USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 314 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 NoAdj-H: A 405 HIS HE2 : A 405 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 374 SER OG : rot -55:sc= 0.035 USER MOD Single : A 375 SER OG : rot -53:sc= 0.602 USER MOD Single : A 377 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= -0.0118 USER MOD Single : A 384 SER OG : rot 81:sc= -0.56 USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 MET CE :methyl -128:sc= -0.686 (180deg=-3.71!) USER MOD Single : A 399 SER OG : rot 84:sc= 0.617 USER MOD Single : A 400 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 HIS : no HE2:sc= -1.28 X(o=-1.3,f=-0.84) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 52:sc= 0.0487 USER MOD Single : A 411 LYS NZ :NH3+ 151:sc= -0.0988 (180deg=-0.922) USER MOD Single : A 412 SER OG : rot 68:sc= 0.446 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 373 6.590 21.315 -5.489 1.00 0.00 N ATOM 2 CA GLY A 373 5.617 22.191 -6.116 1.00 0.00 C ATOM 3 C GLY A 373 5.615 22.069 -7.627 1.00 0.00 C ATOM 4 O GLY A 373 6.481 22.627 -8.302 1.00 0.00 O ATOM 0 HA2 GLY A 373 4.623 21.957 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 373 5.830 23.223 -5.838 1.00 0.00 H new ATOM 8 N SER A 374 4.642 21.337 -8.159 1.00 0.00 N ATOM 9 CA SER A 374 4.535 21.139 -9.600 1.00 0.00 C ATOM 10 C SER A 374 5.825 20.550 -10.164 1.00 0.00 C ATOM 11 O SER A 374 6.185 20.804 -11.314 1.00 0.00 O ATOM 12 CB SER A 374 4.219 22.464 -10.296 1.00 0.00 C ATOM 13 OG SER A 374 3.625 22.246 -11.564 1.00 0.00 O ATOM 0 H SER A 374 3.916 20.871 -7.614 1.00 0.00 H new ATOM 0 HA SER A 374 3.723 20.436 -9.786 1.00 0.00 H new ATOM 0 HB2 SER A 374 3.547 23.054 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 374 5.135 23.043 -10.415 1.00 0.00 H new ATOM 0 HG SER A 374 4.206 21.669 -12.103 1.00 0.00 H new ATOM 19 N SER A 375 6.515 19.761 -9.347 1.00 0.00 N ATOM 20 CA SER A 375 7.766 19.139 -9.762 1.00 0.00 C ATOM 21 C SER A 375 7.721 17.629 -9.543 1.00 0.00 C ATOM 22 O SER A 375 8.736 17.003 -9.242 1.00 0.00 O ATOM 23 CB SER A 375 8.942 19.742 -8.990 1.00 0.00 C ATOM 24 OG SER A 375 10.179 19.284 -9.506 1.00 0.00 O ATOM 0 H SER A 375 6.229 19.538 -8.394 1.00 0.00 H new ATOM 0 HA SER A 375 7.902 19.331 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 375 8.900 20.830 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 375 8.863 19.476 -7.936 1.00 0.00 H new ATOM 0 HG SER A 375 10.179 18.304 -9.535 1.00 0.00 H new ATOM 30 N GLY A 376 6.533 17.051 -9.697 1.00 0.00 N ATOM 31 CA GLY A 376 6.376 15.620 -9.512 1.00 0.00 C ATOM 32 C GLY A 376 6.053 15.253 -8.078 1.00 0.00 C ATOM 33 O GLY A 376 6.811 15.571 -7.162 1.00 0.00 O ATOM 0 H GLY A 376 5.678 17.548 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 376 5.582 15.257 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 376 7.293 15.115 -9.815 1.00 0.00 H new ATOM 37 N SER A 377 4.922 14.582 -7.881 1.00 0.00 N ATOM 38 CA SER A 377 4.497 14.176 -6.546 1.00 0.00 C ATOM 39 C SER A 377 4.495 12.656 -6.416 1.00 0.00 C ATOM 40 O SER A 377 3.443 12.036 -6.260 1.00 0.00 O ATOM 41 CB SER A 377 3.102 14.727 -6.243 1.00 0.00 C ATOM 42 OG SER A 377 3.030 16.115 -6.520 1.00 0.00 O ATOM 0 H SER A 377 4.284 14.308 -8.628 1.00 0.00 H new ATOM 0 HA SER A 377 5.206 14.584 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 377 2.360 14.195 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 377 2.857 14.549 -5.196 1.00 0.00 H new ATOM 0 HG SER A 377 2.128 16.442 -6.320 1.00 0.00 H new ATOM 48 N SER A 378 5.682 12.061 -6.481 1.00 0.00 N ATOM 49 CA SER A 378 5.819 10.614 -6.374 1.00 0.00 C ATOM 50 C SER A 378 6.190 10.206 -4.951 1.00 0.00 C ATOM 51 O SER A 378 5.670 9.227 -4.418 1.00 0.00 O ATOM 52 CB SER A 378 6.878 10.107 -7.354 1.00 0.00 C ATOM 53 OG SER A 378 6.306 9.812 -8.617 1.00 0.00 O ATOM 0 H SER A 378 6.563 12.560 -6.607 1.00 0.00 H new ATOM 0 HA SER A 378 4.858 10.164 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 378 7.658 10.859 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 378 7.354 9.214 -6.950 1.00 0.00 H new ATOM 0 HG SER A 378 7.004 9.492 -9.225 1.00 0.00 H new ATOM 59 N GLY A 379 7.095 10.966 -4.342 1.00 0.00 N ATOM 60 CA GLY A 379 7.521 10.670 -2.987 1.00 0.00 C ATOM 61 C GLY A 379 8.468 9.487 -2.923 1.00 0.00 C ATOM 62 O GLY A 379 8.835 8.923 -3.952 1.00 0.00 O ATOM 0 H GLY A 379 7.541 11.781 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 379 8.011 11.547 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 379 6.646 10.465 -2.371 1.00 0.00 H new ATOM 66 N GLU A 380 8.864 9.113 -1.710 1.00 0.00 N ATOM 67 CA GLU A 380 9.775 7.992 -1.517 1.00 0.00 C ATOM 68 C GLU A 380 9.007 6.717 -1.179 1.00 0.00 C ATOM 69 O GLU A 380 8.980 6.281 -0.028 1.00 0.00 O ATOM 70 CB GLU A 380 10.778 8.306 -0.404 1.00 0.00 C ATOM 71 CG GLU A 380 11.432 9.670 -0.542 1.00 0.00 C ATOM 72 CD GLU A 380 12.060 9.881 -1.905 1.00 0.00 C ATOM 73 OE1 