USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 390 TYR OH : rot 165:sc= -1.13 USER MOD Set 2.2: A 402 HIS : no HE2:sc= -1.95 K(o=-3.1,f=-12!) USER MOD Single : A 388 LYS NZ :NH3+ 165:sc= -0.0302 (180deg=-0.221) USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.2!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 0.117 K(o=0.12,f=-10!) USER MOD Single : A 400 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.5!) USER MOD Single : A 401 ASN : amide:sc= 0.261 K(o=0.26,f=-2.4!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -5.46! C(o=-5.5!,f=-8.3!) USER MOD Single : A 410 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00311) USER MOD Single : A 411 SER OG : rot 180:sc= -0.118 USER MOD Single : A 417 HIS :FLIP no HE2:sc= 0.0252 F(o=-0.51,f=0.025) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 143:sc= -1.06 (180deg=-2.88!) USER MOD Single : A 426 GLN :FLIP amide:sc=-0.00902 F(o=-1.4!,f=-0.009) USER MOD Single : A 430 THR OG1 : rot 78:sc= 0.408 USER MOD Single : A 432 MET CE :methyl -162:sc= -0.157 (180deg=-0.636) USER MOD Single : A 434 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.98) USER MOD Single : A 437 SER OG : rot 180:sc= -3.11! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.637 0.627 -2.149 1.00 0.00 N ATOM 2 CA LEU A 386 18.507 1.585 -3.221 1.00 0.00 C ATOM 3 C LEU A 386 17.065 1.700 -3.702 1.00 0.00 C ATOM 4 O LEU A 386 16.648 2.757 -4.179 1.00 0.00 O ATOM 5 CB LEU A 386 19.412 1.190 -4.386 1.00 0.00 C ATOM 6 CG LEU A 386 20.896 1.462 -4.166 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.458 0.583 -3.071 1.00 0.00 C ATOM 8 CD2 LEU A 386 21.671 1.277 -5.460 1.00 0.00 C ATOM 0 HA LEU A 386 18.810 2.558 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.278 0.127 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.087 1.726 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 386 21.004 2.498 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.518 0.800 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 386 20.928 0.779 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.334 -0.465 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 386 22.728 1.476 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 386 21.549 0.253 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 386 21.293 1.969 -6.213 1.00 0.00 H new ATOM 20 N ARG A 387 16.300 0.623 -3.574 1.00 0.00 N ATOM 21 CA ARG A 387 14.931 0.626 -4.056 1.00 0.00 C ATOM 22 C ARG A 387 13.984 1.155 -2.997 1.00 0.00 C ATOM 23 O ARG A 387 13.504 0.414 -2.139 1.00 0.00 O ATOM 24 CB ARG A 387 14.498 -0.769 -4.499 1.00 0.00 C ATOM 25 CG ARG A 387 14.977 -1.145 -5.888 1.00 0.00 C ATOM 26 CD ARG A 387 14.257 -0.331 -6.947 1.00 0.00 C ATOM 27 NE ARG A 387 14.733 -0.644 -8.291 1.00 0.00 N ATOM 28 CZ ARG A 387 13.947 -0.727 -9.367 1.00 0.00 C ATOM 29 NH1 ARG A 387 12.635 -0.537 -9.256 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.470 -1.015 -10.550 1.00 0.00 N ATOM 0 H ARG A 387 16.602 -0.252 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 387 14.890 1.288 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.875 -1.501 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.410 -0.828 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.052 -0.979 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.806 -2.207 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.186 -0.524 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.401 0.731 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 387 15.732 -0.810 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 387 12.225 -0.327 -8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 387 12.039 -0.601 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.474 -1.173 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 387 13.869 -1.078 -11.372 1.00 0.00 H new ATOM 44 N LYS A 388 13.746 2.453 -3.040 1.00 0.00 N ATOM 45 CA LYS A 388 12.708 3.047 -2.224 1.00 0.00 C ATOM 46 C LYS A 388 11.357 2.768 -2.850 1.00 0.00 C ATOM 47 O LYS A 388 11.217 2.736 -4.073 1.00 0.00 O ATOM 48 CB LYS A 388 12.890 4.555 -2.082 1.00 0.00 C ATOM 49 CG LYS A 388 14.133 4.967 -1.315 1.00 0.00 C ATOM 50 CD LYS A 388 14.079 4.475 0.120 1.00 0.00 C ATOM 51 CE LYS A 388 15.216 5.041 0.950 1.00 0.00 C ATOM 52 NZ LYS A 388 15.097 6.514 1.134 1.00 0.00 N ATOM 0 H LYS A 388 14.256 3.112 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 388 12.770 2.604 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 388 12.928 4.999 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.015 4.969 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.018 4.564 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.228 6.053 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 388 13.126 4.759 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.126 3.386 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 388 15.229 4.554 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.166 4.812 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 15.731 6.821 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.362 6.997 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 14.116 6.755 1.379 1.00 0.00 H new ATOM 66 N CYS A 389 10.378 2.565 -2.011 1.00 0.00 N ATOM 67 CA CYS A 389 9.026 2.316 -2.460 1.00 0.00 C ATOM 68 C CYS A 389 8.151 3.512 -2.143 1.00 0.00 C ATOM 69 O CYS A 389 7.877 3.807 -0.977 1.00 0.00 O ATOM 70 CB CYS A 389 8.466 1.048 -1.812 1.00 0.00 C ATOM 71 SG CYS A 389 9.256 -0.486 -2.396 1.00 0.00 S ATOM 0 H CYS A 389 10.490 2.567 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 389 9.036 2.164 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.587 1.119 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.396 0.992 -2.010 1.00 0.00 H new ATOM 76 N TYR A 390 7.759 4.226 -3.183 1.00 0.00 N ATOM 77 CA TYR A 390 6.882 5.367 -3.029 1.00 0.00 C ATOM 78 C TYR A 390 5.449 4.888 -2.885 1.00 0.00 C ATOM 79 O TYR A 390 4.940 4.158 -3.739 1.00 0.00 O ATOM 80 CB TYR A 390 7.015 6.307 -4.230 1.00 0.00 C ATOM 81 CG TYR A 390 6.208 7.580 -4.107 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.584 8.577 -3.221 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.073 7.781 -4.880 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.853 9.741 -3.104 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.335 8.945 -4.771 1.00 0.00 C ATOM 86 CZ TYR A 390 4.732 9.921 -3.881 1.00 0.00 C ATOM 87 OH TYR A 390 4.004 11.083 -3.763 1.00 0.00 O ATOM 0 H TYR A 390 8.037 4.033 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 390 7.165 5.919 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.066 6.566 -4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.703 5.777 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.465 8.440 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.762 7.017 -5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.159 10.507 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.454 9.089 -5.379 1.00 0.00 H new ATOM 0 HH TYR A 390 3.396 11.167 -4.527 1.00 0.00 H new ATOM 97 N PHE A 391 4.822 5.257 -1.783 1.00 0.00 N ATOM 98 CA PHE A 391 3.431 4.917 -1.554 1.00 0.00 C ATOM 99 C PHE A 391 2.574 5.696 -2.535 1.00 0.00 C ATOM 100 O PHE A 391 2.697 6.911 -2.605 1.00 0.00 O ATOM 101 CB PHE A 391 3.028 5.281 -0.123 1.00 0.00 C ATOM 102 CG PHE A 391 1.827 4.530 0.386 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.546 5.020 0.188 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.984 