USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 294 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 826 HIS HE2 : A 826 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 830 HIS HE2 : A 830 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 797 SER OG : rot 27:sc= 0.619 USER MOD Single : A 798 SER OG : rot 180:sc= 0 USER MOD Single : A 800 SER OG : rot 7:sc= 1.18 USER MOD Single : A 801 SER OG : rot 180:sc=-0.00683 USER MOD Single : A 803 SER OG : rot 18:sc= 0.885 USER MOD Single : A 806 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 808 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 815 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0363) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 821 SER OG : rot 180:sc= 0 USER MOD Single : A 829 THR OG1 : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 837 SER OG : rot 180:sc= 0 USER MOD Single : A 838 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 796 -30.935 3.067 -11.693 1.00 0.00 N ATOM 2 CA GLY A 796 -29.486 2.988 -11.666 1.00 0.00 C ATOM 3 C GLY A 796 -28.947 1.912 -12.587 1.00 0.00 C ATOM 4 O GLY A 796 -29.657 1.423 -13.465 1.00 0.00 O ATOM 0 HA2 GLY A 796 -29.067 3.952 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 796 -29.155 2.789 -10.647 1.00 0.00 H new ATOM 8 N SER A 797 -27.686 1.541 -12.386 1.00 0.00 N ATOM 9 CA SER A 797 -27.050 0.519 -13.209 1.00 0.00 C ATOM 10 C SER A 797 -25.882 -0.126 -12.468 1.00 0.00 C ATOM 11 O SER A 797 -25.406 0.399 -11.461 1.00 0.00 O ATOM 12 CB SER A 797 -26.560 1.125 -14.526 1.00 0.00 C ATOM 13 OG SER A 797 -27.613 1.212 -15.470 1.00 0.00 O ATOM 0 H SER A 797 -27.085 1.933 -11.661 1.00 0.00 H new ATOM 0 HA SER A 797 -27.791 -0.251 -13.425 1.00 0.00 H new ATOM 0 HB2 SER A 797 -26.149 2.118 -14.342 1.00 0.00 H new ATOM 0 HB3 SER A 797 -25.753 0.516 -14.932 1.00 0.00 H new ATOM 0 HG SER A 797 -28.470 1.278 -14.999 1.00 0.00 H new ATOM 19 N SER A 798 -25.426 -1.267 -12.974 1.00 0.00 N ATOM 20 CA SER A 798 -24.317 -1.987 -12.359 1.00 0.00 C ATOM 21 C SER A 798 -23.206 -2.242 -13.373 1.00 0.00 C ATOM 22 O SER A 798 -23.446 -2.788 -14.450 1.00 0.00 O ATOM 23 CB SER A 798 -24.804 -3.314 -11.775 1.00 0.00 C ATOM 24 OG SER A 798 -25.248 -3.151 -10.439 1.00 0.00 O ATOM 0 H SER A 798 -25.807 -1.713 -13.808 1.00 0.00 H new ATOM 0 HA SER A 798 -23.917 -1.369 -11.555 1.00 0.00 H new ATOM 0 HB2 SER A 798 -25.616 -3.707 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 798 -23.998 -4.047 -11.807 1.00 0.00 H new ATOM 0 HG SER A 798 -25.556 -4.013 -10.089 1.00 0.00 H new ATOM 30 N GLY A 799 -21.988 -1.842 -13.021 1.00 0.00 N ATOM 31 CA GLY A 799 -20.857 -2.035 -13.910 1.00 0.00 C ATOM 32 C GLY A 799 -19.528 -1.822 -13.213 1.00 0.00 C ATOM 33 O GLY A 799 -19.209 -0.708 -12.799 1.00 0.00 O ATOM 0 H GLY A 799 -21.764 -1.388 -12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -20.890 -3.044 -14.321 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -20.938 -1.345 -14.750 1.00 0.00 H new ATOM 37 N SER A 800 -18.753 -2.893 -13.081 1.00 0.00 N ATOM 38 CA SER A 800 -17.453 -2.820 -12.424 1.00 0.00 C ATOM 39 C SER A 800 -16.619 -4.061 -12.729 1.00 0.00 C ATOM 40 O SER A 800 -17.137 -5.176 -12.766 1.00 0.00 O ATOM 41 CB SER A 800 -17.630 -2.669 -10.912 1.00 0.00 C ATOM 42 OG SER A 800 -17.963 -1.335 -10.568 1.00 0.00 O ATOM 0 H SER A 800 -19.002 -3.822 -13.420 1.00 0.00 H new ATOM 0 HA SER A 800 -16.927 -1.947 -12.810 1.00 0.00 H new ATOM 0 HB2 SER A 800 -18.413 -3.343 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 800 -16.710 -2.960 -10.404 1.00 0.00 H new ATOM 0 HG SER A 800 -18.122 -0.817 -11.384 1.00 0.00 H new ATOM 48 N SER A 801 -15.324 -3.857 -12.946 1.00 0.00 N ATOM 49 CA SER A 801 -14.417 -4.957 -13.251 1.00 0.00 C ATOM 50 C SER A 801 -12.968 -4.479 -13.268 1.00 0.00 C ATOM 51 O SER A 801 -12.697 -3.282 -13.188 1.00 0.00 O ATOM 52 CB SER A 801 -14.776 -5.582 -14.600 1.00 0.00 C ATOM 53 OG SER A 801 -14.192 -6.866 -14.739 1.00 0.00 O ATOM 0 H SER A 801 -14.879 -2.940 -12.916 1.00 0.00 H new ATOM 0 HA SER A 801 -14.523 -5.710 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 