GLU A 380 12.589 8.902 -2.472 1.00 0.00 O ATOM 74 OE2 GLU A 380 12.024 11.025 -2.406 1.00 0.00 O ATOM 0 H GLU A 380 8.568 9.570 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 380 10.316 7.833 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 380 10.269 8.252 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 380 11.553 7.540 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 380 10.687 10.446 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 380 12.196 9.782 0.227 1.00 0.00 H new ATOM 81 N LYS A 381 8.382 6.125 -2.191 1.00 0.00 N ATOM 82 CA LYS A 381 7.612 4.900 -2.004 1.00 0.00 C ATOM 83 C LYS A 381 7.405 4.180 -3.332 1.00 0.00 C ATOM 84 O LYS A 381 6.315 4.181 -3.903 1.00 0.00 O ATOM 85 CB LYS A 381 6.257 5.217 -1.367 1.00 0.00 C ATOM 86 CG LYS A 381 5.699 4.082 -0.527 1.00 0.00 C ATOM 87 CD LYS A 381 6.175 4.168 0.914 1.00 0.00 C ATOM 88 CE LYS A 381 5.566 5.363 1.631 1.00 0.00 C ATOM 89 NZ LYS A 381 5.525 5.163 3.106 1.00 0.00 N ATOM 0 H LYS A 381 8.393 6.473 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 381 8.175 4.245 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 381 6.358 6.105 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 381 5.543 5.460 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 381 4.610 4.110 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 381 6.004 3.127 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.910 3.252 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 381 7.262 4.245 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.145 6.258 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.556 5.533 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.103 5.999 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.952 4.324 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 6.491 5.026 3.465 1.00 0.00 H new ATOM 103 N PRO A 382 8.476 3.547 -3.836 1.00 0.00 N ATOM 104 CA PRO A 382 8.435 2.809 -5.102 1.00 0.00 C ATOM 105 C PRO A 382 7.606 1.533 -5.003 1.00 0.00 C ATOM 106 O PRO A 382 7.220 0.951 -6.017 1.00 0.00 O ATOM 107 CB PRO A 382 9.905 2.472 -5.363 1.00 0.00 C ATOM 108 CG PRO A 382 10.538 2.465 -4.014 1.00 0.00 C ATOM 109 CD PRO A 382 9.807 3.504 -3.209 1.00 0.00 C ATOM 0 HA PRO A 382 7.968 3.390 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.008 1.504 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.371 3.211 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.456 1.482 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.601 2.699 -4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.747 3.228 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.305 4.472 -3.256 1.00 0.00 H new ATOM 117 N TYR A 383 7.334 1.104 -3.775 1.00 0.00 N ATOM 118 CA TYR A 383 6.552 -0.105 -3.544 1.00 0.00 C ATOM 119 C TYR A 383 5.138 0.241 -3.087 1.00 0.00 C ATOM 120 O TYR A 383 4.832 0.202 -1.895 1.00 0.00 O ATOM 121 CB TYR A 383 7.236 -0.988 -2.499 1.00 0.00 C ATOM 122 CG TYR A 383 8.723 -1.147 -2.721 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.213 -1.762 -3.867 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.639 -0.682 -1.785 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.571 -1.910 -4.073 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.998 -0.825 -1.983 1.00 0.00 C ATOM 127 CZ TYR A 383 11.460 -1.439 -3.129 1.00 0.00 C ATOM 128 OH TYR A 383 12.813 -1.584 -3.331 1.00 0.00 O ATOM 0 H TYR A 383 7.643 1.575 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 383 6.487 -0.651 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 383 7.068 -0.562 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.769 -1.973 -2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.520 -2.130 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.282 -0.200 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.935 -2.392 -4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.696 -0.458 -1.245 1.00 0.00 H new ATOM 0 HH TYR A 383 13.300 -1.198 -2.573 1.00 0.00 H new ATOM 138 N SER A 384 4.280 0.579 -4.044 1.00 0.00 N ATOM 139 CA SER A 384 2.898 0.935 -3.741 1.00 0.00 C ATOM 140 C SER A 384 1.929 -0.045 -4.394 1.00 0.00 C ATOM 141 O SER A 384 2.326 -0.879 -5.210 1.00 0.00 O ATOM 142 CB SER A 384 2.600 2.358 -4.216 1.00 0.00 C ATOM 143 OG SER A 384 3.397 3.304 -3.524 1.00 0.00 O ATOM 0 H SER A 384 4.517 0.614 -5.035 1.00 0.00 H new ATOM 0 HA SER A 384 2.764 0.885 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 384 2.787 2.434 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 384 1.545 2.583 -4.060 1.00 0.00 H new ATOM 0 HG SER A 384 4.290 3.337 -3.927 1.00 0.00 H new ATOM 149 N CYS A 385 0.656 0.061 -4.031 1.00 0.00 N ATOM 150 CA CYS A 385 -0.372 -0.815 -4.580 1.00 0.00 C ATOM 151 C CYS A 385 -1.355 -0.028 -5.442 1.00 0.00 C ATOM 152 O CYS A 385 -2.487 0.248 -5.044 1.00 0.00 O ATOM 153 CB CYS A 385 -1.123 -1.525 -3.451 1.00 0.00 C ATOM 154 SG CYS A 385 -2.092 -2.969 -3.995 1.00 0.00 S ATOM 0 H CYS A 385 0.311 0.746 -3.358 