00 0.00 C ATOM 487 CZ TYR A 398 5.184 4.556 -3.074 1.00 0.00 C ATOM 488 OH TYR A 398 4.781 5.426 -4.061 1.00 0.00 O ATOM 0 H TYR A 398 4.405 0.262 0.879 1.00 0.00 H new ATOM 0 HA TYR A 398 6.348 0.179 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.956 2.115 0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.516 1.950 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 398 7.784 2.596 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.105 3.223 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.068 4.152 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.385 4.775 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 398 3.887 5.768 -3.851 1.00 0.00 H new ATOM 498 N LEU A 399 7.915 -1.254 -0.107 1.00 0.00 N ATOM 499 CA LEU A 399 8.819 -2.163 0.589 1.00 0.00 C ATOM 500 C LEU A 399 9.812 -1.390 1.450 1.00 0.00 C ATOM 501 O LEU A 399 10.855 -0.948 0.969 1.00 0.00 O ATOM 502 CB LEU A 399 9.570 -3.037 -0.416 1.00 0.00 C ATOM 503 CG LEU A 399 10.317 -4.238 0.164 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.458 -4.953 1.196 1.00 0.00 C ATOM 505 CD2 LEU A 399 10.731 -5.196 -0.944 1.00 0.00 C ATOM 0 H LEU A 399 8.043 -1.225 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 399 8.222 -2.801 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.856 -3.401 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.287 -2.411 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 399 11.218 -3.876 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.006 -5.805 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.213 -4.265 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.539 -5.302 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.261 -6.045 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 399 9.844 -5.551 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.385 -4.679 -1.647 1.00 0.00 H new ATOM 517 N VAL A 400 9.482 -1.231 2.728 1.00 0.00 N ATOM 518 CA VAL A 400 10.346 -0.514 3.658 1.00 0.00 C ATOM 519 C VAL A 400 11.550 -1.362 4.055 1.00 0.00 C ATOM 520 O VAL A 400 11.400 -2.473 4.563 1.00 0.00 O ATOM 521 CB VAL A 400 9.582 -0.101 4.930 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.535 0.494 5.956 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.472 0.882 4.588 1.00 0.00 C ATOM 0 H VAL A 400 8.622 -1.589 3.143 1.00 0.00 H new ATOM 0 HA VAL A 400 10.690 0.383 3.143 1.00 0.00 H new ATOM 0 HB VAL A 400 9.127 -0.991 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 400 9.977 0.780 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.291 -0.245 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.021 1.374 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 400 7.942 1.164 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.903 1.772 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.775 0.416 3.892 1.00 0.00 H new ATOM 533 N LYS A 401 12.744 -0.830 3.820 1.00 0.00 N ATOM 534 CA LYS A 401 13.976 -1.536 4.154 1.00 0.00 C ATOM 535 C LYS A 401 14.595 -0.976 5.430 1.00 0.00 C ATOM 536 O LYS A 401 14.815 0.229 5.547 1.00 0.00 O ATOM 537 CB LYS A 401 14.977 -1.432 3.000 1.00 0.00 C ATOM 538 CG LYS A 401 15.873 -2.650 2.861 1.00 0.00 C ATOM 539 CD LYS A 401 16.891 -2.725 3.986 1.00 0.00 C ATOM 540 CE LYS A 401 17.248 -4.166 4.320 1.00 0.00 C ATOM 541 NZ LYS A 401 16.295 -4.761 5.297 1.00 0.00 N ATOM 0 H LYS A 401 12.885 0.088 3.399 1.00 0.00 H new ATOM 0 HA LYS A 401 13.731 -2.585 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.431 -1.285 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.599 -0.549 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.263 -3.553 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.391 -2.614 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.792 -2.183 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.492 -2.233 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 401 17.250 -4.761 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.258 -4.205 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 16.398 -5.796 5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 16.499 -4.394 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 