801 -15.859 -5.660 -14.691 1.00 0.00 H new ATOM 0 HB3 SER A 801 -14.434 -4.934 -15.407 1.00 0.00 H new ATOM 0 HG SER A 801 -14.438 -7.245 -15.609 1.00 0.00 H new ATOM 59 N GLY A 802 -12.041 -5.426 -13.374 1.00 0.00 N ATOM 60 CA GLY A 802 -10.631 -5.083 -13.400 1.00 0.00 C ATOM 61 C GLY A 802 -9.743 -6.293 -13.614 1.00 0.00 C ATOM 62 O GLY A 802 -9.353 -6.962 -12.658 1.00 0.00 O ATOM 0 H GLY A 802 -12.241 -6.424 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 802 -10.451 -4.359 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 802 -10.361 -4.599 -12.461 1.00 0.00 H new ATOM 66 N SER A 803 -9.425 -6.576 -14.873 1.00 0.00 N ATOM 67 CA SER A 803 -8.583 -7.717 -15.211 1.00 0.00 C ATOM 68 C SER A 803 -7.506 -7.930 -14.151 1.00 0.00 C ATOM 69 O SER A 803 -6.640 -7.080 -13.951 1.00 0.00 O ATOM 70 CB SER A 803 -7.933 -7.511 -16.580 1.00 0.00 C ATOM 71 OG SER A 803 -6.941 -6.501 -16.527 1.00 0.00 O ATOM 0 H SER A 803 -9.738 -6.030 -15.676 1.00 0.00 H new ATOM 0 HA SER A 803 -9.214 -8.605 -15.247 1.00 0.00 H new ATOM 0 HB2 SER A 803 -7.487 -8.446 -16.918 1.00 0.00 H new ATOM 0 HB3 SER A 803 -8.695 -7.239 -17.310 1.00 0.00 H new ATOM 0 HG SER A 803 -6.674 -6.353 -15.596 1.00 0.00 H new ATOM 77 N GLY A 804 -7.569 -9.073 -13.474 1.00 0.00 N ATOM 78 CA GLY A 804 -6.595 -9.378 -12.442 1.00 0.00 C ATOM 79 C GLY A 804 -6.758 -8.506 -11.214 1.00 0.00 C ATOM 80 O GLY A 804 -7.084 -7.324 -11.323 1.00 0.00 O ATOM 0 H GLY A 804 -8.277 -9.793 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -6.690 -10.425 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -5.591 -9.248 -12.845 1.00 0.00 H new ATOM 84 N GLU A 805 -6.534 -9.090 -10.041 1.00 0.00 N ATOM 85 CA GLU A 805 -6.662 -8.357 -8.786 1.00 0.00 C ATOM 86 C GLU A 805 -5.426 -7.500 -8.529 1.00 0.00 C ATOM 87 O GLU A 805 -4.301 -7.910 -8.817 1.00 0.00 O ATOM 88 CB GLU A 805 -6.875 -9.328 -7.623 1.00 0.00 C ATOM 89 CG GLU A 805 -5.634 -10.126 -7.261 1.00 0.00 C ATOM 90 CD GLU A 805 -5.695 -10.696 -5.857 1.00 0.00 C ATOM 91 OE1 GLU A 805 -6.748 -11.261 -5.493 1.00 0.00 O ATOM 92 OE2 GLU A 805 -4.692 -10.577 -5.124 1.00 0.00 O ATOM 0 H GLU A 805 -6.263 -10.067 -9.933 1.00 0.00 H new ATOM 0 HA GLU A 805 -7.528 -7.700 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -7.204 -8.767 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -7.678 -10.018 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -5.510 -10.941 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -4.756 -9.486 -7.351 1.00 0.00 H new ATOM 99 N LYS A 806 -5.643 -6.308 -7.984 1.00 0.00 N ATOM 100 CA LYS A 806 -4.549 -5.392 -7.686 1.00 0.00 C ATOM 101 C LYS A 806 -3.855 -5.778 -6.384 1.00 0.00 C ATOM 102 O LYS A 806 -4.489 -6.194 -5.414 1.00 0.00 O ATOM 103 CB LYS A 806 -5.070 -3.956 -7.592 1.00 0.00 C ATOM 104 CG LYS A 806 -5.938 -3.545 -8.768 1.00 0.00 C ATOM 105 CD LYS A 806 -5.118 -3.384 -10.037 1.00 0.00 C ATOM 106 CE LYS A 806 -5.790 -2.435 -11.018 1.00 0.00 C ATOM 107 NZ LYS A 806 -6.744 -3.146 -11.913 1.00 0.00 N ATOM 0 H LYS A 806 -6.568 -5.954 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 806 -3.823 -5.457 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 806 -5.644 -3.846 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 806 -4.222 -3.275 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 806 -6.714 -4.294 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 806 -6.443 -2.607 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 806 -4.127 -3.007 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 806 -4.979 -4.357 -10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 806 -6.320 -1.658 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 806 -5.030 -1.937 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 806 -7.181 -2.465 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 806 -6.234 -3.870 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 806 -7.484 -3.600 -11.341 1.00 0.00 H new ATOM 121 N PRO A 807 -2.521 -5.638 -6.359 1.00 0.00 N ATOM 122 CA PRO A 807 -1.712 -5.966 -5.181 1.00 0.00 C ATOM 123 C PRO A 807 -1.935 -4.985 -4.035 1.00 0.00 C ATOM 