1.00 0.00 H new ATOM 0 HA CYS A 385 0.118 -1.560 -5.207 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.404 -1.846 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.793 -0.812 -2.970 1.00 0.00 H new ATOM 159 N PRO A 386 -0.913 0.344 -6.653 1.00 0.00 N ATOM 160 CA PRO A 386 -1.737 1.104 -7.597 1.00 0.00 C ATOM 161 C PRO A 386 -2.885 0.276 -8.162 1.00 0.00 C ATOM 162 O PRO A 386 -3.765 0.800 -8.845 1.00 0.00 O ATOM 163 CB PRO A 386 -0.751 1.479 -8.706 1.00 0.00 C ATOM 164 CG PRO A 386 0.307 0.432 -8.643 1.00 0.00 C ATOM 165 CD PRO A 386 0.425 0.050 -7.193 1.00 0.00 C ATOM 0 HA PRO A 386 -2.213 1.962 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.238 1.491 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.334 2.473 -8.545 1.00 0.00 H new ATOM 0 HG2 PRO A 386 0.039 -0.431 -9.253 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.255 0.811 -9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.684 -1.002 -7.074 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.198 0.628 -6.687 1.00 0.00 H new ATOM 173 N VAL A 387 -2.870 -1.022 -7.874 1.00 0.00 N ATOM 174 CA VAL A 387 -3.911 -1.923 -8.353 1.00 0.00 C ATOM 175 C VAL A 387 -5.252 -1.610 -7.699 1.00 0.00 C ATOM 176 O VAL A 387 -6.294 -1.621 -8.357 1.00 0.00 O ATOM 177 CB VAL A 387 -3.550 -3.395 -8.077 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.661 -4.317 -8.555 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.228 -3.752 -8.740 1.00 0.00 C ATOM 0 H VAL A 387 -2.148 -1.473 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 387 -3.990 -1.771 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.439 -3.528 -7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.387 -5.352 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.585 -4.076 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -4.808 -4.185 -9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -1.988 -4.795 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.309 -3.603 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.438 -3.114 -8.344 1.00 0.00 H new ATOM 189 N CYS A 388 -5.221 -1.330 -6.401 1.00 0.00 N ATOM 190 CA CYS A 388 -6.433 -1.013 -5.656 1.00 0.00 C ATOM 191 C CYS A 388 -6.380 0.411 -5.112 1.00 0.00 C ATOM 192 O CYS A 388 -7.414 1.044 -4.896 1.00 0.00 O ATOM 193 CB CYS A 388 -6.625 -2.004 -4.506 1.00 0.00 C ATOM 194 SG CYS A 388 -5.404 -1.831 -3.165 1.00 0.00 S ATOM 0 H CYS A 388 -4.368 -1.316 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.279 -1.091 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.625 -1.874 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.573 -3.018 -4.902 1.00 0.00 H new ATOM 199 N GLY A 389 -5.168 0.911 -4.892 1.00 0.00 N ATOM 200 CA GLY A 389 -5.002 2.256 -4.374 1.00 0.00 C ATOM 201 C GLY A 389 -4.586 2.270 -2.917 1.00 0.00 C ATOM 202 O GLY A 389 -5.393 2.570 -2.036 1.00 0.00 O ATOM 0 H GLY A 389 -4.297 0.408 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.253 2.780 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.938 2.803 -4.486 1.00 0.00 H new ATOM 206 N LEU A 390 -3.324 1.944 -2.660 1.00 0.00 N ATOM 207 CA LEU A 390 -2.802 1.918 -1.298 1.00 0.00 C ATOM 208 C LEU A 390 -1.283 1.781 -1.300 1.00 0.00 C ATOM 209 O LEU A 390 -0.744 0.744 -1.687 1.00 0.00 O ATOM 210 CB LEU A 390 -3.429 0.765 -0.513 1.00 0.00 C ATOM 211 CG LEU A 390 -3.366 0.879 1.011 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.525 0.129 1.650 1.00 0.00 C ATOM 213 CD2 LEU A 390 -2.036 0.354 1.531 1.00 0.00 C ATOM 0 H LEU A 390 -2.643 1.694 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.062 2.861 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.475 0.677 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.935 -0.161 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 390 -3.448 1.932 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.464 0.221 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -5.468 0.552 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -4.475 -0.924 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -2.009 0.443 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -1.923 -0.693 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -1.221 0.935 1.099 1.00 0.00 H new ATOM 225 N ARG A 391 -0.599 2.833 -0.863 1.00 0.00 N ATOM 226 CA ARG A 391 0.859 2.830 -0.813 1.00 0.00 C ATOM 227 C ARG A 391 1.365 1.813 0.205 1.00 0.00 C ATOM 228 O ARG A 391 0.633 1.402 1.106 1.00 0.00 O ATOM 229 CB ARG A 391 1.381 4.224 -0.461 1.00 0.00 C ATOM 230 CG ARG A 391 1.455 5.165 -1.652 1.00 0.00 C ATOM 231 CD ARG A 391 1.611 6.612 -1.210 1.00 0.00 C ATOM 232 NE ARG A 391 3.014 6.997 -1.084 1.00 0.00 N ATOM 233 CZ ARG A 391 3.416 8.153 -0.568 1.00 0.00 C ATOM 234 NH1 ARG A 391 2.525 9.033 -0.132 1.00 0.00 N ATOM 235 NH2 ARG A 391 4.711 8.431 -0.487 1.00 0.00 N ATOM 0 H ARG A 391 -1.030 3.698 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 391 1.231 2.549 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.735 4.663 