15.322 -4.509 5.030 1.00 0.00 H new ATOM 555 N TRP A 402 14.874 -1.858 6.383 1.00 0.00 N ATOM 556 CA TRP A 402 15.469 -1.451 7.651 1.00 0.00 C ATOM 557 C TRP A 402 16.386 -2.540 8.196 1.00 0.00 C ATOM 558 O TRP A 402 15.919 -3.559 8.707 1.00 0.00 O ATOM 559 CB TRP A 402 14.376 -1.129 8.671 1.00 0.00 C ATOM 560 CG TRP A 402 13.185 -2.033 8.571 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.162 -3.306 8.075 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.845 -1.733 8.975 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.887 -3.814 8.146 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.061 -2.870 8.696 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.231 -0.616 9.548 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.697 -2.919 8.969 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.877 -0.666 9.818 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.122 -1.811 9.530 1.00 0.00 C ATOM 0 H TRP A 402 14.698 -2.859 6.302 1.00 0.00 H new ATOM 0 HA TRP A 402 16.065 -0.556 7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.794 -1.200 9.675 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.053 -0.097 8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.019 -3.835 7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.602 -4.744 7.839 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.805 0.270 9.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.113 -3.800 8.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.392 0.192 10.259 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.066 -1.819 9.755 1.00 0.00 H new ATOM 579 N CYS A 403 17.691 -2.319 8.085 1.00 0.00 N ATOM 580 CA CYS A 403 18.674 -3.283 8.567 1.00 0.00 C ATOM 581 C CYS A 403 18.277 -3.825 9.937 1.00 0.00 C ATOM 582 O CYS A 403 18.224 -5.037 10.144 1.00 0.00 O ATOM 583 CB CYS A 403 20.058 -2.637 8.642 1.00 0.00 C ATOM 584 SG CYS A 403 21.355 -3.740 9.251 1.00 0.00 S ATOM 0 H CYS A 403 18.093 -1.481 7.665 1.00 0.00 H new ATOM 0 HA CYS A 403 18.707 -4.114 7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.335 -2.281 7.650 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.005 -1.763 9.291 1.00 0.00 H new ATOM 0 HG CYS A 403 22.489 -3.104 9.277 1.00 0.00 H new ATOM 590 N SER A 404 18.001 -2.918 10.869 1.00 0.00 N ATOM 591 CA SER A 404 17.615 -3.305 12.221 1.00 0.00 C ATOM 592 C SER A 404 16.802 -4.596 12.205 1.00 0.00 C ATOM 593 O SER A 404 16.889 -5.409 13.126 1.00 0.00 O ATOM 594 CB SER A 404 16.806 -2.187 12.882 1.00 0.00 C ATOM 595 OG SER A 404 15.639 -1.892 12.136 1.00 0.00 O ATOM 0 H SER A 404 18.038 -1.911 10.713 1.00 0.00 H new ATOM 0 HA SER A 404 18.524 -3.476 12.798 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.529 -2.484 13.894 1.00 0.00 H new ATOM 0 HB3 SER A 404 17.421 -1.292 12.969 1.00 0.00 H new ATOM 0 HG SER A 404 15.139 -1.176 12.580 1.00 0.00 H new ATOM 601 N LEU A 405 16.012 -4.776 11.153 1.00 0.00 N ATOM 602 CA LEU A 405 15.182 -5.968 11.015 1.00 0.00 C ATOM 603 C LEU A 405 15.748 -6.907 9.955 1.00 0.00 C ATOM 604 O LEU A 405 16.481 -6.496 9.055 1.00 0.00 O ATOM 605 CB LEU A 405 13.748 -5.576 10.653 1.00 0.00 C ATOM 606 CG LEU A 405 12.866 -5.111 11.812 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.684 -4.307 11.294 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.386 -6.303 12.628 1.00 0.00 C ATOM 0 H LEU A 405 15.928 -4.112 10.383 1.00 0.00 H new ATOM 0 HA LEU A 405 15.179 -6.491 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.787 -4.779 9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.268 -6.431 10.178 1.00 0.00 H new ATOM 0 HG LEU A 405 13.460 -4.467 12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 405 11.068 -3.985 12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 405 12.047 -3.433 10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.089 -4.926 10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.760 -5.954 13.449 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.808 -6.972 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.246 -6.838 13.030 1.00 0.00 H new ATOM 620 N PRO A 406 15.400 -8.198 10.059 1.00 0.00 N ATOM 621 CA PRO