124 O PRO A 807 -2.154 -5.390 -2.893 1.00 0.00 O ATOM 125 CB PRO A 807 -0.275 -5.866 -5.699 1.00 0.00 C ATOM 126 CG PRO A 807 -0.352 -4.925 -6.851 1.00 0.00 C ATOM 127 CD PRO A 807 -1.699 -5.149 -7.479 1.00 0.00 C ATOM 0 HA PRO A 807 -1.965 -6.944 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 807 0.399 -5.493 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 807 0.103 -6.840 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 807 -0.243 -3.892 -6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 807 0.448 -5.117 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 807 -2.103 -4.229 -7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 807 -1.649 -5.877 -8.288 1.00 0.00 H new ATOM 135 N TYR A 808 -1.877 -3.695 -4.346 1.00 0.00 N ATOM 136 CA TYR A 808 -2.071 -2.657 -3.341 1.00 0.00 C ATOM 137 C TYR A 808 -3.474 -2.066 -3.432 1.00 0.00 C ATOM 138 O TYR A 808 -4.150 -2.198 -4.451 1.00 0.00 O ATOM 139 CB TYR A 808 -1.027 -1.552 -3.511 1.00 0.00 C ATOM 140 CG TYR A 808 0.347 -2.068 -3.874 1.00 0.00 C ATOM 141 CD1 TYR A 808 1.260 -2.423 -2.888 1.00 0.00 C ATOM 142 CD2 TYR A 808 0.733 -2.199 -5.202 1.00 0.00 C ATOM 143 CE1 TYR A 808 2.517 -2.894 -3.215 1.00 0.00 C ATOM 144 CE2 TYR A 808 1.987 -2.670 -5.538 1.00 0.00 C ATOM 145 CZ TYR A 808 2.876 -3.016 -4.541 1.00 0.00 C ATOM 146 OH TYR A 808 4.127 -3.485 -4.872 1.00 0.00 O ATOM 0 H TYR A 808 -1.697 -3.343 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 808 -1.952 -3.112 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 808 -1.363 -0.862 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 808 -0.959 -0.982 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 808 0.982 -2.329 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 808 0.041 -1.928 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 808 3.215 -3.165 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 808 2.270 -2.767 -6.576 1.00 0.00 H new ATOM 0 HH TYR A 808 4.219 -3.511 -5.847 1.00 0.00 H new ATOM 156 N GLU A 809 -3.904 -1.411 -2.357 1.00 0.00 N ATOM 157 CA GLU A 809 -5.227 -0.799 -2.315 1.00 0.00 C ATOM 158 C GLU A 809 -5.344 0.163 -1.137 1.00 0.00 C ATOM 159 O GLU A 809 -5.418 -0.257 0.018 1.00 0.00 O ATOM 160 CB GLU A 809 -6.309 -1.876 -2.217 1.00 0.00 C ATOM 161 CG GLU A 809 -7.623 -1.481 -2.870 1.00 0.00 C ATOM 162 CD GLU A 809 -8.559 -2.659 -3.058 1.00 0.00 C ATOM 163 OE1 GLU A 809 -8.780 -3.402 -2.079 1.00 0.00 O ATOM 164 OE2 GLU A 809 -9.071 -2.837 -4.183 1.00 0.00 O ATOM 0 H GLU A 809 -3.356 -1.291 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 809 -5.368 -0.236 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 809 -5.942 -2.791 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 809 -6.489 -2.103 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 809 -8.115 -0.725 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 809 -7.420 -1.025 -3.839 1.00 0.00 H new ATOM 171 N CYS A 810 -5.360 1.458 -1.437 1.00 0.00 N ATOM 172 CA CYS A 810 -5.466 2.482 -0.405 1.00 0.00 C ATOM 173 C CYS A 810 -6.365 2.013 0.735 1.00 0.00 C ATOM 174 O CYS A 810 -7.258 1.190 0.537 1.00 0.00 O ATOM 175 CB CYS A 810 -6.014 3.780 -1.000 1.00 0.00 C ATOM 176 SG CYS A 810 -5.859 5.225 0.099 1.00 0.00 S ATOM 0 H CYS A 810 -5.301 1.823 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 810 -4.468 2.666 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 810 -5.491 3.989 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 810 -7.066 3.637 -1.249 1.00 0.00 H new ATOM 181 N ASN A 811 -6.123 2.543 1.930 1.00 0.00 N ATOM 182 CA ASN A 811 -6.910 2.179 3.102 1.00 0.00 C ATOM 183 C ASN A 811 -7.901 3.284 3.456 1.00 0.00 C ATOM 184 O ASN A 811 -9.019 3.011 3.892 1.00 0.00 O ATOM 185 CB ASN A 811 -5.991 1.903 4.294 1.00 0.00 C ATOM 186 CG ASN A 811 -6.764 1.577 5.557 1.00 0.00 C ATOM 187 OD1 ASN A 811 -7.093 2.465 6.343 1.00 0.00 O ATOM 188 ND2 ASN A 811 -7.057 0.297 5.757 1.00 0.00 N ATOM 0 H ASN A 811 -5.388 3.226 2.112 1.00 0.00 H new ATOM 0 HA ASN A 811 -7.470 1.274 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -5.327 1.073 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.360 