3.333 1.066 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.556 4.332 0.660 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.886 2.641 1.539 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.385 3.141 1.335 1.00 0.00 C ATOM 0 H PHE A 391 5.256 5.793 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 391 3.288 3.846 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.871 5.089 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.822 6.350 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.407 5.951 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.976 2.937 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.549 4.726 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.022 1.709 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.244 2.600 1.703 1.00 0.00 H new ATOM 117 N PRO A 392 1.721 5.024 -3.318 1.00 0.00 N ATOM 118 CA PRO A 392 0.876 5.675 -4.308 1.00 0.00 C ATOM 119 C PRO A 392 -0.513 6.033 -3.790 1.00 0.00 C ATOM 120 O PRO A 392 -1.070 5.362 -2.926 1.00 0.00 O ATOM 121 CB PRO A 392 0.771 4.610 -5.389 1.00 0.00 C ATOM 122 CG PRO A 392 0.830 3.311 -4.658 1.00 0.00 C ATOM 123 CD PRO A 392 1.530 3.564 -3.337 1.00 0.00 C ATOM 0 HA PRO A 392 1.293 6.629 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.159 4.706 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.586 4.696 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.173 2.919 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.371 2.566 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 392 0.927 3.228 -2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.481 3.035 -3.280 1.00 0.00 H new ATOM 131 N TYR A 393 -1.027 7.144 -4.291 1.00 0.00 N ATOM 132 CA TYR A 393 -2.407 7.531 -4.074 1.00 0.00 C ATOM 133 C TYR A 393 -3.360 6.543 -4.741 1.00 0.00 C ATOM 134 O TYR A 393 -3.554 6.580 -5.959 1.00 0.00 O ATOM 135 CB TYR A 393 -2.630 8.938 -4.635 1.00 0.00 C ATOM 136 CG TYR A 393 -4.085 9.371 -4.661 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.794 9.596 -3.485 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.751 9.543 -5.869 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.125 9.982 -3.518 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.076 9.926 -5.909 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.758 10.145 -4.734 1.00 0.00 C ATOM 142 OH TYR A 393 -8.082 10.528 -4.775 1.00 0.00 O ATOM 0 H TYR A 393 -0.496 7.803 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.611 7.526 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.061 9.650 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.231 8.981 -5.648 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.300 9.468 -2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.221 9.373 -6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.664 10.154 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.576 10.053 -6.858 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.374 10.598 -5.708 1.00 0.00 H new ATOM 152 N LEU A 394 -3.924 5.642 -3.948 1.00 0.00 N ATOM 153 CA LEU A 394 -4.997 4.785 -4.419 1.00 0.00 C ATOM 154 C LEU A 394 -6.228 5.638 -4.678 1.00 0.00 C ATOM 155 O LEU A 394 -6.644 6.416 -3.818 1.00 0.00 O ATOM 156 CB LEU A 394 -5.316 3.682 -3.401 1.00 0.00 C ATOM 157 CG LEU A 394 -4.421 2.435 -3.464 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.964 2.780 -3.195 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.907 1.393 -2.472 1.00 0.00 C ATOM 0 H LEU A 394 -3.655 5.488 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.683 4.297 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.245 4.107 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.351 3.371 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.485 2.027 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.360 1.874 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.615 3.493 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.872 3.221 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.266 0.513 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.873 1.807 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.931 1.110 -2.714 1.00 0.00 H new ATOM 171 N GLU A 395 -6.806 5.483 -5.857 1.00 0.00 N ATOM 172 CA GLU A 395 -7.886 6.352 -6.316 1.00 0.00 C ATOM 173 C GLU A 395 -9.226 5.963 -5.693 1.00 0.00 C ATOM 174 O GLU A 395 -10.293 6.324 -6.198 1.00 0.00 O ATOM 175 CB GLU A 395 -7.961 6.285 -7.838 1.00 0.00 C ATOM 176 CG GLU A 395 -6.633 6.618 -8.502 1.00 0.00 C ATOM 177 CD GLU A 395 -6.646 6.421 -10.001 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.907 5.287 -10.456 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.373 7.392 -10.732 1.00 0.00 O ATOM 0 H GLU A 395 -6.544 4.756 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.673 7.373 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.274 5.285 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.724 6.978 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -6.374 7.654 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -5.851 5.995 -8.068 1.00 0.00 H new ATOM 186 N ASN A 396 -9.154 5.237 -4.593 1.00 0.00 N ATOM 187 CA ASN A 396 -10.329 4.806 -3.853 1.00 0.00 C ATOM 188 C ASN A 396 -9.972 4.594 -2.385 1.00 0.00 C ATOM 189 O ASN A 396 -10.666 3.888 -1.650 1.00 0.00 O ATOM 190 CB ASN A 396 -10.902 3.520 -4.459 1.00 0.00 C ATOM 191 CG ASN A 396 -9.843 2.459 -4.709 1.00 0.00 C ATOM 192 OD1 ASN A 396 -8.814 2.414 -4.038 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.087 1.604 -5.687 1.00 0.00 N ATOM 0 H ASN A 396 -8.273 4.927 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.091 5.583 -3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.662 3.117 -3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.399 3.758 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.409 0.874 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.953 1.674 -6.221 1.00 0.00 H new ATOM 200 N GLY A 397 -8.899 5.241 -1.953 1.00 0.00 N ATOM 201 CA GLY A 397 -8.405 5.039 -0.608 1.00 0.00 C ATOM 202 C GLY A 397 -8.107 6.345 0.101 1.00 0.00 C ATOM 203 O GLY A 397 -8.207 7.418 -0.494 1.00 0.00 O ATOM 0 H GLY A 397 -8.361 5.903 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.142 4.477 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.499 4.433 -0.644 1.00 0.00 H new ATOM 207 N TYR A 398 -7.749 6.256 1.372 1.00 0.00 N ATOM 208 CA TYR A 398 -7.344 7.426 2.140 1.00 0.00 C ATOM 209 C TYR A 398 -5.884 7.728 1.858 1.00 0.00 C ATOM 210 O TYR A 398 -5.522 8.870 1.593 1.00 0.00 O ATOM 211 CB TYR A 398 -7.525 7.180 3.644 1.00 0.00 C ATOM 212 CG TYR A 398 -8.959 6.970 4.077 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.755 8.045 4.440 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.509 5.695 4.142 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.061 7.860 4.849 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.815 5.502 4.551 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.585 6.587 4.905 1.00 0.00 C ATOM 218 OH TYR A 398 -12.885 6.401 5.310 1.00 0.00 O ATOM 0 H TYR A 398 -7.730 5.382 1.897 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.969 8.269 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.941 6.305 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.114 8.029 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.347 9.044 4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.906 4.842 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.669 8.709 