A 406 15.860 -9.221 9.116 1.00 0.00 C ATOM 622 C PRO A 406 15.231 -9.062 7.736 1.00 0.00 C ATOM 623 O PRO A 406 14.014 -8.931 7.609 1.00 0.00 O ATOM 624 CB PRO A 406 15.404 -10.531 9.764 1.00 0.00 C ATOM 625 CG PRO A 406 14.242 -10.149 10.614 1.00 0.00 C ATOM 626 CD PRO A 406 14.529 -8.758 11.107 1.00 0.00 C ATOM 0 HA PRO A 406 16.935 -9.165 8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.119 -11.267 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.201 -10.976 10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.314 -10.177 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.124 -10.842 11.447 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.615 -8.176 11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 406 15.025 -8.770 12.078 1.00 0.00 H new ATOM 634 N TYR A 407 16.068 -9.075 6.705 1.00 0.00 N ATOM 635 CA TYR A 407 15.594 -8.930 5.334 1.00 0.00 C ATOM 636 C TYR A 407 14.314 -9.730 5.113 1.00 0.00 C ATOM 637 O TYR A 407 13.292 -9.183 4.701 1.00 0.00 O ATOM 638 CB TYR A 407 16.671 -9.388 4.349 1.00 0.00 C ATOM 639 CG TYR A 407 17.875 -8.474 4.300 1.00 0.00 C ATOM 640 CD1 TYR A 407 17.871 -7.327 3.517 1.00 0.00 C ATOM 641 CD2 TYR A 407 19.017 -8.759 5.039 1.00 0.00 C ATOM 642 CE1 TYR A 407 18.969 -6.490 3.469 1.00 0.00 C ATOM 643 CE2 TYR A 407 20.119 -7.927 4.999 1.00 0.00 C ATOM 644 CZ TYR A 407 20.091 -6.794 4.212 1.00 0.00 C ATOM 645 OH TYR A 407 21.186 -5.962 4.168 1.00 0.00 O ATOM 0 H TYR A 407 17.078 -9.184 6.793 1.00 0.00 H new ATOM 0 HA TYR A 407 15.377 -7.876 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 407 16.998 -10.391 4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.235 -9.455 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.994 -7.085 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 407 19.043 -9.646 5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 407 18.949 -5.603 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 407 20.998 -8.162 5.581 1.00 0.00 H new ATOM 0 HH TYR A 407 21.891 -6.318 4.749 1.00 0.00 H new ATOM 655 N GLU A 408 14.380 -11.028 5.390 1.00 0.00 N ATOM 656 CA GLU A 408 13.226 -11.904 5.222 1.00 0.00 C ATOM 657 C GLU A 408 11.943 -11.205 5.662 1.00 0.00 C ATOM 658 O GLU A 408 10.883 -11.399 5.067 1.00 0.00 O ATOM 659 CB GLU A 408 13.416 -13.195 6.022 1.00 0.00 C ATOM 660 CG GLU A 408 14.369 -14.181 5.368 1.00 0.00 C ATOM 661 CD GLU A 408 13.700 -15.010 4.288 1.00 0.00 C ATOM 662 OE1 GLU A 408 12.787 -14.484 3.618 1.00 0.00 O ATOM 663 OE2 GLU A 408 14.090 -16.183 4.113 1.00 0.00 O ATOM 0 H GLU A 408 15.219 -11.496 5.731 1.00 0.00 H new ATOM 0 HA GLU A 408 13.141 -12.150 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.790 -12.946 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.447 -13.675 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 408 15.209 -13.637 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 408 14.778 -14.845 6.130 1.00 0.00 H new ATOM 670 N GLU A 409 12.048 -10.391 6.708 1.00 0.00 N ATOM 671 CA GLU A 409 10.896 -9.664 7.228 1.00 0.00 C ATOM 672 C GLU A 409 10.668 -8.374 6.445 1.00 0.00 C ATOM 673 O GLU A 409 10.255 -7.360 7.006 1.00 0.00 O ATOM 674 CB GLU A 409 11.094 -9.345 8.711 1.00 0.00 C ATOM 675 CG GLU A 409 10.761 -10.505 9.633 1.00 0.00 C ATOM 676 CD GLU A 409 9.268 -10.743 9.754 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.625 -10.069 10.586 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.743 -11.604 9.018 1.00 0.00 O ATOM 0 H GLU A 409 12.918 -10.219 7.211 1.00 0.00 H new ATOM 0 HA GLU A 409 10.017 -10.298 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.130 -9.048 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.471 -8.491 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.241 -11.410 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.175 -10.309 10.622 1.00 0.00 H new ATOM 685 N SER A 410 10.941 -8.422 5.145 1.00 0.00 N ATOM 686 CA SER A 410 10.770 -7.257 4.285 1.00 0.00 C ATOM 687 C SER A 410 9.290 -6.948 4.076 1.00 0.00 C ATOM 688 O SER A 410 8.657 -7.473 3.159 1.00 0.00 O ATOM 689 CB SER A 410 11.449 -7.490 2.934 1.00 0.00 C ATOM 690 OG SER A 410 10.893 -8.611 