2.774 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -7.575 0.016 6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -6.764 -0.405 5.078 1.00 0.00 H new ATOM 195 N GLU A 812 -7.483 4.531 3.263 1.00 0.00 N ATOM 196 CA GLU A 812 -8.335 5.676 3.562 1.00 0.00 C ATOM 197 C GLU A 812 -9.648 5.594 2.789 1.00 0.00 C ATOM 198 O GLU A 812 -10.730 5.680 3.370 1.00 0.00 O ATOM 199 CB GLU A 812 -7.611 6.981 3.223 1.00 0.00 C ATOM 200 CG GLU A 812 -8.069 8.165 4.057 1.00 0.00 C ATOM 201 CD GLU A 812 -9.574 8.349 4.034 1.00 0.00 C ATOM 202 OE1 GLU A 812 -10.073 9.033 3.116 1.00 0.00 O ATOM 203 OE2 GLU A 812 -10.252 7.809 4.932 1.00 0.00 O ATOM 0 H GLU A 812 -6.561 4.774 2.901 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.560 5.660 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -6.540 6.840 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -7.765 7.209 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -7.739 8.028 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -7.590 9.072 3.687 1.00 0.00 H new ATOM 210 N CYS A 813 -9.544 5.429 1.474 1.00 0.00 N ATOM 211 CA CYS A 813 -10.721 5.337 0.619 1.00 0.00 C ATOM 212 C CYS A 813 -10.916 3.910 0.114 1.00 0.00 C ATOM 213 O CYS A 813 -12.009 3.352 0.203 1.00 0.00 O ATOM 214 CB CYS A 813 -10.594 6.296 -0.565 1.00 0.00 C ATOM 215 SG CYS A 813 -9.072 6.074 -1.542 1.00 0.00 S ATOM 0 H CYS A 813 -8.656 5.356 0.978 1.00 0.00 H new ATOM 0 HA CYS A 813 -11.592 5.616 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 813 -11.456 6.164 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 813 -10.629 7.320 -0.194 1.00 0.00 H new ATOM 220 N GLY A 814 -9.847 3.325 -0.417 1.00 0.00 N ATOM 221 CA GLY A 814 -9.920 1.969 -0.929 1.00 0.00 C ATOM 222 C GLY A 814 -9.514 1.877 -2.386 1.00 0.00 C ATOM 223 O GLY A 814 -9.763 0.867 -3.045 1.00 0.00 O ATOM 0 H GLY A 814 -8.931 3.766 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -9.274 1.324 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -10.937 1.595 -0.814 1.00 0.00 H new ATOM 227 N LYS A 815 -8.889 2.934 -2.893 1.00 0.00 N ATOM 228 CA LYS A 815 -8.448 2.970 -4.283 1.00 0.00 C ATOM 229 C LYS A 815 -7.549 1.779 -4.599 1.00 0.00 C ATOM 230 O LYS A 815 -7.042 1.115 -3.695 1.00 0.00 O ATOM 231 CB LYS A 815 -7.703 4.275 -4.569 1.00 0.00 C ATOM 232 CG LYS A 815 -8.617 5.481 -4.700 1.00 0.00 C ATOM 233 CD LYS A 815 -9.161 5.618 -6.112 1.00 0.00 C ATOM 234 CE LYS A 815 -10.043 6.849 -6.253 1.00 0.00 C ATOM 235 NZ LYS A 815 -11.318 6.707 -5.497 1.00 0.00 N ATOM 0 H LYS A 815 -8.676 3.778 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.331 2.916 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -6.987 4.458 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.130 4.162 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.445 5.389 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.070 6.384 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -8.333 5.680 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -9.734 4.727 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -9.504 7.725 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -10.263 7.020 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -11.934 7.520 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -11.797 5.830 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -11.115 6.672 -4.478 1.00 0.00 H new ATOM 249 N ALA A 816 -7.355 1.515 -5.887 1.00 0.00 N ATOM 250 CA ALA A 816 -6.514 0.407 -6.321 1.00 0.00 C ATOM 251 C ALA A 816 -5.446 0.879 -7.302 1.00 0.00 C ATOM 252 O ALA A 816 -5.697 1.748 -8.137 1.00 0.00 O ATOM 253 CB ALA A 816 -7.365 -0.686 -6.950 1.00 0.00 C ATOM 0 H ALA A 816 -7.769 2.054 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 816 -6.010 0.001 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 816 -6.724 -1.508 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 816 -8.086 -1.052 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 816 -7.896 -0.283 -7.813 1.00 0.00 H new ATOM 259 N PHE A 817 -4.254 0.303 -7.194 1.00 0.00 N ATOM 260 CA PHE A 817 -3.147 0.667 -8.071 1.00 0.00 C ATOM 261 C PHE A 817 -2.245 -0.536 -8.336 1.00 0.00 C ATOM 262 O PHE A 817 -1.797 -1.206 -7.405 1.00 0.00 O ATOM 263 CB PHE A 817 -2.331 1.804 -7.452 1.00 0.00 C ATOM 264 CG PHE A 817 -3.175 2.930 -6.927 1.00 0.00 C ATOM 265 CD1 PHE A 817 -3.671 2.896 -5.634 1.00 0.00 C ATOM 266 CD2 PHE A 817 -3.472 4.022 -7.727 1.00 0.00 C ATOM 267 CE1 PHE A 817 -4.448 3.931 -5.147 1.00 0.00 C ATOM 268 CE2 PHE A 817 -4.247 5.059 -7.245 1.00 0.00 C ATOM 269 CZ PHE A 817 -4.737 5.014 -5.955 1.00 0.00 C ATOM 0 H PHE A 817 -4.029 -0.418 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 817 -3.563 1.003 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 817 -1.725 1.405 -6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 817 -1.642 2.195 -8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 817 -3.448 2.051 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 817 -3.094 4.063 -8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 817 -4.828 3.893 -4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 817 -4.470 5.905 -7.878 1.00 0.00 H new ATOM 0 HZ PHE A 817 -5.345 5.823 -5.578 1.00 0.00 H new ATOM 279 N ILE A 818 -1.984 -0.802 -9.611 1.00 0.00 N ATOM 280 CA ILE A 818 -1.136 -1.923 -9.999 1.00 0.00 C ATOM 281 C ILE A 818 0.276 -1.760 -9.446 1.00 0.00 C ATOM 282 O ILE A 818 0.966 -2.745 -9.181 1.00 0.00 O ATOM 283 CB ILE A 818 -1.062 -2.069 -11.530 1.00 0.00 C ATOM 284 CG1 ILE A 818 -0.554 -0.772 -12.164 1.00 0.00 C ATOM 285 CG2 ILE A 818 -2.425 -2.441 -12.093 1.00 0.00 C ATOM 286 CD1 ILE A 818 0.002 -0.959 -13.559 1.00 0.00 C ATOM 0 H ILE A 818 -2.347 -0.257 -10.393 1.00 0.00 H new ATOM 0 HA ILE A 818 -1.587 -2.821 -9.578 1.00 0.00 H new ATOM 0 HB ILE A 818 -0.361 -2.868 -11.770 1.00 0.00 H new ATOM 0 HG12 ILE A 818 -1.370 -0.051 -12.201 1.00 0.00 H new ATOM 0 HG13 ILE A 818 0.220 -0.345 -11.527 1.00 0.00 H new ATOM 0 HG21 ILE A 818 -2.356 -2.541 -13.176 1.00 0.00 H new ATOM 0 HG22 ILE A 818 -2.751 -3.387 -11.662 1.00 0.00 H new ATOM 0 HG23 ILE A 818 -3.146 -1.662 -11.845 1.00 0.00 H new ATOM 0 HD11 ILE A 818 0.343 0.001 -13.946 1.00 0.00 H new ATOM 0 HD12 ILE A 818 0.840 -1.656 -13.526 1.00 0.00 H new ATOM 0 HD13 ILE A 818 -0.776 -1.357 -14.210 1.00 0.00 H new ATOM 298 N TRP A 819 0.697 -0.513 -9.272 1.00 0.00 N ATOM 299 CA TRP A 819 2.027 -0.222 -8.748 1.00 0.00 C ATOM 300 C TRP A 819 1.943 0.359 -7.341 1.00 0.00 C ATOM 301 O TRP A 819 0.927 0.939 -6.958 1.00 0.00 O ATOM 302 CB TRP A 819 2.760 0.753 -9.672 1.00 0.00 C ATOM 303 CG TRP A 819 3.389 0.087 -10.858 1.00 0.00 C ATOM 304 CD1 TRP A 819 2.905 -0.988 -11.548 1.00 0.00 C ATOM 305 CD2 TRP A 819 4.620 0.451 -11.492 1.00 0.00 C ATOM 306 NE1 TRP A 819 3.761 -1.313 -12.573 1.00 0.00 N ATOM 307 CE2 TRP A 819 4.820 -0.445 -12.560 1.00 0.00 C ATOM 308 CE3 TRP A 819 5.572 1.449 -11.263 1.00 0.00 C ATOM 309 CZ2 TRP A 819 5.933 -0.373 -13.394 1.00 0.00 C ATOM 310 CZ3 TRP A 819 6.676 1.519 -12.091 1.00 0.00 C ATOM 311 CH2 TRP A 819 6.849 0.614 -13.146 1.00 0.00 C ATOM 0 H TRP A 819 0.138 0.313 -9.486 1.00 0.00 H new ATOM 0 HA TRP A 819 2.584 -1.158 -8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 819 2.058 1.511 -10.020 1.00 0.00 H new ATOM 0 HB3 TRP A 819 3.532 1.271 -9.103 1.00 0.00 H new ATOM 0 HD1 TRP A 819 1.985 -1.506 -11.321 1.00 0.00 H new ATOM 0 HE1 TRP A 819 3.629 -2.077 -13.236 1.00 0.00 H new ATOM 0 HE3 TRP A 819 5.447 2.153 -10.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 6.069 -1.071 -14.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 7.418 2.285 -11.922 1.00 0.00 H new ATOM 0 HH2 TRP A 819 7.722 0.696 -13.776 1.00 0.00 H new ATOM 322 N LYS A 820 3.016 0.199 -6.574 1.00 0.00 N ATOM 323 CA LYS A 820 3.064 0.708 -5.209 1.00 0.00 C ATOM 324 C LYS A 820 3.155 2.231 -5.199 1.00 0.00 C ATOM 325 O LYS A 820 2.287 2.910 -4.650 1.00 0.00 O ATOM 326 CB LYS A 820 4.259 0.111 -4.462 1.00 0.00 C ATOM 327 CG LYS A 820 4.469 0.703 -3.079 1.00 0.00 C ATOM 328 CD LYS A 820 3.317 0.365 -2.147 1.00 0.00 C ATOM 329 CE LYS A 820 3.499 1.007 -0.780 1.00 0.00 C ATOM 330 NZ LYS A 820 4.403 0.208 0.092 1.00 0.00 N ATOM 0 H LYS A 820 3.865 -0.280 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 