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.229 4.505 4.593 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.099 5.445 5.293 1.00 0.00 H new ATOM 228 N ASN A 399 -5.064 6.681 1.881 1.00 0.00 N ATOM 229 CA ASN A 399 -3.623 6.804 1.655 1.00 0.00 C ATOM 230 C ASN A 399 -3.021 7.875 2.550 1.00 0.00 C ATOM 231 O ASN A 399 -2.401 8.825 2.065 1.00 0.00 O ATOM 232 CB ASN A 399 -3.298 7.153 0.203 1.00 0.00 C ATOM 233 CG ASN A 399 -4.055 6.320 -0.800 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.622 5.236 -1.168 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.180 6.833 -1.269 1.00 0.00 N ATOM 0 H ASN A 399 -5.376 5.726 2.056 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.192 5.831 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.522 8.206 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.228 7.024 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.723 6.321 -1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.505 7.740 -0.935 1.00 0.00 H new ATOM 242 N GLN A 400 -3.192 7.716 3.853 1.00 0.00 N ATOM 243 CA GLN A 400 -2.647 8.666 4.807 1.00 0.00 C ATOM 244 C GLN A 400 -1.124 8.611 4.803 1.00 0.00 C ATOM 245 O GLN A 400 -0.457 9.475 5.367 1.00 0.00 O ATOM 246 CB GLN A 400 -3.191 8.383 6.205 1.00 0.00 C ATOM 247 CG GLN A 400 -4.687 8.623 6.340 1.00 0.00 C ATOM 248 CD GLN A 400 -5.067 10.087 6.204 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.395 10.864 5.523 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.150 10.475 6.852 1.00 0.00 N ATOM 0 H GLN A 400 -3.703 6.939 4.273 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.954 9.670 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.973 7.348 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.665 9.011 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.212 8.045 5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.023 8.255 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.681 9.803 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.456 11.447 6.799 1.00 0.00 H new ATOM 259 N ASN A 401 -0.584 7.587 4.154 1.00 0.00 N ATOM 260 CA ASN A 401 0.854 7.430 4.039 1.00 0.00 C ATOM 261 C ASN A 401 1.327 7.659 2.608 1.00 0.00 C ATOM 262 O ASN A 401 2.492 7.417 2.296 1.00 0.00 O ATOM 263 CB ASN A 401 1.296 6.046 4.522 1.00 0.00 C ATOM 264 CG ASN A 401 1.131 5.875 6.018 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.023 6.220 6.794 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.002 5.334 6.436 1.00 0.00 N ATOM 0 H ASN A 401 -1.126 6.852 3.699 1.00 0.00 H new ATOM 0 HA ASN A 401 1.313 8.186 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.715 5.282 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.341 5.888 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.161 5.189 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.717 5.062 5.761 1.00 0.00 H new ATOM 273 N HIS A 402 0.440 8.124 1.726 1.00 0.00 N ATOM 274 CA HIS A 402 0.872 8.475 0.381 1.00 0.00 C ATOM 275 C HIS A 402 1.667 9.767 0.425 1.00 0.00 C ATOM 276 O HIS A 402 1.499 10.588 1.322 1.00 0.00 O ATOM 277 CB HIS A 402 -0.296 8.582 -0.608 1.00 0.00 C ATOM 278 CG HIS A 402 0.086 9.217 -1.919 1.00 0.00 C ATOM 279 ND1 HIS A 402 0.931 8.651 -2.837 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.227 10.413 -2.415 1.00 0.00 C ATOM 281 CE1 HIS A 402 1.115 9.486 -3.843 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.420 10.569 -3.611 1.00 0.00 N ATOM 0 H HIS A 402 -0.553 8.262 1.914 1.00 0.00 H new ATOM 0 HA HIS A 402 1.506 7.668 0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.694 7.585 -0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.097 9.163 -0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 402 1.353 7.726 -2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.881 11.137 -1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 402 1.734 9.305 -4.710 1.00 0.00 H new ATOM 291 N GLY A 403 2.526 9.931 -0.557 1.00 0.00 N ATOM 292 CA GLY A 403 3.446 11.041 -0.564 1.00 0.00 C ATOM 293 C GLY A 403 4.736 10.686 0.144 1.00 0.00 C ATOM 294 O GLY A 403 5.691 11.460 0.157 1.00 0.00 O ATOM 0 H GLY A 403 2.605 9.308 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.661 11.333 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.986 11.901 -0.078 1.00 0.00 H new ATOM 298 N ARG A 404 4.759 9.491 0.723 1.00 0.00 N ATOM 299 CA ARG A 404 5.876 9.043 1.539 1.00 0.00 C ATOM 300 C ARG A 404 6.636 7.916 0.859 1.00 0.00 C ATOM 301 O ARG A 404 6.081 7.178 0.038 1.00 0.00 O ATOM 302 CB ARG A 404 5.360 8.590 2.905 1.00 0.00 C ATOM 303 CG ARG A 404 4.714 9.717 3.688 1.00 0.00 C ATOM 304 CD ARG A 404 4.033 9.226 4.954 1.00 0.00 C ATOM 305 NE ARG A 404 3.462 10.336 5.717 1.00 0.00 N ATOM 306 CZ ARG A 404 2.734 10.200 6.823 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.431 8.994 7.287 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.305 11.277 7.464 1.00 0.00 N ATOM 0 H ARG A 404 4.005 8.809 0.639 1.00 0.00 H new ATOM 0 HA ARG A 404 6.567 9.876 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.636 7.787 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.187 8.178 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.472 10.455 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.982 10.221 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.246 8.518 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.753 8.690 5.572 1.00 0.00 H new ATOM 0 HE ARG A 404 3.634 11.282 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.757 8.162 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.873 8.899 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.533 12.206 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.747 11.177 8.312 1.00 0.00 H new ATOM 322 N LYS A 405 7.908 7.798 1.205 1.00 0.00 N ATOM 323 CA LYS A 405 8.779 6.797 0.622 1.00 0.00 C ATOM 324 C LYS A 405 9.332 5.876 1.699 1.00 0.00 C ATOM 325 O LYS A 405 9.897 6.336 2.692 1.00 0.00 O ATOM 326 CB LYS A 405 9.927 7.483 -0.113 1.00 0.00 C ATOM 327 CG LYS A 405 9.473 8.362 -1.261 1.00 0.00 C ATOM 328 CD LYS A 405 10.615 9.212 -1.791 1.00 0.00 C ATOM 329 CE LYS A 405 11.727 8.362 -2.385 1.00 0.00 C ATOM 330 NZ LYS A 405 12.888 9.191 -2.790 1.00 0.00 N ATOM 0 H LYS A 405 8.363 8.394 1.897 1.00 0.00 H new ATOM 0 HA LYS A 405 8.202 6.198 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.491 8.089 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.608 6.723 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.077 7.740 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.660 9.008 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.236 9.896 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.018 9.823 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.047 7.618 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.348 7.818 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.628 8.580 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.587 9.885 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.264 9.691 -1.959 1.00 0.00 H new ATOM 344 N PHE A 406 9.170 4.580 1.499 1.00 0.00 N ATOM 345 CA PHE A 406 9.661 3.592 2.449 1.00 0.00 C ATOM 346 C PHE A 406 10.737 2.727 1.796 1.00 0.00 C ATOM 347 O PHE A 406 10.589 2.305 0.651 1.00 0.00 O ATOM 348 CB PHE A 406 8.505 2.715 2.943 1.00 0.00 C ATOM 349 CG PHE A 406 7.411 3.482 3.639 1.00 0.00 C ATOM 350 CD1 PHE A 406 7.468 3.717 5.005 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.324 3.967 2.926 1.00 0.00 C ATOM 352 CE1 PHE A 406 6.463 4.420 