2.270 1.00 0.00 O ATOM 0 H SER A 410 11.281 -9.255 4.664 1.00 0.00 H new ATOM 0 HA SER A 410 11.236 -6.403 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.339 -6.603 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.518 -7.645 3.083 1.00 0.00 H new ATOM 0 HG SER A 410 9.916 -8.584 2.345 1.00 0.00 H new ATOM 696 N THR A 411 8.744 -6.092 4.934 1.00 0.00 N ATOM 697 CA THR A 411 7.339 -5.714 4.846 1.00 0.00 C ATOM 698 C THR A 411 7.146 -4.535 3.899 1.00 0.00 C ATOM 699 O THR A 411 8.108 -3.864 3.524 1.00 0.00 O ATOM 700 CB THR A 411 6.769 -5.346 6.229 1.00 0.00 C ATOM 701 OG1 THR A 411 5.378 -5.027 6.116 1.00 0.00 O ATOM 702 CG2 THR A 411 7.519 -4.165 6.827 1.00 0.00 C ATOM 0 H THR A 411 9.253 -5.647 5.698 1.00 0.00 H new ATOM 0 HA THR A 411 6.802 -6.580 4.459 1.00 0.00 H new ATOM 0 HB THR A 411 6.892 -6.205 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.023 -4.796 7.000 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.099 -3.924 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.572 -4.422 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.424 -3.302 6.168 1.00 0.00 H new ATOM 710 N TRP A 412 5.898 -4.287 3.517 1.00 0.00 N ATOM 711 CA TRP A 412 5.579 -3.188 2.614 1.00 0.00 C ATOM 712 C TRP A 412 4.575 -2.234 3.251 1.00 0.00 C ATOM 713 O TRP A 412 3.366 -2.388 3.081 1.00 0.00 O ATOM 714 CB TRP A 412 5.023 -3.728 1.296 1.00 0.00 C ATOM 715 CG TRP A 412 5.784 -4.907 0.769 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.053 -6.071 1.431 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.374 -5.036 -0.529 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.775 -6.915 0.623 1.00 0.00 N ATOM 719 CE2 TRP A 412 6.985 -6.304 -0.585 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.445 -4.204 -1.650 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.657 -6.757 -1.717 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.113 -4.655 -2.772 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.711 -5.922 -2.800 1.00 0.00 C ATOM 0 H TRP A 412 5.091 -4.833 3.819 1.00 0.00 H new ATOM 0 HA TRP A 412 6.498 -2.637 2.413 1.00 0.00 H new ATOM 0 HB2 TRP A 412 3.980 -4.012 1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.037 -2.933 0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.744 -6.295 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.102 -7.846 0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.986 -3.226 -1.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.119 -7.733 -1.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.175 -4.020 -3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.224 -6.246 -3.693 1.00 0.00 H new ATOM 734 N GLU A 413 5.083 -1.248 3.984 1.00 0.00 N ATOM 735 CA GLU A 413 4.228 -0.270 4.647 1.00 0.00 C ATOM 736 C GLU A 413 3.612 0.689 3.633 1.00 0.00 C ATOM 737 O GLU A 413 4.279 1.138 2.700 1.00 0.00 O ATOM 738 CB GLU A 413 5.027 0.516 5.688 1.00 0.00 C ATOM 739 CG GLU A 413 5.794 -0.365 6.660 1.00 0.00 C ATOM 740 CD GLU A 413 4.952 -0.796 7.846 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.366 0.085 8.509 1.00 0.00 O ATOM 742 OE2 GLU A 413 4.880 -2.015 8.110 1.00 0.00 O ATOM 0 H GLU A 413 6.082 -1.105 4.134 1.00 0.00 H new ATOM 0 HA GLU A 413 3.424 -0.809 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.729 1.173 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.346 1.155 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.156 -1.249 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.671 0.174 7.018 1.00 0.00 H new ATOM 749 N LEU A 414 2.333 0.997 3.820 1.00 0.00 N ATOM 750 CA LEU A 414 1.624 1.902 2.922 1.00 0.00 C ATOM 751 C LEU A 414 2.453 3.151 2.643 1.00 0.00 C ATOM 752 O LEU A 414 3.511 3.352 3.239 1.00 0.00 O ATOM 753 CB LEU A 414 0.275 2.296 3.525 1.00 0.00 C ATOM 754 CG LEU A 414 -0.676 1.144 3.854 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.855 1.643 4.674 1.00 0.00 C ATOM 756 CD2 LEU A 414 -1.158 0.470 2.578 1.00 0.00 C ATOM 0 H LEU A 414 1.766 0.633 4.586 1.00 0.00 H new ATOM 0 HA LEU A 414 1.456 1.382 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.459 2.861 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.228 