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.374 4.131 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 391 2.296 4.885 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.552 5.063 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 391 1.119 7.266 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 391 1.108 6.755 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 391 3.725 6.342 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 391 1.529 8.823 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 391 2.836 9.920 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 391 5.399 7.757 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 391 5.018 9.319 -0.091 1.00 0.00 H new ATOM 249 N PHE A 392 2.623 1.409 0.056 1.00 0.00 N ATOM 250 CA PHE A 392 3.227 0.439 0.961 1.00 0.00 C ATOM 251 C PHE A 392 4.672 0.816 1.276 1.00 0.00 C ATOM 252 O PHE A 392 5.413 1.267 0.402 1.00 0.00 O ATOM 253 CB PHE A 392 3.175 -0.962 0.350 1.00 0.00 C ATOM 254 CG PHE A 392 1.959 -1.747 0.752 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.727 -1.486 0.173 1.00 0.00 C ATOM 256 CD2 PHE A 392 2.048 -2.745 1.709 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.393 -2.206 0.542 1.00 0.00 C ATOM 258 CE2 PHE A 392 0.931 -3.469 2.082 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.291 -3.199 1.497 1.00 0.00 C ATOM 0 H PHE A 392 3.243 1.739 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 392 2.658 0.443 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.200 -0.877 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 392 4.068 -1.513 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.642 -0.711 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 392 3.001 -2.960 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.348 -1.993 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 392 1.014 -4.244 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.165 -3.763 1.786 1.00 0.00 H new ATOM 269 N LYS A 393 5.067 0.628 2.530 1.00 0.00 N ATOM 270 CA LYS A 393 6.422 0.946 2.963 1.00 0.00 C ATOM 271 C LYS A 393 7.330 -0.275 2.852 1.00 0.00 C ATOM 272 O LYS A 393 8.536 -0.147 2.647 1.00 0.00 O ATOM 273 CB LYS A 393 6.413 1.458 4.405 1.00 0.00 C ATOM 274 CG LYS A 393 7.554 2.409 4.720 1.00 0.00 C ATOM 275 CD LYS A 393 8.802 1.658 5.154 1.00 0.00 C ATOM 276 CE LYS A 393 9.714 2.534 6.000 1.00 0.00 C ATOM 277 NZ LYS A 393 10.961 1.821 6.390 1.00 0.00 N ATOM 0 H LYS A 393 4.466 0.256 3.266 1.00 0.00 H new ATOM 0 HA LYS A 393 6.811 1.727 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 393 5.466 1.964 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 393 6.463 0.607 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 393 7.779 3.013 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 393 7.249 3.096 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 393 8.516 0.773 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 393 9.343 1.311 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 393 9.970 3.436 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 393 9.182 2.853 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 11.556 2.451 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 10.718 0.974 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 11.482 1.539 5.535 1.00 0.00 H new ATOM 291 N ARG A 394 6.740 -1.459 2.988 1.00 0.00 N ATOM 292 CA ARG A 394 7.496 -2.703 2.903 1.00 0.00 C ATOM 293 C ARG A 394 7.464 -3.262 1.484 1.00 0.00 C ATOM 294 O ARG A 394 6.451 -3.169 0.791 1.00 0.00 O ATOM 295 CB ARG A 394 6.933 -3.734 3.882 1.00 0.00 C ATOM 296 CG ARG A 394 7.398 -3.532 5.315 1.00 0.00 C ATOM 297 CD ARG A 394 8.877 -3.851 5.471 1.00 0.00 C ATOM 298 NE ARG A 394 9.234 -4.123 6.861 1.00 0.00 N ATOM 299 CZ ARG A 394 9.384 -3.176 7.780 1.00 0.00 C ATOM 300 NH1 ARG A 394 9.207 -1.902 7.459 1.00 0.00 N ATOM 301 NH2 ARG A 394 9.711 -3.502 9.024 1.00 0.00 N ATOM 0 H ARG A 394 5.742 -1.582 3.157 1.00 0.00 H new ATOM 0 HA ARG A 394 8.532 -2.489 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 394 5.844 -3.693 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.223 -4.732 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.213 -2.501 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 394 6.815 -4.168 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 394 9.128 -4.715 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 394 9.469 -3.014 5.102 1.00 0.00 H new ATOM 0 HE ARG A 394 9.376 -5.093 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 394 8.955 -1.647 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 394 9.323 -1.177 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 394 9.848 -4.481 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 394 9.826 -2.774 9.729 1.00 0.00 H new ATOM 315 N LYS A 395 8.581 -3.843 1.058 1.00 0.00 N ATOM 316 CA LYS A 395 8.682 -4.419 -0.278 1.00 0.00 C ATOM 317 C LYS A 395 8.228 -5.875 -0.279 1.00 0.00 C ATOM 318 O LYS A 395 7.782 -6.395 -1.302 