5.645 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.316 4.670 3.561 1.00 0.00 C ATOM 354 CZ PHE A 406 5.387 4.897 4.922 1.00 0.00 C ATOM 0 H PHE A 406 8.701 4.184 0.685 1.00 0.00 H new ATOM 0 HA PHE A 406 10.097 4.110 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.078 2.182 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.899 1.963 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.307 3.347 5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.264 3.793 1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 406 6.520 4.596 6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.475 5.041 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.602 5.447 5.420 1.00 0.00 H new ATOM 364 N VAL A 407 11.823 2.483 2.521 1.00 0.00 N ATOM 365 CA VAL A 407 12.929 1.683 2.002 1.00 0.00 C ATOM 366 C VAL A 407 12.563 0.199 2.015 1.00 0.00 C ATOM 367 O VAL A 407 11.642 -0.209 2.731 1.00 0.00 O ATOM 368 CB VAL A 407 14.221 1.906 2.831 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.110 1.266 4.209 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.446 1.390 2.086 1.00 0.00 C ATOM 0 H VAL A 407 11.962 2.828 3.471 1.00 0.00 H new ATOM 0 HA VAL A 407 13.116 2.002 0.977 1.00 0.00 H new ATOM 0 HB VAL A 407 14.342 2.980 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.031 1.439 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.271 1.706 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.948 0.194 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.337 1.559 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.334 0.323 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.545 1.919 1.138 1.00 0.00 H new ATOM 380 N GLN A 408 13.270 -0.596 1.215 1.00 0.00 N ATOM 381 CA GLN A 408 13.086 -2.027 1.187 1.00 0.00 C ATOM 382 C GLN A 408 13.168 -2.615 2.589 1.00 0.00 C ATOM 383 O GLN A 408 14.130 -2.373 3.323 1.00 0.00 O ATOM 384 CB GLN A 408 14.158 -2.635 0.304 1.00 0.00 C ATOM 385 CG GLN A 408 13.619 -3.346 -0.912 1.00 0.00 C ATOM 386 CD GLN A 408 14.726 -3.744 -1.851 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.081 -3.008 -2.760 1.00 0.00 O ATOM 388 NE2 GLN A 408 15.303 -4.899 -1.624 1.00 0.00 N ATOM 0 H GLN A 408 13.985 -0.256 0.571 1.00 0.00 H new ATOM 0 HA GLN A 408 12.097 -2.255 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.838 -1.847 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.744 -3.339 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.067 -4.233 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.914 -2.697 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.981 -5.488 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 408 16.074 -5.209 -2.215 1.00 0.00 H new ATOM 397 N GLY A 409 12.154 -3.374 2.955 1.00 0.00 N ATOM 398 CA GLY A 409 12.106 -3.963 4.278 1.00 0.00 C ATOM 399 C GLY A 409 11.018 -3.364 5.150 1.00 0.00 C ATOM 400 O GLY A 409 10.589 -3.982 6.125 1.00 0.00 O ATOM 0 H GLY A 409 11.357 -3.596 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.942 -5.037 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.071 -3.828 4.766 1.00 0.00 H new ATOM 404 N LYS A 410 10.564 -2.163 4.811 1.00 0.00 N ATOM 405 CA LYS A 410 9.534 -1.497 5.595 1.00 0.00 C ATOM 406 C LYS A 410 8.139 -1.889 5.137 1.00 0.00 C ATOM 407 O LYS A 410 7.944 -2.322 4.000 1.00 0.00 O ATOM 408 CB LYS A 410 9.695 0.018 5.531 1.00 0.00 C ATOM 409 CG LYS A 410 10.672 0.566 6.552 1.00 0.00 C ATOM 410 CD LYS A 410 10.533 2.070 6.694 1.00 0.00 C ATOM 411 CE LYS A 410 11.367 2.605 7.844 1.00 0.00 C ATOM 412 NZ LYS A 410 12.826 2.458 7.601 1.00 0.00 N ATOM 0 H LYS A 410 10.891 -1.634 4.003 1.00 0.00 H new ATOM 0 HA LYS A 410 9.657 -1.823 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.030 0.298 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.722 0.486 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.499 0.090 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.691 0.319 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.840 2.553 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.486 2.325 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.132 3.658 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.099 2.078 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.353 2.853 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 13.060 1.450 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.086 2.968 6.733 1.00 0.00 H new ATOM 426 N SER A 411 7.179 -1.726 6.035 1.00 0.00 N ATOM 427 CA SER A 411 5.800 -2.096 5.778 1.00 0.00 C ATOM 428 C SER A 411 4.853 -1.018 6.289 1.00 0.00 C ATOM 429 O SER A 411 5.245 -0.139 7.062 1.00 0.00 O ATOM 430 CB SER A 411 5.483 -3.428 6.460 1.00 0.00 C ATOM 431 OG SER A 411 4.156 -3.855 6.193 1.00 0.00 O ATOM 0 H SER A 411 7.337 -1.333 6.963 1.00 0.00 H new ATOM 0 HA SER A 411 5.663 -2.199 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.185 -4.188 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.623 -3.327 7.536 1.00 0.00 H new ATOM 0 HG SER A 411 3.990 -4.710 6.643 1.00 0.00 H new ATOM 437 N ILE A 412 3.606 -1.109 5.855 1.00 0.00 N ATOM 438 CA ILE A 412 2.567 -0.163 6.243 1.00 0.00 C ATOM 439 C ILE A 412 1.209 -0.620 5.714 1.00 0.00 C ATOM 440 O ILE A 412 1.109 -1.163 4.615 1.00 0.00 O ATOM 441 CB ILE A 412 2.881 1.265 5.730 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.804 2.263 6.173 1.00 0.00 C ATOM 443 CG2 ILE A 412 3.032 1.285 4.214 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.731 2.458 7.673 1.00 0.00 C ATOM 0 H ILE A 412 3.283 -1.841 5.223 1.00 0.00 H new ATOM 0 HA ILE A 412 2.537 -0.132 7.332 1.00 0.00 H new ATOM 0 HB ILE A 412 3.830 1.569 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.997 3.226 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.834 1.920 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.252 2.300 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.847 0.623 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.105 0.946 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.947 3.177 7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.506 1.506 8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.688 2.832 8.038 1.00 0.00 H new ATOM 456 N ASP A 413 0.176 -0.442 6.519 1.00 0.00 N ATOM 457 CA ASP A 413 -1.184 -0.743 6.089 1.00 0.00 C ATOM 458 C ASP A 413 -1.727 0.387 5.233 1.00 0.00 C ATOM 459 O ASP A 413 -1.400 1.557 5.445 1.00 0.00 O ATOM 460 CB ASP A 413 -2.116 -0.977 7.285 1.00 0.00 C ATOM 461 CG ASP A 413 -2.226 0.225 8.203 1.00 0.00 C ATOM 462 OD1 ASP A 413 -1.402 0.338 9.136 1.00 0.00 O ATOM 463 OD2 ASP A 413 -3.146 1.050 8.014 1.00 0.00 O ATOM 0 H ASP A 413 0.250 -0.091 7.474 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.147 -1.661 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -3.109 -1.237 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.754 -1.831 7.858 1.00 0.00 H new ATOM 468 N VAL A 414 -2.543 0.038 4.259 1.00 0.00 N ATOM 469 CA VAL A 414 -3.158 1.032 3.401 1.00 0.00 C ATOM 470 C VAL A 414 -4.637 1.184 3.724 1.00 0.00 C ATOM 471 O VAL A 414 -5.422 0.242 3.621 1.00 0.00 O ATOM 472 CB VAL A 414 -2.949 0.719 1.908 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.339 -0.705 1.614 1.00 0.00 C ATOM 474 CG2 VAL A 414 -3.732 1.686 1.031 1.00 0.00 C ATOM 0 H VAL A 414 -2.796 -0.926 4.041 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.662 1.982 3.600 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.891 0.844 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.186 -0.913 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.724 -1.381 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -4.389 -0.854 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.566 1.442 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.795 1.605 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.397 2.705 1.224 1.00 0.00 H new ATOM 484 N ALA A 415 -5.002 2.380 4.151 1.00 0.00 N ATOM 485 CA ALA A 415 -6.374 2.660 4.506 1.00 0.00 C ATOM 486 C ALA A 415 -7.189 3.011 3.268 1.00 0.00 C ATOM 487 O ALA A 415 -6.974 4.052 2.648 1.00 0.00 O ATOM 488 CB ALA A 415 -6.437 3.783 5.531 1.00 0.00 C ATOM 0 H ALA A 415 -4.365 3.169 4.259 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.806 1.764 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.477 3.983 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.891 3.488 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.988 4.683 5.112 1.00 0.00 H new ATOM 494 N CYS A 416 -8.107 2.131 2.904 1.00 0.00 N ATOM 495 CA CYS A 416 -8.987 2.360 1.764 1.00 0.00 C ATOM 496 C CYS A 416 -10.397 2.683 2.237 1.00 0.00 C ATOM 497 O CYS A 416 -10.726 2.471 3.407 1.00 0.00 O ATOM 498 CB CYS A 416 -8.995 1.136 0.851 1.00 0.00 C ATOM 499 SG CYS A 416 -7.469 0.953 -0.127 1.00 0.00 S ATOM 0 H CYS A 416 -8.265 1.245 3.384 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.612 3.213 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.139 0.241 1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.846 1.203 0.173 1.00 0.00 H new ATOM 504 N HIS A 417 -11.226 3.210 1.338 1.00 0.00 N ATOM 505 CA HIS A 417 -12.589 3.572 1.702 1.00 0.00 C ATOM 506 C HIS A 417 -13.433 2.316 1.890 1.00 0.00 C ATOM 507 O HIS A 417 -13.124 1.261 1.333 1.00 0.00 O ATOM 508 CB HIS A 417 -13.242 4.486 0.653 1.00 0.00 C ATOM 509 CG HIS A 417 -12.534 5.794 0.447 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.019 6.672 1.340 1.00 0.00 N flip ATOM 511 CD2 HIS A 417 -12.310 6.345 -0.796 1.00 0.00 C flip ATOM 512 CE1 HIS A 417 -11.501 7.722 0.627 1.00 0.00 C flip ATOM 513 NE2 HIS A 417 -11.688 7.499 -0.656 1.00 0.00 N flip ATOM 0 H HIS A 417 -10.980 3.393 0.365 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.540 4.125 2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.284 3.955 -0.298 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.271 4.686 0.952 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -12.017 6.571 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.599 5.901 -1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.018 8.591 1.050 1.00 0.00 H new ATOM 522 N PRO A 418 -14.515 2.431 2.673 1.00 0.00 N ATOM 523 CA PRO A 418 -15.375 1.302 3.028 1.00 0.00 C ATOM 524 C PRO A 418 -15.990 0.644 1.801 1.00 0.00 C ATOM 525 O PRO A 418 -16.839 1.224 1.123 1.00 0.00 O ATOM 526 CB PRO A 418 -16.462 1.934 3.901 1.00 0.00 C ATOM 527 CG PRO A 418 -15.886 3.222 4.367 1.00 0.00 C ATOM 528 CD PRO A 418 -15.005 3.686 3.253 1.00 0.00 C ATOM 0 HA PRO A 418 -14.821 0.510 3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.379 2.095 3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.716 1.289 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.670 3.950 4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.318 3.089 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.556 4.279 2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.188 4.308 3.618 1.00 0.00 H new ATOM 536 N GLY A 419 -15.553 -0.567 1.525 1.00 0.00 N ATOM 537 CA GLY A 419 -16.012 -1.271 0.350 1.00 0.00 C ATOM 538 C GLY A 419 -14.853 -1.727 -0.503 1.00 0.00 C ATOM 539 O GLY A 419 -14.975 -2.671 -1.282 1.00 0.00 O ATOM 0 H GLY A 419 -14.883 -1.081 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.608 -2.133 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.663 -0.621 -0.235 1.00 0.00 H new ATOM 543 N TYR A 420 -13.725 -1.046 -0.354 1.00 0.00 N ATOM 544 CA TYR A 420 -12.507 -1.423 -1.051 1.00 0.00 C ATOM 545 C TYR A 420 -11.536 -2.057 -0.073 1.00 0.00 C ATOM 546 O TYR A 420 -11.338 -1.548 1.033 1.00 0.00 O ATOM 547 CB TYR A 420 -11.846 -0.210 -1.707 1.00 0.00 C ATOM 548 CG TYR A 420 -12.754 0.554 -2.642 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.037 0.078 -3.917 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.334 1.753 -2.246 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.870 0.777 -4.770 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.169 2.456 -3.092 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.434 1.964 -4.353 1.00 0.00 C ATOM 554 OH TYR A 420 -15.269 2.661 -5.198 1.00 0.00 O ATOM 0 H TYR A 420 -13.630 -0.227 0.246 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.770 -2.136 -1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.494 0.465 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.968 -0.543 -2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.599 -0.853 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.128 2.142 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.078 0.395 -5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.612 3.386 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.582 3.475 -4.750 1.00 0.00 H new ATOM 564 N ALA A 421 -10.945 -3.168 -0.473 1.00 0.00 N ATOM 565 CA ALA A 421 -9.993 -3.865 0.372 1.00 0.00 C ATOM 566 C ALA A 421 -9.017 -4.662 -0.477 1.00 0.00 C ATOM 567 O ALA A 421 -9.291 -4.952 -1.642 1.00 0.00 O ATOM 568 CB ALA A 421 -10.729 -4.783 1.337 1.00 0.00 C ATOM 0 H ALA A 421 -11.108 -3.607 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.429 -3.131 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -10.007 -5.302 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.398 -4.192 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -11.310 -5.513 0.773 1.00 0.00 H new ATOM 574 N LEU A 422 -7.873 -4.994 0.101 1.00 0.00 N ATOM 575 CA LEU A 422 -6.880 -5.802 -0.582 1.00 0.00 C ATOM 576 C LEU A 422 -7.328 -7.254 -0.615 1.00 0.00 C ATOM 577 O LEU A 422 -7.966 -7.730 0.322 1.00 0.00 O ATOM 578 CB LEU A 422 -5.529 -5.682 0.123 1.00 0.00 C ATOM 579 CG LEU A 422 -4.842 -4.329 -0.006 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.830 -4.137 1.118 1.00 0.00 C ATOM 581 CD2 LEU A 422 -4.160 -4.197 -1.354 1.00 0.00 C ATOM 0 H LEU A 422 -7.610 -4.714 1.046 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.773 -5.442 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.670 -5.899 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.862 -6.448 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.603 -3.553 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.348 -3.165 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.341 -4.185 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -3.077 -4.923 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.676 -3.223 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.412 -4.982 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.901 -4.291 -2.148 1.00 0.00 H new ATOM 593 N PRO A 423 -7.037 -7.927 -1.725 1.00 0.00 N ATOM 594 CA PRO A 423 -7.285 -9.368 -1.927 1.00 0.00 C ATOM 595 C PRO A 423 -6.645 -10.209 -0.816 1.00 0.00 C ATOM 596 O PRO A 423 -6.979 -10.077 0.362 1.00 0.00 O ATOM 597 CB PRO A 423 -6.596 -9.631 -3.270 1.00 0.00 C ATOM 598 CG PRO A 423 -6.645 -8.321 -3.971 1.00 0.00 C ATOM 599 CD PRO A 423 -6.449 -7.292 -2.900 1.00 0.00 C ATOM 0 HA PRO A 423 -8.343 -9.630 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -5.569 -9.969 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -7.113 -10.405 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -5.866 -8.252 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -7.599 -8.183 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -5.394 -7.062 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.948 -6.354 -3.145 1.00 0.00 H new ATOM 607 N LYS A 424 -5.727 -11.089 -1.180 1.00 0.00 N ATOM 608 CA LYS A 424 -4.768 -11.567 -0.206 1.00 0.00 C ATOM 609 C LYS A 424 -3.590 -10.633 -0.247 1.00 0.00 C ATOM 610 O LYS A 424 -2.519 -10.920 0.276 1.00 0.00 O ATOM 611 CB LYS A 424 -4.283 -12.975 -0.450 1.00 0.00 C ATOM 612 CG LYS A 424 -5.216 -13.826 -1.298 1.00 0.00 C ATOM 613 CD LYS A 424 -5.029 -15.316 -1.036 1.00 0.00 C ATOM 614 CE LYS A 424 -3.655 -15.828 -1.455 1.00 0.00 C ATOM 615 NZ LYS A 424 -2.572 -15.402 -0.528 1.00 0.00 N ATOM 0 H LYS A 424 -5.628 -11.477 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.266 -11.587 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.309 -12.931 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.137 -13.467 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.249 -13.548 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -5.037 -13.618 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -5.176 -15.514 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -5.797 -15.873 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.678 -16.917 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -3.429 -15.469 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.878 -16.170 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.101 -14.557 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -2.979 -15.181 0.403 1.00 0.00 H new ATOM 629 N ALA A 425 -3.805 -9.521 -0.935 1.00 0.00 N ATOM 630 CA ALA A 425 -2.929 -8.390 -0.862 1.00 0.00 C ATOM 631 C ALA A 425 -3.020 -7.779 0.525 1.00 0.00 C ATOM 632 O ALA A 425 -2.364 -6.780 0.817 1.00 0.00 O ATOM 633 CB ALA A 425 -3.252 -7.379 -1.947 1.00 0.00 C ATOM 0 H ALA A 425 -4.601 -9.390 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 425 -1.902 -8.714 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -2.572 -6.531 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -3.138 -7.846 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -4.279 -7.033 -1.828 1.00 0.00 H new ATOM 639 N GLN A 426 -3.877 -8.395 1.363 1.00 0.00 N ATOM 640 CA GLN A 426 -3.797 -8.262 2.786 1.00 0.00 C ATOM 641 C GLN A 426 -4.396 -6.958 3.304 1.00 0.00 C ATOM 642 O GLN A 426 -5.391 -6.483 2.779 1.00 0.00 O ATOM 643 CB GLN A 426 -2.345 -8.425 3.078 1.00 0.00 C ATOM 644 CG GLN A 426 -1.880 -9.882 2.987 1.00 0.00 C ATOM 645 CD GLN A 426 -0.390 -10.038 3.206 1.00 0.00 C ATOM 646 OE1 GLN A 426 0.372 -9.008 2.876 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 0.071 -11.078 3.677 1.00 0.00 N flip ATOM 0 H GLN A 426 -4.638 -8.995 1.046 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.397 -9.006 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -1.768 -7.820 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.135 -8.043 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.415 -10.476 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.142 -10.282 2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.552 -11.849 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 426 1.076 -11.169 3.826 1.00 0.00 H new ATOM 656 N THR A 427 -3.861 -6.430 4.384 1.00 0.00 N ATOM 657 CA THR A 427 -4.285 -5.133 4.871 1.00 0.00 C ATOM 658 C THR A 427 -3.076 -4.244 4.945 1.00 0.00 C ATOM 659 O THR A 427 -3.158 -3.039 5.181 1.00 0.00 O ATOM 660 CB THR A 427 -4.948 -5.234 6.255 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.189 -6.113 7.096 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.375 -5.743 6.135 1.00 0.00 C ATOM 0 H THR A 427 -3.133 -6.877 4.941 1.00 0.00 H new ATOM 0 HA THR A 427 -5.028 -4.721 4.188 1.00 0.00 H new ATOM 0 HB THR A 427 -4.972 -4.238 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.615 -6.172 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.823 -5.806 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.955 -5.057 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.371 -6.731 5.675 1.00 0.00 H new ATOM 670 N THR A 428 -1.952 -4.875 4.702 1.00 0.00 N ATOM 671 CA THR A 428 -0.671 -4.254 4.830 1.00 0.00 C ATOM 672 C THR A 428 0.149 -4.484 3.572 1.00 0.00 C ATOM 673 O THR A 428 0.066 -5.548 2.960 1.00 0.00 O ATOM 674 CB THR A 428 0.065 -4.847 6.030 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.585 -6.056 6.460 1.00 0.00 O ATOM 676 CG2 THR A 428 0.143 -3.862 7.183 1.00 0.00 C ATOM 0 H THR A 428 -1.910 -5.850 4.405 1.00 0.00 H new ATOM 0 HA THR A 428 -0.809 -3.183 4.975 1.00 0.00 H new ATOM 0 HB THR A 428 1.084 -5.074 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.105 -6.430 7.228 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.673 -4.320 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.676 -2.967 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.864 -3.591 7.498 1.00 0.00 H new ATOM 684 N VAL A 429 0.931 -3.495 3.194 1.00 0.00 N ATOM 685 CA VAL A 429 1.762 -3.586 2.010 1.00 0.00 C ATOM 686 C VAL A 429 3.173 -3.130 2.331 1.00 0.00 C ATOM 687 O VAL A 429 3.374 -2.154 3.053 1.00 0.00 O ATOM 688 CB VAL A 429 1.163 -2.776 0.836 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.765 -1.374 1.278 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.123 -2.709 -0.322 1.00 0.00 C ATOM 0 H VAL A 429 1.009 -2.610 3.695 1.00 0.00 H new ATOM 0 HA VAL A 429 1.798 -4.628 1.693 1.00 0.00 H new ATOM 0 HB VAL A 429 0.264 -3.296 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.348 -0.830 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.019 -1.440 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.643 -0.847 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.676 -2.134 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.047 -2.227 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.343 -3.718 -0.671 1.00 0.00 H new ATOM 700 N THR A 430 4.153 -3.859 1.820 1.00 0.00 N ATOM 701 CA THR A 430 5.525 -3.592 2.180 1.00 0.00 C ATOM 702 C THR A 430 6.470 -3.602 0.999 1.00 0.00 C ATOM 703 O THR A 430 6.185 -4.168 -0.048 1.00 0.00 O ATOM 704 CB THR A 430 6.026 -4.554 3.277 1.00 0.00 C ATOM 705 OG1 THR A 430 7.395 -4.924 3.071 1.00 0.00 O ATOM 706 CG2 THR A 430 5.169 -5.806 3.371 1.00 0.00 C ATOM 0 H THR A 430 4.021 -4.629 1.164 1.00 0.00 H new ATOM 0 HA THR A 430 5.526 -2.577 2.577 1.00 0.00 H new ATOM 0 HB THR A 430 5.947 -4.010 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.979 -4.192 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.558 -6.455 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.142 -5.527 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 430 5.192 -6.335 2.418 1.00 0.00 H new ATOM 714 N CYS A 431 7.599 -2.951 1.204 1.00 0.00 N ATOM 715 CA CYS A 431 8.597 -2.767 0.167 1.00 0.00 C ATOM 716 C CYS A 431 9.514 -3.981 0.092 1.00 0.00 C ATOM 717 O CYS A 431 10.376 -4.173 0.952 1.00 0.00 O ATOM 718 CB CYS A 431 9.412 -1.501 0.453 1.00 0.00 C ATOM 719 SG CYS A 431 10.522 -0.998 -0.898 1.00 0.00 S ATOM 0 H CYS A 431 7.851 -2.533 2.099 1.00 0.00 H new ATOM 0 HA CYS A 431 8.094 -2.657 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.725 -0.682 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.005 -1.662 1.353 1.00 0.00 H new ATOM 724 N MET A 432 9.300 -4.812 -0.920 1.00 0.00 N ATOM 725 CA MET A 432 10.152 -5.963 -1.157 1.00 