2.969 2.831 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.133 0.408 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.521 0.810 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.492 2.079 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.398 2.399 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.834 -0.347 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.684 1.197 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.303 0.077 2.029 1.00 0.00 H new ATOM 768 N GLU A 415 1.964 3.988 1.733 1.00 0.00 N ATOM 769 CA GLU A 415 2.661 5.219 1.376 1.00 0.00 C ATOM 770 C GLU A 415 2.626 6.218 2.529 1.00 0.00 C ATOM 771 O GLU A 415 3.574 6.974 2.737 1.00 0.00 O ATOM 772 CB GLU A 415 2.033 5.842 0.128 1.00 0.00 C ATOM 773 CG GLU A 415 2.868 6.956 -0.482 1.00 0.00 C ATOM 774 CD GLU A 415 2.301 7.457 -1.796 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.531 6.710 -2.434 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.629 8.598 -2.186 1.00 0.00 O ATOM 0 H GLU A 415 1.090 3.837 1.230 1.00 0.00 H new ATOM 0 HA GLU A 415 3.701 4.970 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.880 5.063 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.049 6.235 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.930 7.786 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.885 6.597 -0.643 1.00 0.00 H new ATOM 783 N GLU A 416 1.525 6.214 3.275 1.00 0.00 N ATOM 784 CA GLU A 416 1.366 7.121 4.405 1.00 0.00 C ATOM 785 C GLU A 416 2.440 6.870 5.459 1.00 0.00 C ATOM 786 O GLU A 416 2.860 7.788 6.164 1.00 0.00 O ATOM 787 CB GLU A 416 -0.023 6.957 5.028 1.00 0.00 C ATOM 788 CG GLU A 416 -0.297 5.554 5.543 1.00 0.00 C ATOM 789 CD GLU A 416 -1.565 5.474 6.371 1.00 0.00 C ATOM 790 OE1 GLU A 416 -1.868 6.453 7.086 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.253 4.434 6.305 1.00 0.00 O ATOM 0 H GLU A 416 0.731 5.593 3.117 1.00 0.00 H new ATOM 0 HA GLU A 416 1.473 8.141 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.129 7.664 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.778 7.216 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.375 4.870 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 416 0.548 5.221 6.146 1.00 0.00 H new ATOM 798 N ASP A 417 2.880 5.621 5.562 1.00 0.00 N ATOM 799 CA ASP A 417 3.906 5.248 6.529 1.00 0.00 C ATOM 800 C ASP A 417 5.286 5.689 6.053 1.00 0.00 C ATOM 801 O ASP A 417 6.085 6.210 6.832 1.00 0.00 O ATOM 802 CB ASP A 417 3.892 3.736 6.762 1.00 0.00 C ATOM 803 CG ASP A 417 2.497 3.204 7.025 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.766 3.825 7.825 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.136 2.166 6.432 1.00 0.00 O ATOM 0 H ASP A 417 2.542 4.849 4.987 1.00 0.00 H new ATOM 0 HA ASP A 417 3.686 5.754 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 417 4.311 3.233 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.535 3.496 7.609 1.00 0.00 H new ATOM 810 N VAL A 418 5.561 5.476 4.770 1.00 0.00 N ATOM 811 CA VAL A 418 6.845 5.851 4.191 1.00 0.00 C ATOM 812 C VAL A 418 6.858 7.322 3.788 1.00 0.00 C ATOM 813 O VAL A 418 6.111 7.740 2.904 1.00 0.00 O ATOM 814 CB VAL A 418 7.178 4.990 2.958 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.511 5.410 2.357 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.192 3.514 3.328 1.00 0.00 C ATOM 0 H VAL A 418 4.911 5.046 4.112 1.00 0.00 H new ATOM 0 HA VAL A 418 7.600 5.681 4.959 1.00 0.00 H new ATOM 0 HB VAL A 418 6.403 5.146 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.729 4.791 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.460 6.456 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.300 5.285 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.429 2.920 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.945 3.339 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.212 3.225 3.708 1.00 0.00 H new ATOM 826 N ASP A 419 7.711 8.101 4.443 1.00 0.00 N ATOM 827 CA ASP A 419 7.823 9.526 4.153 1.00 0.00 C ATOM 828 C ASP A 419 8.013 9.762 2.657 1.00 0.00 C ATOM 829 O ASP A 419 8.511 8.906 1.927 1.00 0.00 O ATOM 830 CB ASP A 419 8.990 10.137 4.930 