820 2.144 0.413 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 820 4.118 -0.966 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 820 5.161 0.265 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 820 5.401 0.326 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 820 4.570 1.786 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 820 2.380 0.704 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 820 3.243 -0.717 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 820 3.906 2.011 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 820 2.528 1.113 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 4.501 0.679 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 4.003 -0.742 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 5.338 0.128 -0.357 1.00 0.00 H new ATOM 344 N SER A 821 4.208 2.761 -5.812 1.00 0.00 N ATOM 345 CA SER A 821 4.413 4.203 -5.872 1.00 0.00 C ATOM 346 C SER A 821 3.086 4.932 -6.059 1.00 0.00 C ATOM 347 O SER A 821 2.737 5.822 -5.281 1.00 0.00 O ATOM 348 CB SER A 821 5.368 4.557 -7.013 1.00 0.00 C ATOM 349 OG SER A 821 6.705 4.230 -6.679 1.00 0.00 O ATOM 0 H SER A 821 4.933 2.213 -6.275 1.00 0.00 H new ATOM 0 HA SER A 821 4.854 4.522 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 821 5.074 4.022 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 821 5.295 5.622 -7.235 1.00 0.00 H new ATOM 0 HG SER A 821 7.295 4.464 -7.425 1.00 0.00 H new ATOM 355 N LEU A 822 2.349 4.550 -7.096 1.00 0.00 N ATOM 356 CA LEU A 822 1.059 5.166 -7.388 1.00 0.00 C ATOM 357 C LEU A 822 0.212 5.279 -6.124 1.00 0.00 C ATOM 358 O LEU A 822 -0.468 6.283 -5.908 1.00 0.00 O ATOM 359 CB LEU A 822 0.311 4.354 -8.446 1.00 0.00 C ATOM 360 CG LEU A 822 1.080 4.062 -9.735 1.00 0.00 C ATOM 361 CD1 LEU A 822 0.270 3.153 -10.646 1.00 0.00 C ATOM 362 CD2 LEU A 822 1.434 5.358 -10.451 1.00 0.00 C ATOM 0 H LEU A 822 2.623 3.816 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 822 1.242 6.169 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 822 0.012 3.405 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 822 -0.604 4.887 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 822 2.006 3.550 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 822 0.833 2.956 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 822 0.068 2.212 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 822 -0.673 3.638 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 822 1.981 5.130 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 822 0.520 5.898 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 822 2.055 5.975 -9.801 1.00 0.00 H new ATOM 374 N LEU A 823 0.259 4.244 -5.293 1.00 0.00 N ATOM 375 CA LEU A 823 -0.503 4.228 -4.049 1.00 0.00 C ATOM 376 C LEU A 823 0.041 5.257 -3.063 1.00 0.00 C ATOM 377 O LEU A 823 -0.716 5.868 -2.308 1.00 0.00 O ATOM 378 CB LEU A 823 -0.462 2.833 -3.421 1.00 0.00 C ATOM 379 CG LEU A 823 -1.139 2.691 -2.058 1.00 0.00 C ATOM 380 CD1 LEU A 823 -2.639 2.911 -2.181 1.00 0.00 C ATOM 381 CD2 LEU A 823 -0.847 1.323 -1.457 1.00 0.00 C ATOM 0 H LEU A 823 0.816 3.406 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 823 -1.536 4.486 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -0.930 2.132 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 823 0.581 2.533 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 823 -0.734 3.453 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -3.104 2.806 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -2.829 3.912 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -3.060 2.173 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -1.337 1.240 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -1.224 0.546 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 823 0.229 1.203 -1.332 1.00 0.00 H new ATOM 393 N ILE A 824 1.356 5.446 -3.078 1.00 0.00 N ATOM 394 CA ILE A 824 2.000 6.404 -2.189 1.00 0.00 C ATOM 395 C ILE A 824 1.610 7.835 -2.546 1.00 0.00 C ATOM 396 O ILE A 824 1.083 8.572 -1.713 1.00 0.00 O ATOM 397 CB ILE A 824 3.534 6.275 -2.238 1.00 0.00 C ATOM 398 CG1 ILE A 824 3.964 4.873 -1.801 