0.00 C ATOM 726 C MET A 432 11.198 -5.594 -2.207 1.00 0.00 C ATOM 727 O MET A 432 11.316 -4.424 -2.571 1.00 0.00 O ATOM 728 CB MET A 432 9.322 -7.173 -1.624 1.00 0.00 C ATOM 729 CG MET A 432 9.056 -7.187 -3.120 1.00 0.00 C ATOM 730 SD MET A 432 7.976 -8.534 -3.648 1.00 0.00 S ATOM 731 CE MET A 432 8.866 -9.954 -3.013 1.00 0.00 C ATOM 0 H MET A 432 8.539 -4.707 -1.591 1.00 0.00 H new ATOM 0 HA MET A 432 10.648 -6.242 -0.227 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.844 -8.089 -1.348 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.370 -7.176 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.607 -6.237 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.006 -7.265 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.518 -10.856 -3.516 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.933 -9.826 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.689 -10.045 -1.941 1.00 0.00 H new ATOM 741 N GLU A 433 11.914 -6.599 -2.702 1.00 0.00 N ATOM 742 CA GLU A 433 13.005 -6.410 -3.662 1.00 0.00 C ATOM 743 C GLU A 433 12.615 -5.457 -4.793 1.00 0.00 C ATOM 744 O GLU A 433 13.346 -4.524 -5.113 1.00 0.00 O ATOM 745 CB GLU A 433 13.396 -7.763 -4.252 1.00 0.00 C ATOM 746 CG GLU A 433 14.595 -7.711 -5.181 1.00 0.00 C ATOM 747 CD GLU A 433 14.823 -9.029 -5.890 1.00 0.00 C ATOM 748 OE1 GLU A 433 14.057 -9.343 -6.826 1.00 0.00 O ATOM 749 OE2 GLU A 433 15.762 -9.762 -5.512 1.00 0.00 O ATOM 0 H GLU A 433 11.755 -7.574 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 433 13.846 -5.966 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.611 -8.454 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.544 -8.169 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.447 -6.923 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.485 -7.449 -4.609 1.00 0.00 H new ATOM 756 N ASN A 434 11.461 -5.702 -5.397 1.00 0.00 N ATOM 757 CA ASN A 434 10.998 -4.871 -6.498 1.00 0.00 C ATOM 758 C ASN A 434 9.680 -4.174 -6.151 1.00 0.00 C ATOM 759 O ASN A 434 8.701 -4.255 -6.896 1.00 0.00 O ATOM 760 CB ASN A 434 10.844 -5.706 -7.776 1.00 0.00 C ATOM 761 CG ASN A 434 10.634 -4.857 -9.016 1.00 0.00 C ATOM 762 OD1 ASN A 434 11.088 -3.714 -9.092 1.00 0.00 O ATOM 763 ND2 ASN A 434 9.943 -5.416 -9.999 1.00 0.00 N ATOM 0 H ASN A 434 10.832 -6.464 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 434 11.749 -4.101 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.733 -6.322 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.000 -6.386 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.769 -4.897 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.585 -6.365 -9.895 1.00 0.00 H new ATOM 770 N GLY A 435 9.648 -3.513 -5.000 1.00 0.00 N ATOM 771 CA GLY A 435 8.518 -2.654 -4.675 1.00 0.00 C ATOM 772 C GLY A 435 7.529 -3.277 -3.707 1.00 0.00 C ATOM 773 O GLY A 435 7.809 -4.305 -3.095 1.00 0.00 O ATOM 0 H GLY A 435 10.377 -3.554 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.893 -1.724 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.995 -2.394 -5.596 1.00 0.00 H new ATOM 777 N TRP A 436 6.368 -2.635 -3.575 1.00 0.00 N ATOM 778 CA TRP A 436 5.302 -3.095 -2.687 1.00 0.00 C ATOM 779 C TRP A 436 4.897 -4.534 -3.043 1.00 0.00 C ATOM 780 O TRP A 436 4.399 -4.797 -4.139 1.00 0.00 O ATOM 781 CB TRP A 436 4.101 -2.148 -2.807 1.00 0.00 C ATOM 782 CG TRP A 436 4.392 -0.723 -2.409 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.334 0.386 -3.210 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.773 -0.256 -1.111 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.661 1.507 -2.488 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.934 1.140 -1.196 1.00 0.00 C ATOM 787 CE3 TRP A 436 4.996 -0.882 0.116 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.306 1.914 -0.100 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.364 -0.112 1.203 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.516 1.271 1.089 1.00 0.00 C ATOM 0 H TRP A 436 6.141 -1.780 -4.082 1.00 0.00 H new ATOM 0 HA TRP A 436 5.658 -3.090 -1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.746 -2.160 -3.837 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.290 -2.528 -2.186 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.070 0.380 -4.257 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.695 2.459 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.883 -1.952 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.425 2.984 -0.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.537 -0.588 2.157 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.805 1.845 1.957 1.00 0.00 H new ATOM 801 N SER A 437 5.103 -5.446 -2.098 1.00 0.00 N ATOM 802 CA SER A 437 5.008 -6.879 -2.351 1.00 0.00 C ATOM 803 C SER A 437 3.561 -7.388 -2.458 1.00 0.00 C ATOM 804 O SER A 437 3.242 -8.098 -3.412 1.00 0.00 O ATOM 805 CB SER A 437 5.811 -7.642 -1.288 1.00 0.00 C ATOM 806 OG SER A 437 5.738 -6.999 -0.023 1.00 0.00 O ATOM 0 H SER A 437 5.341 -5.212 -1.134 1.00 0.00 H new ATOM 0 HA SER A 437 5.443 -7.070 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.430 -8.660 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.853 -7.716 -1.601 1.00 0.00 H new ATOM 0 HG SER A 437 6.257 -7.509 0.633 1.00 0.00 H new ATOM 812 N PRO A 438 2.657 -7.064 -1.502 1.00 0.00 N ATOM 813 CA PRO A 438 1.236 -7.382 -1.649 1.00 0.00 C ATOM 814 C PRO A 438 0.627 -6.657 -2.833 1.00 0.00 C ATOM 815 O PRO A 438 -0.380 -7.092 -3.389 1.00 0.00 O ATOM 816 CB PRO A 438 0.607 -6.844 -0.367 1.00 0.00 C ATOM 817 CG PRO A 438 1.718 -6.765 0.606 1.00 0.00 C ATOM 818 CD PRO A 438 2.924 -6.417 -0.207 1.00 0.00 C ATOM 0 HA PRO A 438 1.076 -8.448 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.156 -5.865 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.184 -7.504 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.523 -6.008 1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.854 -7.713 1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.041 -5.338 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.839 -6.793 0.250 1.00 0.00 H new ATOM 826 N THR A 439 1.274 -5.555 -3.209 1.00 0.00 N ATOM 827 CA THR A 439 0.754 -4.641 -4.210 1.00 0.00 C ATOM 828 C THR A 439 -0.435 -3.864 -3.637 1.00 0.00 C ATOM 829 O THR A 439 -1.503 -4.427 -3.399 1.00 0.00 O ATOM 830 CB THR A 439 0.334 -5.379 -5.495 1.00 0.00 C ATOM 831 OG1 THR A 439 1.432 -6.156 -5.993 1.00 0.00 O ATOM 832 CG2 THR A 439 -0.124 -4.397 -6.564 1.00 0.00 C ATOM 0 H THR A 439 2.176 -5.275 -2.823 1.00 0.00 H new ATOM 0 HA THR A 439 1.552 -3.947 -4.475 1.00 0.00 H new ATOM 0 HB THR A 439 -0.500 -6.038 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.158 -6.624 -6.809 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.415 -4.945 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.977 -3.828 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.691 -3.714 -6.804 1.00 0.00 H new ATOM 840 N PRO A 440 -0.256 -2.559 -3.399 1.00 0.00 N ATOM 841 CA PRO A 440 -1.281 -1.722 -2.782 1.00 0.00 C ATOM 842 C PRO A 440 -2.399 -1.371 -3.756 1.00 0.00 C ATOM 843 O PRO A 440 -2.425 -0.287 -4.339 1.00 0.00 O ATOM 844 CB PRO A 440 -0.510 -0.476 -2.351 1.00 0.00 C ATOM 845 CG PRO A 440 0.650 -0.393 -3.283 1.00 0.00 C ATOM 846 CD PRO A 440 0.952 -1.795 -3.741 1.00 0.00 C ATOM 0 HA PRO A 440 -1.783 -2.224 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.133 0.416 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.179 -0.556 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.416 