1.00 0.00 C ATOM 831 CG ASP A 419 8.594 10.561 6.330 1.00 0.00 C ATOM 832 OD1 ASP A 419 7.405 10.882 6.539 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.472 10.571 7.218 1.00 0.00 O ATOM 0 H ASP A 419 8.335 7.770 5.179 1.00 0.00 H new ATOM 0 HA ASP A 419 6.897 10.009 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.802 9.413 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.372 11.001 4.386 1.00 0.00 H new ATOM 838 N PRO A 420 7.605 10.951 2.190 1.00 0.00 N ATOM 839 CA PRO A 420 7.719 11.328 0.778 1.00 0.00 C ATOM 840 C PRO A 420 9.167 11.546 0.351 1.00 0.00 C ATOM 841 O PRO A 420 9.562 11.171 -0.752 1.00 0.00 O ATOM 842 CB PRO A 420 6.934 12.640 0.696 1.00 0.00 C ATOM 843 CG PRO A 420 6.991 13.202 2.074 1.00 0.00 C ATOM 844 CD PRO A 420 7.002 12.020 3.004 1.00 0.00 C ATOM 0 HA PRO A 420 7.342 10.548 0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.378 13.322 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.905 12.467 0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.883 13.813 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.132 13.844 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.587 12.220 3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.996 11.757 3.331 1.00 0.00 H new ATOM 852 N ALA A 421 9.953 12.155 1.233 1.00 0.00 N ATOM 853 CA ALA A 421 11.358 12.421 0.948 1.00 0.00 C ATOM 854 C ALA A 421 12.086 11.145 0.538 1.00 0.00 C ATOM 855 O ALA A 421 12.776 11.112 -0.482 1.00 0.00 O ATOM 856 CB ALA A 421 12.032 13.049 2.159 1.00 0.00 C ATOM 0 H ALA A 421 9.641 12.473 2.150 1.00 0.00 H new ATOM 0 HA ALA A 421 11.408 13.121 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.081 13.242 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.535 13.987 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.964 12.368 3.007 1.00 0.00 H new ATOM 862 N LYS A 422 11.928 10.096 1.338 1.00 0.00 N ATOM 863 CA LYS A 422 12.569 8.817 1.058 1.00 0.00 C ATOM 864 C LYS A 422 12.199 8.315 -0.334 1.00 0.00 C ATOM 865 O LYS A 422 13.060 7.874 -1.095 1.00 0.00 O ATOM 866 CB LYS A 422 12.165 7.780 2.109 1.00 0.00 C ATOM 867 CG LYS A 422 12.692 8.087 3.500 1.00 0.00 C ATOM 868 CD LYS A 422 14.181 7.804 3.608 1.00 0.00 C ATOM 869 CE LYS A 422 14.445 6.372 4.047 1.00 0.00 C ATOM 870 NZ LYS A 422 14.408 6.230 5.529 1.00 0.00 N ATOM 0 H LYS A 422 11.361 10.107 2.186 1.00 0.00 H new ATOM 0 HA LYS A 422 13.648 8.964 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.077 7.718 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.529 6.800 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.501 9.133 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.153 7.489 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.658 7.984 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.633 8.494 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 422 13.701 5.712 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 422 15.419 6.052 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.034 5.452 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.729 7.115 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 13.435 6.023 5.834 1.00 0.00 H new ATOM 884 N VAL A 423 10.913 8.387 -0.662 1.00 0.00 N ATOM 885 CA VAL A 423 10.429 7.943 -1.964 1.00 0.00 C ATOM 886 C VAL A 423 11.078 8.738 -3.091 1.00 0.00 C ATOM 887 O VAL A 423 11.591 8.167 -4.054 1.00 0.00 O ATOM 888 CB VAL A 423 8.899 8.078 -2.070 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.427 7.716 -3.470 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.214 7.209 -1.026 1.00 0.00 C ATOM 0 H VAL A 423 10.187 8.749 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 423 10.701 6.892 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 423 8.629 9.117 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.343 7.817 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.892 8.384 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.707 6.687 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.133 7.317 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.489 6.166 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.529 7.521 -0.030 