1.00 0.00 O ATOM 319 CB LYS A 395 10.121 -4.322 -0.790 1.00 0.00 C ATOM 320 CG LYS A 395 10.317 -4.921 -2.171 1.00 0.00 C ATOM 321 CD LYS A 395 11.781 -4.919 -2.577 1.00 0.00 C ATOM 322 CE LYS A 395 12.093 -6.050 -3.546 1.00 0.00 C ATOM 323 NZ LYS A 395 11.757 -5.686 -4.950 1.00 0.00 N ATOM 0 H LYS A 395 9.429 -3.927 1.619 1.00 0.00 H new ATOM 0 HA LYS A 395 8.028 -3.853 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.420 -3.274 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.783 -4.828 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.937 -5.942 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.736 -4.356 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.030 -3.964 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 395 12.406 -5.016 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 395 13.151 -6.303 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.533 -6.940 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 11.984 -6.483 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 10.742 -5.469 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 12.310 -4.852 -5.234 1.00 0.00 H new ATOM 337 N ASP A 396 8.343 -6.526 0.873 1.00 0.00 N ATOM 338 CA ASP A 396 7.942 -7.922 1.006 1.00 0.00 C ATOM 339 C ASP A 396 6.473 -8.030 1.400 1.00 0.00 C ATOM 340 O ASP A 396 5.762 -8.927 0.946 1.00 0.00 O ATOM 341 CB ASP A 396 8.815 -8.629 2.043 1.00 0.00 C ATOM 342 CG ASP A 396 8.863 -10.130 1.834 1.00 0.00 C ATOM 343 OD1 ASP A 396 8.979 -10.563 0.668 1.00 0.00 O ATOM 344 OD2 ASP A 396 8.785 -10.871 2.835 1.00 0.00 O ATOM 0 H ASP A 396 8.711 -6.110 1.728 1.00 0.00 H new ATOM 0 HA ASP A 396 8.076 -8.407 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 396 9.827 -8.226 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.432 -8.416 3.041 1.00 0.00 H new ATOM 349 N ARG A 397 6.024 -7.111 2.249 1.00 0.00 N ATOM 350 CA ARG A 397 4.640 -7.104 2.706 1.00 0.00 C ATOM 351 C ARG A 397 3.696 -6.700 1.577 1.00 0.00 C ATOM 352 O ARG A 397 2.567 -7.184 1.495 1.00 0.00 O ATOM 353 CB ARG A 397 4.476 -6.148 3.889 1.00 0.00 C ATOM 354 CG ARG A 397 3.163 -6.323 4.636 1.00 0.00 C ATOM 355 CD ARG A 397 3.330 -6.057 6.124 1.00 0.00 C ATOM 356 NE ARG A 397 3.259 -4.632 6.437 1.00 0.00 N ATOM 357 CZ ARG A 397 2.999 -4.159 7.650 1.00 0.00 C ATOM 358 NH1 ARG A 397 2.787 -4.992 8.660 1.00 0.00 N ATOM 359 NH2 ARG A 397 2.952 -2.848 7.856 1.00 0.00 N ATOM 0 H ARG A 397 6.599 -6.362 2.634 1.00 0.00 H new ATOM 0 HA ARG A 397 4.384 -8.114 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 397 5.302 -6.298 4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 397 4.545 -5.122 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 397 2.416 -5.644 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 397 2.790 -7.336 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 397 2.555 -6.588 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 397 4.289 -6.454 6.458 1.00 0.00 H new ATOM 0 HE ARG A 397 3.418 -3.964 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 397 2.823 -6.000 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 397 2.588 -4.625 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 397 3.116 -2.204 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 397 2.752 -2.485 8.788 1.00 0.00 H new ATOM 373 N MET A 398 4.166 -5.810 0.710 1.00 0.00 N ATOM 374 CA MET A 398 3.364 -5.341 -0.414 1.00 0.00 C ATOM 375 C MET A 398 3.208 -6.436 -1.465 1.00 0.00 C ATOM 376 O MET A 398 2.235 -6.452 -2.218 1.00 0.00 O ATOM 377 CB MET A 398 4.004 -4.102 -1.044 1.00 0.00 C ATOM 378 CG MET A 398 5.384 -4.361 -1.628 1.00 0.00 C ATOM 379 SD MET A 398 5.332 -4.740 -3.390 1.00 0.00 S ATOM 380 CE MET A 398 7.034 -4.431 -3.853 1.00 0.00 C ATOM 0 H MET A 398 5.098 -5.399 0.764 1.00 0.00 H new ATOM 0 HA MET A 398 2.375 -5.079 -0.037 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.350 -3.726 -1.831 1.00 0.00 H new ATOM 0 HB3 MET A 398 4.079 -3.319 -0.290 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.013 -3.485 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.850 -5.190 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.062 -3.753 -4.706 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.563 -3.980 -3.013 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.514 -5.372 -4.122 1.00 0.00 H new ATOM 390 N SER A 399 4.173 -7.349 -1.509 1.00 0.00 N ATOM 391 CA SER A 399 4.144 -8.446 -2.470 1.00 0.00 C ATOM 392 C SER A 399 3.040 -9.440 -2.126 1.00 0.00 C ATOM 393 O SER A 399 2.523 -10.138 -3.000 1.00 0.00 O ATOM 394 CB SER A 399 5.497 -9.160 -2.502 1.00 0.00 C ATOM 395 OG SER A 399 6.493 -8.339 -3.087 1.00 0.00 O ATOM 0 H SER A 399 4.984 -7.351 -0.891 1.00 0.00 H new ATOM 0 HA SER A 399 3.938 -8.028 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 399 5.793 -9.430 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.409 -10.088 -3.066 1.00 0.00 H new ATOM 0 HG SER A 399 6.854 -7.730 -2.410 1.00 0.00 H new ATOM 401 N TYR