0.248 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.515 0.044 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.154 -1.829 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.832 -2.197 -3.238 1.00 0.00 H new ATOM 854 N ARG A 441 -3.307 -2.312 -3.944 1.00 0.00 N ATOM 855 CA ARG A 441 -4.450 -2.118 -4.816 1.00 0.00 C ATOM 856 C ARG A 441 -5.700 -2.722 -4.188 1.00 0.00 C ATOM 857 O ARG A 441 -5.899 -3.938 -4.207 1.00 0.00 O ATOM 858 CB ARG A 441 -4.186 -2.744 -6.193 1.00 0.00 C ATOM 859 CG ARG A 441 -3.712 -4.193 -6.131 1.00 0.00 C ATOM 860 CD ARG A 441 -3.573 -4.809 -7.515 1.00 0.00 C ATOM 861 NE ARG A 441 -4.852 -4.903 -8.211 1.00 0.00 N ATOM 862 CZ ARG A 441 -5.118 -4.313 -9.374 1.00 0.00 C ATOM 863 NH1 ARG A 441 -4.183 -3.601 -9.994 1.00 0.00 N ATOM 864 NH2 ARG A 441 -6.318 -4.453 -9.921 1.00 0.00 N ATOM 0 H ARG A 441 -3.273 -3.229 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.609 -1.048 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.100 -2.696 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.437 -2.149 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.752 -4.238 -5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.417 -4.780 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.882 -4.211 -8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.137 -5.804 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.591 -5.457 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.256 -3.505 -9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.392 -3.151 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.031 -5.010 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.528 -4.003 -10.812 1.00 0.00 H new ATOM 878 N CYS A 442 -6.533 -1.879 -3.608 1.00 0.00 N ATOM 879 CA CYS A 442 -7.736 -2.357 -2.961 1.00 0.00 C ATOM 880 C CYS A 442 -8.913 -2.341 -3.923 1.00 0.00 C ATOM 881 O CYS A 442 -9.215 -1.327 -4.555 1.00 0.00 O ATOM 882 CB CYS A 442 -8.028 -1.555 -1.693 1.00 0.00 C ATOM 883 SG CYS A 442 -8.111 0.247 -1.918 1.00 0.00 S ATOM 0 H CYS A 442 -6.399 -0.868 -3.572 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.576 -3.393 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.975 -1.897 -1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.257 -1.778 -0.956 1.00 0.00 H new ATOM 888 N ILE A 443 -9.544 -3.493 -4.051 1.00 0.00 N ATOM 889 CA ILE A 443 -10.655 -3.677 -4.954 1.00 0.00 C ATOM 890 C ILE A 443 -11.971 -3.645 -4.194 1.00 0.00 C ATOM 891 O ILE A 443 -12.009 -3.897 -2.988 1.00 0.00 O ATOM 892 CB ILE A 443 -10.532 -5.022 -5.693 1.00 0.00 C ATOM 893 CG1 ILE A 443 -10.100 -6.137 -4.727 1.00 0.00 C ATOM 894 CG2 ILE A 443 -9.558 -4.904 -6.859 1.00 0.00 C ATOM 895 CD1 ILE A 443 -10.078 -7.512 -5.353 1.00 0.00 C ATOM 0 H ILE A 443 -9.295 -4.331 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.637 -2.863 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 443 -11.511 -5.285 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -9.106 -5.907 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -10.777 -6.148 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.484 -5.864 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.917 -4.148 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -8.576 -4.615 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -9.764 -8.245 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -11.076 -7.764 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -9.379 -7.520 -6.189 1.00 0.00 H new ATOM 907 N ARG A 444 -13.043 -3.314 -4.900 1.00 0.00 N ATOM 908 CA ARG A 444 -14.360 -3.325 -4.332 1.00 0.00 C ATOM 909 C ARG A 444 -14.770 -4.742 -4.007 1.00 0.00 C ATOM 910 O ARG A 444 -14.931 -5.582 -4.894 1.00 0.00 O ATOM 911 CB ARG A 444 -15.338 -2.680 -5.309 1.00 0.00 C ATOM 912 CG ARG A 444 -16.775 -2.837 -4.895 1.00 0.00 C ATOM 913 CD ARG A 444 -17.726 -2.189 -5.887 1.00 0.00 C ATOM 914 NE ARG A 444 -19.121 -2.538 -5.620 1.00 0.00 N ATOM 915 CZ ARG A 444 -20.149 -2.146 -6.375 1.00 0.00 C ATOM 916 NH1 ARG A 444 -19.949 -1.377 -7.438 1.00 0.00 N ATOM 917 NH2 ARG A 444 -21.378 -2.527 -6.059 1.00 0.00 N ATOM 0 H ARG A 444 -13.012 -3.033 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 444 -14.366 -2.752 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -15.106 -1.619 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -15.200 -3.121 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -17.013 -3.897 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.920 -2.392 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.609 -1.106 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.462 -2.500 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 444 -19.321 -3.118 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -19.004 -1.081 -7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.740 -1.082 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -21.535 -3.117 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -22.167 -2.230 -6.633 1.00 0.00 H new ATOM 931 N VAL A 445 -14.923 -4.993 -2.725 1.00 0.00 N ATOM 932 CA VAL A 445 -15.208 -6.320 -2.239 1.00 0.00 C ATOM 933 C VAL A 445 -16.711 -6.529 -2.103 1.00 0.00 C ATOM 934 O VAL A 445 -17.193 -7.659 -2.027 1.00 0.00 O ATOM 935 CB VAL A 445 -14.498 -6.558 -0.888 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.174 -5.785 0.237 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.409 -8.044 -0.563 1.00 0.00 C ATOM 0 H VAL A 445 -14.853 -4.284 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.829 -7.044 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.480 -6.180 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.650 -5.974 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.145 -4.718 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.211 -6.109 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.904 -8.178 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.413 -8.465 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.846 -8.554 -1.345 1.00 0.00 H new ATOM 947 N LYS A 446 -17.448 -5.427 -2.088 1.00 0.00 N ATOM 948 CA LYS A 446 -18.892 -5.476 -1.979 1.00 0.00 C ATOM 949 C LYS A 446 -19.501 -4.247 -2.638 1.00 0.00 C ATOM 950 O LYS A 446 -19.472 -3.162 -2.024 1.00 0.00 O ATOM 951 CB LYS A 446 -19.320 -5.570 -0.511 1.00 0.00 C ATOM 952 CG LYS A 446 -20.821 -5.709 -0.325 1.00 0.00 C ATOM 953 CD LYS A 446 -21.180 -6.055 1.109 1.00 0.00 C ATOM 954 CE LYS A 446 -22.674 -6.296 1.261 1.00 0.00 C ATOM 955 NZ LYS A 446 -23.162 -7.358 0.341 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.992 -4.367 -3.777 1.00 0.00 O ATOM 0 H LYS A 446 -17.063 -4.485 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 446 -19.254 -6.367 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.824 -6.424 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.977 -4.680 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -21.310 -4.777 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -21.200 -6.483 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.632 -6.945 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.871 -5.245 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -22.893 -6.579 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -23.213 -5.369 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -24.077 -7.718 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -23.278 -6.963 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -22.473 -8.136 0.313 1.00 0.00 H new TER 970 LYS A 446