1.00 0.00 H new ATOM 900 N LYS A 424 11.053 10.061 -2.966 1.00 0.00 N ATOM 901 CA LYS A 424 11.640 10.937 -3.973 1.00 0.00 C ATOM 902 C LYS A 424 12.963 10.373 -4.480 1.00 0.00 C ATOM 903 O LYS A 424 13.192 10.293 -5.686 1.00 0.00 O ATOM 904 CB LYS A 424 11.858 12.337 -3.396 1.00 0.00 C ATOM 905 CG LYS A 424 10.572 13.121 -3.198 1.00 0.00 C ATOM 906 CD LYS A 424 9.988 13.577 -4.525 1.00 0.00 C ATOM 907 CE LYS A 424 9.071 14.778 -4.346 1.00 0.00 C ATOM 908 NZ LYS A 424 7.884 14.450 -3.509 1.00 0.00 N ATOM 0 H LYS A 424 10.632 10.550 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 424 10.947 11.000 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 424 12.372 12.250 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.516 12.896 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 424 9.845 12.502 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.767 13.989 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 424 10.796 13.833 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.432 12.757 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 424 9.627 15.594 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 424 8.740 15.131 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 7.284 15.294 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 7.339 13.689 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 8.198 14.137 -2.568 1.00 0.00 H new ATOM 922 N GLU A 425 13.830 9.982 -3.550 1.00 0.00 N ATOM 923 CA GLU A 425 15.130 9.425 -3.905 1.00 0.00 C ATOM 924 C GLU A 425 14.969 8.141 -4.713 1.00 0.00 C ATOM 925 O GLU A 425 15.488 8.024 -5.824 1.00 0.00 O ATOM 926 CB GLU A 425 15.951 9.147 -2.644 1.00 0.00 C ATOM 927 CG GLU A 425 17.426 8.906 -2.920 1.00 0.00 C ATOM 928 CD GLU A 425 18.114 10.118 -3.517 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.854 10.426 -4.699 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.912 10.759 -2.802 1.00 0.00 O ATOM 0 H GLU A 425 13.655 10.041 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 425 15.655 10.157 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.851 9.991 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.538 8.276 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.925 8.631 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.531 8.061 -3.601 1.00 0.00 H new ATOM 937 N PHE A 426 14.247 7.179 -4.148 1.00 0.00 N ATOM 938 CA PHE A 426 14.018 5.902 -4.815 1.00 0.00 C ATOM 939 C PHE A 426 13.493 6.115 -6.231 1.00 0.00 C ATOM 940 O PHE A 426 14.090 5.650 -7.202 1.00 0.00 O ATOM 941 CB PHE A 426 13.029 5.054 -4.013 1.00 0.00 C ATOM 942 CG PHE A 426 12.403 3.948 -4.813 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.156 2.858 -5.221 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.062 3.997 -5.157 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.582 1.838 -5.957 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.483 2.980 -5.892 1.00 0.00 C ATOM 947 CZ PHE A 426 11.245 1.899 -6.294 1.00 0.00 C ATOM 0 H PHE A 426 13.810 7.259 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 426 14.971 5.376 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.544 4.624 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.242 5.699 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.203 2.805 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.462 4.840 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.180 0.994 -6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.436 3.030 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 426 10.795 1.104 -6.870 1.00 0.00 H new ATOM 957 N GLU A 427 12.371 6.820 -6.340 1.00 0.00 N ATOM 958 CA GLU A 427 11.764 7.093 -7.638 1.00 0.00 C ATOM 959 C GLU A 427 12.757 7.780 -8.570 1.00 0.00 C ATOM 960 O GLU A 427 12.741 7.562 -9.781 1.00 0.00 O ATOM 961 CB GLU A 427 10.518 7.966 -7.469 1.00 0.00 C ATOM 962 CG GLU A 427 9.312 7.209 -6.939 1.00 0.00 C ATOM 963 CD GLU A 427 9.102 5.881 -7.639 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.393 5.795 -8.851 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.647 4.926 -6.975 1.00 0.00 O ATOM 0 H GLU A 427 11.864 7.212 