A 400 2.682 -9.500 -0.848 1.00 0.00 N ATOM 402 CA TYR A 400 1.641 -10.410 -0.388 1.00 0.00 C ATOM 403 C TYR A 400 0.260 -9.780 -0.539 1.00 0.00 C ATOM 404 O TYR A 400 -0.744 -10.480 -0.675 1.00 0.00 O ATOM 405 CB TYR A 400 1.881 -10.795 1.073 1.00 0.00 C ATOM 406 CG TYR A 400 1.045 -11.967 1.536 1.00 0.00 C ATOM 407 CD1 TYR A 400 -0.234 -11.775 2.045 1.00 0.00 C ATOM 408 CD2 TYR A 400 1.533 -13.266 1.463 1.00 0.00 C ATOM 409 CE1 TYR A 400 -1.001 -12.843 2.470 1.00 0.00 C ATOM 410 CE2 TYR A 400 0.772 -14.339 1.884 1.00 0.00 C ATOM 411 CZ TYR A 400 -0.494 -14.123 2.387 1.00 0.00 C ATOM 412 OH TYR A 400 -1.255 -15.189 2.807 1.00 0.00 O ATOM 0 H TYR A 400 3.098 -8.929 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 400 1.680 -11.308 -1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.935 -11.036 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 400 1.667 -9.934 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 400 -0.635 -10.774 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 400 2.524 -13.440 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 400 -1.992 -12.676 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 400 1.166 -15.342 1.820 1.00 0.00 H new ATOM 0 HH TYR A 400 -0.752 -16.020 2.680 1.00 0.00 H new ATOM 422 N HIS A 401 0.217 -8.451 -0.515 1.00 0.00 N ATOM 423 CA HIS A 401 -1.040 -7.724 -0.651 1.00 0.00 C ATOM 424 C HIS A 401 -1.356 -7.455 -2.119 1.00 0.00 C ATOM 425 O HIS A 401 -2.416 -7.834 -2.616 1.00 0.00 O ATOM 426 CB HIS A 401 -0.976 -6.405 0.120 1.00 0.00 C ATOM 427 CG HIS A 401 -2.157 -5.515 -0.118 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.400 -5.750 0.431 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.279 -4.383 -0.850 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.236 -4.802 0.046 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.580 -3.960 -0.732 1.00 0.00 N ATOM 0 H HIS A 401 1.038 -7.856 -0.403 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.836 -8.341 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.902 -6.620 1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.067 -5.873 -0.162 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.637 -6.534 1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.498 -3.902 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.278 -4.728 0.321 1.00 0.00 H new ATOM 439 N VAL A 402 -0.429 -6.796 -2.808 1.00 0.00 N ATOM 440 CA VAL A 402 -0.608 -6.476 -4.219 1.00 0.00 C ATOM 441 C VAL A 402 -0.929 -7.727 -5.029 1.00 0.00 C ATOM 442 O VAL A 402 -1.584 -7.654 -6.069 1.00 0.00 O ATOM 443 CB VAL A 402 0.647 -5.805 -4.806 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.442 -5.484 -6.278 1.00 0.00 C ATOM 445 CG2 VAL A 402 0.996 -4.549 -4.021 1.00 0.00 C ATOM 0 H VAL A 402 0.454 -6.473 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.445 -5.781 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 402 1.482 -6.501 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.340 -5.010 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.244 -6.405 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.405 -4.807 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.886 -4.088 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.164 -3.847 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.189 -4.812 -2.981 1.00 0.00 H new ATOM 455 N ARG A 403 -0.464 -8.874 -4.546 1.00 0.00 N ATOM 456 CA ARG A 403 -0.700 -10.142 -5.226 1.00 0.00 C ATOM 457 C ARG A 403 -2.139 -10.607 -5.023 1.00 0.00 C ATOM 458 O ARG A 403 -2.717 -11.265 -5.888 1.00 0.00 O ATOM 459 CB ARG A 403 0.269 -11.208 -4.715 1.00 0.00 C ATOM 460 CG ARG A 403 1.573 -11.270 -5.494 1.00 0.00 C ATOM 461 CD ARG A 403 1.408 -12.039 -6.796 1.00 0.00 C ATOM 462 NE ARG A 403 1.309 -13.479 -6.573 1.00 0.00 N ATOM 463 CZ ARG A 403 0.964 -14.347 -7.517 1.00 0.00 C ATOM 464 NH1 ARG A 403 0.685 -13.923 -8.742 1.00 0.00 N ATOM 465 NH2 ARG A 403 0.896 -15.642 -7.237 1.00 0.00 N ATOM 0 H ARG A 403 0.079 -8.952 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.532 -9.991 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.491 -11.012 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 403 -0.218 -12.182 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 403 1.918 -10.259 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.340 -11.746 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 403 0.514 -11.690 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.255 -11.831 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 403 1.516 -13.838 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 403 0.735 -12.928 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 403 0.420 -14.592 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 403 1.109 -15.972 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 403 0.631 -16.308 -7.963 1.00 0.00 H new ATOM 479 N SER A 404 -2.711 -10.262 -3.874 1.00 0.00 N ATOM 480 CA SER A 404 -4.080 -10.649 -3.555 1.00 0.00 C