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 427 11.475 6.141 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.749 8.786 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.263 8.411 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.438 7.036 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.420 7.824 -7.060 1.00 0.00 H new ATOM 972 N SER A 428 13.621 8.611 -7.995 1.00 0.00 N ATOM 973 CA SER A 428 14.620 9.334 -8.774 1.00 0.00 C ATOM 974 C SER A 428 15.637 8.372 -9.380 1.00 0.00 C ATOM 975 O SER A 428 15.885 8.390 -10.586 1.00 0.00 O ATOM 976 CB SER A 428 15.334 10.364 -7.897 1.00 0.00 C ATOM 977 OG SER A 428 16.450 10.920 -8.569 1.00 0.00 O ATOM 0 H SER A 428 13.649 8.800 -6.993 1.00 0.00 H new ATOM 0 HA SER A 428 14.108 9.851 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.639 11.157 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.661 9.893 -6.970 1.00 0.00 H new ATOM 0 HG SER A 428 16.888 11.576 -7.988 1.00 0.00 H new ATOM 983 N LEU A 429 16.225 7.533 -8.534 1.00 0.00 N ATOM 984 CA LEU A 429 17.216 6.562 -8.983 1.00 0.00 C ATOM 985 C LEU A 429 16.876 6.041 -10.376 1.00 0.00 C ATOM 986 O LEU A 429 17.672 6.165 -11.306 1.00 0.00 O ATOM 987 CB LEU A 429 17.301 5.396 -7.997 1.00 0.00 C ATOM 988 CG LEU A 429 17.774 5.744 -6.585 1.00 0.00 C ATOM 989 CD1 LEU A 429 17.331 4.677 -5.596 1.00 0.00 C ATOM 990 CD2 LEU A 429 19.286 5.909 -6.554 1.00 0.00 C ATOM 0 H LEU A 429 16.032 7.506 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 429 18.183 7.062 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 429 16.316 4.935 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 429 17.975 4.646 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 429 17.320 6.691 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 429 17.676 4.941 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 429 16.243 4.609 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.755 3.715 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 429 19.604 6.156 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 429 19.760 4.978 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 429 19.579 6.711 -7.232 1.00 0.00 H new ATOM 1002 N GLN A 430 15.688 5.461 -10.511 1.00 0.00 N ATOM 1003 CA GLN A 430 15.242 4.924 -11.791 1.00 0.00 C ATOM 1004 C GLN A 430 14.836 6.045 -12.741 1.00 0.00 C ATOM 1005 O GLN A 430 14.152 6.990 -12.347 1.00 0.00 O ATOM 1006 CB GLN A 430 14.068 3.965 -11.584 1.00 0.00 C ATOM 1007 CG GLN A 430 12.831 4.633 -11.006 1.00 0.00 C ATOM 1008 CD GLN A 430 11.657 3.681 -10.884 1.00 0.00 C ATOM 1009 OE1 GLN A 430 10.731 3.713 -11.695 1.00 0.00 O ATOM 1010 NE2 GLN A 430 11.690 2.828 -9.867 1.00 0.00 N ATOM 0 H GLN A 430 15.017 5.351 -9.750 1.00 0.00 H new ATOM 0 HA GLN A 430 16.074 4.379 -12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 430 13.811 3.507 -12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 430 14.380 3.160 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 430 13.068 5.039 -10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.548 5.474 -11.639 1.00 0.00 H new ATOM 0 HE21 GLN A 430 12.478 2.837 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 430 10.928 2.164 -9.734 1.00 0.00 H new ATOM 1019 N VAL A 431 15.263 5.936 -13.995 1.00 0.00 N ATOM 1020 CA VAL A 431 14.943 6.940 -15.002 1.00 0.00 C ATOM 1021 C VAL A 431 13.499 7.411 -14.871 1.00 0.00 C ATOM 1022 O VAL A 431 12.613 6.634 -14.515 1.00 0.00 O ATOM 1023 CB VAL A 431 15.167 6.398 -16.427 1.00 0.00 C ATOM 1024 CG1 VAL A 431 14.257 5.210 -16.695 1.00 0.00 C ATOM 1025 CG2 VAL A 431 14.942 7.496 -17.455 1.00 0.00 C ATOM 0 H VAL A 431 15.832 5.162 -14.338 1.00 0.00 H new ATOM 0 HA VAL A 431 15.613 7.782 -14.832 1.00 0.00 H new ATOM 0 HB VAL A 431 16.200 6.060 -16.511 1.00 0.00 H new ATOM 0 HG11 VAL A 431 14.429 4.841 -17.706 1.00 0.00 H new ATOM 0 HG12 VAL A 431 14.472 4.418 -15.978 1.00 0.00 H new ATOM 0 HG13 VAL A 431 13.217 5.519 -16.594 1.00 0.00 H new ATOM 0 HG21 VAL A 431 15.104 7.096 -18.456 1.00 0.00 H new ATOM 0 HG22 VAL A 431 13.920 7.867 -17.374 1.00 0.00 H new ATOM 0 HG23 VAL A 431 15.640 8.313 -17.273 1.00 0.00 H new TER 1035 VAL A 431