ATOM 481 C SER A 404 -5.032 -10.254 -4.680 1.00 0.00 C ATOM 482 O SER A 404 -6.049 -10.910 -4.907 1.00 0.00 O ATOM 483 CB SER A 404 -4.524 -9.997 -2.244 1.00 0.00 C ATOM 484 OG SER A 404 -5.505 -10.784 -1.590 1.00 0.00 O ATOM 0 H SER A 404 -2.247 -9.715 -3.148 1.00 0.00 H new ATOM 0 HA SER A 404 -4.108 -11.733 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.662 -9.866 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 404 -4.925 -9.004 -2.446 1.00 0.00 H new ATOM 0 HG SER A 404 -5.771 -10.347 -0.754 1.00 0.00 H new ATOM 490 N HIS A 405 -4.694 -9.177 -5.382 1.00 0.00 N ATOM 491 CA HIS A 405 -5.518 -8.694 -6.484 1.00 0.00 C ATOM 492 C HIS A 405 -5.309 -9.547 -7.732 1.00 0.00 C ATOM 493 O HIS A 405 -6.233 -10.208 -8.206 1.00 0.00 O ATOM 494 CB HIS A 405 -5.191 -7.232 -6.791 1.00 0.00 C ATOM 495 CG HIS A 405 -5.184 -6.354 -5.578 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.305 -6.122 -4.810 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.182 -5.650 -5.001 1.00 0.00 C ATOM 498 CE1 HIS A 405 -5.994 -5.312 -3.813 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.711 -5.011 -3.906 1.00 0.00 N ATOM 0 H HIS A 405 -3.856 -8.623 -5.207 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.563 -8.769 -6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.215 -7.180 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.920 -6.847 -7.504 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.230 -6.514 -4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.157 -5.600 -5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -6.673 -4.957 -3.052 1.00 0.00 H new ATOM 507 N ASP A 406 -4.091 -9.525 -8.261 1.00 0.00 N ATOM 508 CA ASP A 406 -3.761 -10.296 -9.454 1.00 0.00 C ATOM 509 C ASP A 406 -3.346 -11.717 -9.085 1.00 0.00 C ATOM 510 O ASP A 406 -2.176 -12.080 -9.192 1.00 0.00 O ATOM 511 CB ASP A 406 -2.639 -9.611 -10.236 1.00 0.00 C ATOM 512 CG ASP A 406 -2.670 -9.952 -11.712 1.00 0.00 C ATOM 513 OD1 ASP A 406 -3.720 -9.730 -12.350 1.00 0.00 O ATOM 514 OD2 ASP A 406 -1.644 -10.441 -12.231 1.00 0.00 O ATOM 0 H ASP A 406 -3.315 -8.981 -7.882 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.651 -10.348 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.722 -8.531 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.676 -9.906 -9.818 1.00 0.00 H new ATOM 519 N GLY A 407 -4.315 -12.516 -8.649 1.00 0.00 N ATOM 520 CA GLY A 407 -4.030 -13.888 -8.270 1.00 0.00 C ATOM 521 C GLY A 407 -3.853 -14.796 -9.470 1.00 0.00 C ATOM 522 O GLY A 407 -2.771 -15.341 -9.690 1.00 0.00 O ATOM 0 H GLY A 407 -5.292 -12.238 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -3.125 -13.913 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -4.842 -14.266 -7.649 1.00 0.00 H new ATOM 526 N SER A 408 -4.918 -14.962 -10.247 1.00 0.00 N ATOM 527 CA SER A 408 -4.876 -15.816 -11.429 1.00 0.00 C ATOM 528 C SER A 408 -4.236 -15.085 -12.605 1.00 0.00 C ATOM 529 O SER A 408 -4.880 -14.275 -13.273 1.00 0.00 O ATOM 530 CB SER A 408 -6.288 -16.272 -11.804 1.00 0.00 C ATOM 531 OG SER A 408 -7.231 -15.236 -11.594 1.00 0.00 O ATOM 0 H SER A 408 -5.820 -14.517 -10.080 1.00 0.00 H new ATOM 0 HA SER A 408 -4.269 -16.691 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 408 -6.308 -16.580 -12.849 1.00 0.00 H new ATOM 0 HB3 SER A 408 -6.562 -17.143 -11.209 1.00 0.00 H new ATOM 0 HG SER A 408 -6.923 -14.418 -12.038 1.00 0.00 H new ATOM 537 N VAL A 409 -2.964 -15.376 -12.853 1.00 0.00 N ATOM 538 CA VAL A 409 -2.235 -14.749 -13.949 1.00 0.00 C ATOM 539 C VAL A 409 -2.728 -15.257 -15.299 1.00 0.00 C ATOM 540 O VAL A 409 -2.265 -16.284 -15.794 1.00 0.00 O ATOM 541 CB VAL A 409 -0.721 -15.007 -13.837 1.00 0.00 C ATOM 542 CG1 VAL A 409 0.038 -14.193 -14.874 1.00 0.00 C ATOM 543 CG2 VAL A 409 -0.229 -14.689 -12.433 1.00 0.00 C ATOM 0 H VAL A 409 -2.416 -16.043 -12.309 1.00 0.00 H new ATOM 0 HA VAL A 409 -2.419 -13.677 -13.879 1.00 0.00 H new ATOM 0 HB VAL A 409 -0.535 -16.063 -14.032 1.00 0.00 H new ATOM 0 HG11 VAL A 409 1.106 -14.388 -14.779 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -0.295 -14.475 -15.873 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -0.152 -13.132 -14.714 1.00 0.00 H new ATOM 0 HG21 VAL A 409 0.843 -14.877 -12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -0.427 -13.641 -12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -0.750 -15.321 -11.713 1.00 0.00 H new ATOM 553 N GLY A 410 -3.671 -14.530 -15.891 1.00 0.00 N ATOM 554 CA GLY A 410 -4.211 -14.923 -17.180 1.00 0.00 C ATOM 555 C GLY A 410 -4.854 -13.765 -17.916 1.00 0.00 C ATOM 556 O GLY A 410 -5.977 -13.878 -18.408 1.00 0.00 O ATOM 0 H GLY A 410 -4.071 -13.676 -15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -3.412 -15.341 -17.793 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -4.949 -15.713 -17.036 1.00 0.00 H new ATOM 560 N LYS A 411 -4.142 -12.646 -17.992 1.00 0.00 N ATOM 561 CA LYS A 411 -4.649 -11.460 -18.674 1.00 0.00 C ATOM 562 C LYS A 411 -4.943 -11.760 -20.140 1.00 0.00 C ATOM 563 O LYS A 411 -4.038 -11.768 -20.975 1.00 0.00 O ATOM 564 CB LYS A 411 -3.639 -10.315 -18.568 1.00 0.00 C ATOM 565 CG LYS A 411 -4.242 -8.946 -18.832 1.00 0.00 C ATOM 566 CD LYS A 411 -4.229 -8.607 -20.313 1.00 0.00 C ATOM 567 CE LYS A 411 -4.467 -7.123 -20.547 1.00 0.00 C ATOM 568 NZ LYS A 411 -4.361 -6.765 -21.989 1.00 0.00 N ATOM 0 H LYS A 411 -3.211 -12.535 -17.590 1.00 0.00 H new ATOM 0 HA LYS A 411 -5.579 -11.162 -18.189 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -3.197 -10.322 -17.571 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -2.829 -10.489 -19.277 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -5.267 -8.921 -18.461 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -3.685 -8.189 -18.280 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -3.271 -8.895 -20.745 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -4.997 -9.185 -20.827 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -5.455 -6.851 -20.177 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -3.742 -6.544 -19.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -4.970 -5.946 -22.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -3.374 -6.526 -22.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -4.664 -7.572 -22.570 1.00 0.00 H new ATOM 582 N SER A 412 -6.213 -12.004 -20.446 1.00 0.00 N ATOM 583 CA SER A 412 -6.625 -12.306 -21.812 1.00 0.00 C ATOM 584 C SER A 412 -7.993 -11.701 -22.113 1.00 0.00 C ATOM 585 O SER A 412 -8.957 -11.922 -21.381 1.00 0.00 O ATOM 586 CB SER A 412 -6.665 -13.820 -22.032 1.00 0.00 C ATOM 587 OG SER A 412 -5.654 -14.471 -21.282 1.00 0.00 O ATOM 0 H SER A 412 -6.974 -11.999 -19.767 1.00 0.00 H new ATOM 0 HA SER A 412 -5.895 -11.866 -22.491 1.00 0.00 H new ATOM 0 HB2 SER A 412 -7.642 -14.207 -21.744 1.00 0.00 H new ATOM 0 HB3 SER A 412 -6.535 -14.040 -23.092 1.00 0.00 H new ATOM 0 HG SER A 412 -5.859 -14.400 -20.326 1.00 0.00 H new ATOM 593 N GLY A 413 -8.069 -10.935 -23.197 1.00 0.00 N ATOM 594 CA GLY A 413 -9.322 -10.309 -23.577 1.00 0.00 C ATOM 595 C GLY A 413 -9.178 -9.414 -24.792 1.00 0.00 C ATOM 596 O GLY A 413 -9.586 -9.765 -25.899 1.00 0.00 O ATOM 0 H GLY A 413 -7.285 -10.737 -23.819 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -10.062 -11.082 -23.784 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.700 -9.722 -22.740 1.00 0.00 H new ATOM 600 N PRO A 414 -8.586 -8.227 -24.591 1.00 0.00 N ATOM 601 CA PRO A 414 -8.377 -7.255 -25.668 1.00 0.00 C ATOM 602 C PRO A 414 -7.327 -7.719 -26.673 1.00 0.00 C ATOM 603 O PRO A 414 -6.131 -7.499 -26.481 1.00 0.00 O ATOM 604 CB PRO A 414 -7.893 -6.005 -24.928 1.00 0.00 C ATOM 605 CG PRO A 414 -7.282 -6.521 -23.672 1.00 0.00 C ATOM 606 CD PRO A 414 -8.074 -7.744 -23.298 1.00 0.00 C ATOM 0 HA PRO A 414 -9.282 -7.097 -26.255 1.00 0.00 H new ATOM 0 HB2 PRO A 414 -7.167 -5.449 -25.522 1.00 0.00 H new ATOM 0 HB3 PRO A 414 -8.719 -5.326 -24.716 1.00 0.00 H new ATOM 0 HG2 PRO A 414 -6.231 -6.768 -23.822 1.00 0.00 H new ATOM 0 HG3 PRO A 414 -7.324 -5.772 -22.881 1.00 0.00 H new ATOM 0 HD2 PRO A 414 -7.451 -8.492 -22.808 1.00 0.00 H new ATOM 0 HD3 PRO A 414 -8.884 -7.503 -22.610 1.00 0.00 H new ATOM 614 N SER A 415 -7.783 -8.361 -27.744 1.00 0.00 N ATOM 615 CA SER A 415 -6.882 -8.859 -28.777 1.00 0.00 C ATOM 616 C SER A 415 -6.648 -7.799 -29.849 1.00 0.00 C ATOM 617 O SER A 415 -7.295 -7.806 -30.897 1.00 0.00 O ATOM 618 CB SER A 415 -7.454 -10.127 -29.413 1.00 0.00 C ATOM 619 OG SER A 415 -6.507 -10.737 -30.273 1.00 0.00 O ATOM 0 H SER A 415 -8.770 -8.548 -27.919 1.00 0.00 H new ATOM 0 HA SER A 415 -5.926 -9.095 -28.309 1.00 0.00 H new ATOM 0 HB2 SER A 415 -7.747 -10.829 -28.632 1.00 0.00 H new ATOM 0 HB3 SER A 415 -8.355 -9.881 -29.975 1.00 0.00 H new ATOM 0 HG SER A 415 -6.896 -11.546 -30.666 1.00 0.00 H new ATOM 625 N SER A 416 -5.717 -6.889 -29.580 1.00 0.00 N ATOM 626 CA SER A 416 -5.399 -5.820 -30.519 1.00 0.00 C ATOM 627 C SER A 416 -4.524 -6.339 -31.656 1.00 0.00 C ATOM 628 O SER A 416 -4.114 -7.499 -31.660 1.00 0.00 O ATOM 629 CB SER A 416 -4.689 -4.673 -29.797 1.00 0.00 C ATOM 630 OG SER A 416 -4.937 -3.435 -30.440 1.00 0.00 O ATOM 0 H SER A 416 -5.170 -6.871 -28.719 1.00 0.00 H new ATOM 0 HA SER A 416 -6.333 -5.451 -30.942 1.00 0.00 H new ATOM 0 HB2 SER A 416 -5.030 -4.624 -28.763 1.00 0.00 H new ATOM 0 HB3 SER A 416 -3.616 -4.864 -29.771 1.00 0.00 H new ATOM 0 HG SER A 416 -4.474 -2.718 -29.959 1.00 0.00 H new ATOM 636 N GLY A 417 -4.241 -5.469 -32.621 1.00 0.00 N ATOM 637 CA GLY A 417 -3.417 -5.857 -33.751 1.00 0.00 C ATOM 638 C GLY A 417 -2.743 -4.671 -34.412 1.00 0.00 C ATOM 639 O GLY A 417 -2.936 -4.462 -35.608 1.00 0.00 O ATOM 0 H GLY A 417 -4.568 -4.503 -32.640 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -2.657 -6.563 -33.417 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -4.033 -6.376 -34.485 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -3.972 -3.432 -2.726 1.00 0.00 ZN