1.00 0.00 C ATOM 399 CG2 ILE A 824 4.183 7.332 -1.357 1.00 0.00 C ATOM 400 CD1 ILE A 824 5.359 4.500 -2.252 1.00 0.00 C ATOM 0 H ILE A 824 1.996 4.948 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 824 1.656 6.177 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 824 3.864 6.433 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 824 3.913 4.809 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 824 3.256 4.145 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 824 5.267 7.228 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 824 3.899 8.324 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 824 3.849 7.203 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 824 5.596 3.494 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 824 5.410 4.532 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 824 6.077 5.206 -1.834 1.00 0.00 H new ATOM 412 N VAL A 825 1.871 8.220 -3.791 1.00 0.00 N ATOM 413 CA VAL A 825 1.544 9.561 -4.261 1.00 0.00 C ATOM 414 C VAL A 825 0.067 9.872 -4.053 1.00 0.00 C ATOM 415 O VAL A 825 -0.355 11.025 -4.141 1.00 0.00 O ATOM 416 CB VAL A 825 1.889 9.733 -5.752 1.00 0.00 C ATOM 417 CG1 VAL A 825 1.576 11.148 -6.213 1.00 0.00 C ATOM 418 CG2 VAL A 825 3.350 9.392 -6.004 1.00 0.00 C ATOM 0 H VAL A 825 2.308 7.622 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 825 2.144 10.257 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 825 1.274 9.044 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 825 1.826 11.250 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 825 0.515 11.351 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 825 2.162 11.859 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 825 3.576 9.519 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 825 3.985 10.054 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 825 3.537 8.358 -5.715 1.00 0.00 H new ATOM 428 N HIS A 826 -0.717 8.834 -3.775 1.00 0.00 N ATOM 429 CA HIS A 826 -2.150 8.996 -3.553 1.00 0.00 C ATOM 430 C HIS A 826 -2.460 9.095 -2.063 1.00 0.00 C ATOM 431 O HIS A 826 -3.102 10.045 -1.615 1.00 0.00 O ATOM 432 CB HIS A 826 -2.919 7.828 -4.170 1.00 0.00 C ATOM 433 CG HIS A 826 -4.347 7.751 -3.728 1.00 0.00 C ATOM 434 ND1 HIS A 826 -5.393 8.259 -4.469 1.00 0.00 N ATOM 435 CD2 HIS A 826 -4.902 7.219 -2.613 1.00 0.00 C ATOM 436 CE1 HIS A 826 -6.529 8.045 -3.829 1.00 0.00 C ATOM 437 NE2 HIS A 826 -6.258 7.415 -2.700 1.00 0.00 N ATOM 0 H HIS A 826 -0.384 7.873 -3.698 1.00 0.00 H new ATOM 0 HA HIS A 826 -2.465 9.922 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 826 -2.888 7.916 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 826 -2.417 6.896 -3.911 1.00 0.00 H new ATOM 0 HD1 HIS A 826 -5.304 8.727 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 826 -4.376 6.731 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 826 -7.511 8.336 -4.171 1.00 0.00 H new ATOM 445 N GLU A 827 -2.002 8.107 -1.301 1.00 0.00 N ATOM 446 CA GLU A 827 -2.233 8.083 0.139 1.00 0.00 C ATOM 447 C GLU A 827 -2.062 9.475 0.741 1.00 0.00 C ATOM 448 O GLU A 827 -2.697 9.813 1.740 1.00 0.00 O ATOM 449 CB GLU A 827 -1.274 7.101 0.816 1.00 0.00 C ATOM 450 CG GLU A 827 -1.762 5.663 0.796 1.00 0.00 C ATOM 451 CD GLU A 827 -0.949 4.759 1.703 1.00 0.00 C ATOM 452 OE1 GLU A 827 0.258 4.582 1.437 1.00 0.00 O ATOM 453 OE2 GLU A 827 -1.521 4.228 2.678 1.00 0.00 O ATOM 0 H GLU A 827 -1.469 7.313 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 827 -3.258 7.755 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -0.304 7.154 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -1.121 7.410 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.808 5.634 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -1.718 5.282 -0.224 1.00 0.00 H new ATOM 460 N ARG A 828 -1.199 10.277 0.126 1.00 0.00 N ATOM 461 CA ARG A 828 -0.943 11.631 0.601 1.00 0.00 C ATOM 462 C ARG A 828 -2.163 12.522 0.389 1.00 0.00 C ATOM 463 O ARG A 828 -2.518 13.324 1.254 1.00 0.00 O ATOM 464 CB ARG A 828 0.268 12.227 -0.120 1.00 0.00 C ATOM 465 CG ARG A 828 -0.061 12.803 -1.488 1.00 0.00 C ATOM 466 CD ARG A 828 1.177 13.370 -2.166 1.00 0.00 C ATOM 467 NE ARG A 828 1.499 14.711 -1.684 1.00 0.00 N ATOM 468 CZ ARG A 828 2.695 15.272 -1.818 1.00 0.00 C ATOM 469 NH1 ARG A 828 3.678 14.612 -2.415 1.00 0.00 N ATOM 470 NH2 ARG A 828 2.910 16.496 -1.354 1.00 0.00 N ATOM 0 H ARG A 828 -0.665 10.012 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.733 11.580 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 828 0.700 13.012 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 828 1.029 11.455 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.497 12.026 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.811 13.587 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 828 2.024 12.707 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 828 1.018 13.401 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 828 0.765 15.245 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 828 3.517 13.671 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.596 15.046 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.156 17.007 -0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.829 16.926 -1.457 1.00 0.00 H new ATOM 484 N THR A 829 -2.803 12.377 -0.767 1.00 0.00 N ATOM 485 CA THR A 829 -3.982 13.168 -1.094 1.00 0.00 C ATOM 486 C THR A 829 -4.932 13.255 0.095 1.00 0.00 C ATOM 487 O THR A 829 -5.749 14.172 0.184 1.00 0.00 O ATOM 488 CB THR A 829 -4.738 12.579 -2.299 1.00 0.00 C ATOM 489 OG1 THR A 829 -5.661 13.543 -2.817 1.00 0.00 O ATOM 490 CG2 THR A 829 -5.486 11.315 -1.903 1.00 0.00 C ATOM 0 H THR A 829 -2.524 11.718 -1.493 1.00 0.00 H new ATOM 0 HA THR A 829 -3.631 14.168 -1.349 1.00 0.00 H new ATOM 0 HB THR A 829 -4.009 12.325 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 829 -6.137 13.161 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 829 -6.013 10.917 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 829 -4.777 10.572 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 829 -6.205 11.549 -1.118 1.00 0.00 H new ATOM 498 N HIS A 830 -4.820 12.295 1.008 1.00 0.00 N ATOM 499 CA HIS A 830 -5.669 12.264 2.194 1.00 0.00 C ATOM 500 C HIS A 830 -5.046 13.070 3.330 1.00 0.00 C ATOM 501 O HIS A 830 -5.101 12.668 4.491 1.00 0.00 O ATOM 502 CB HIS A 830 -5.901 10.822 2.643 1.00 0.00 C ATOM 503 CG HIS A 830 -6.681 10.006 1.659 1.00 0.00 C ATOM 504 ND1 HIS A 830 -8.037 10.159 1.462 1.00 0.00 N ATOM 505 CD2 HIS A 830 -6.288 9.025 0.813 1.00 0.00 C ATOM 506 CE1 HIS A 830 -8.445 9.307 0.538 1.00 0.00 C ATOM 507 NE2 HIS A 830 -7.402 8.608 0.127 1.00 0.00 N ATOM 0 H HIS A 830 -4.150 11.528 0.949 1.00 0.00 H new ATOM 0 HA HIS A 830 -6.627 12.715 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 830 -4.937 10.344 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 830 -6.429 10.828 3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 830 -8.632 10.826 1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 830 -5.285 8.642 0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 830 -9.458 9.200 0.180 1.00 0.00 H new ATOM 515 N ALA A 831 -4.451 14.208 2.985 1.00 0.00 N ATOM 516 CA ALA A 831 -3.819 15.070 3.976 1.00 0.00 C ATOM 517 C ALA A 831 -4.368 16.490 3.898 1.00 0.00 C ATOM 518 O ALA A 831 -3.822 17.340 3.196 1.00 0.00 O ATOM 519 CB ALA A 831 -2.310 15.074 3.785 1.00 0.00 C ATOM 0 H ALA A 831 -4.394 14.554 2.027 1.00 0.00 H new ATOM 0 HA ALA A 831 -4.048 14.674 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 831 -1.850 15.722 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 831 -1.926 14.060 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 831 -2.070 15.443 2.788 1.00 0.00 H new ATOM 525 N GLY A 832 -5.453 16.741 4.625 1.00 0.00 N ATOM 526 CA GLY A 832 -6.058 18.060 4.624 1.00 0.00 C ATOM 527 C GLY A 832 -7.150 18.198 5.667 1.00 0.00 C ATOM 528 O GLY A 832 -6.875 18.200 6.867 1.00 0.00 O ATOM 0 H GLY A 832 -5.923 16.054 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 832 -5.288 18.810 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 832 -6.474 18.265 3.638 1.00 0.00 H new ATOM 532 N VAL A 833 -8.392 18.316 5.209 1.00 0.00 N ATOM 533 CA VAL A 833 -9.529 18.456 6.111 1.00 0.00 C ATOM 534 C VAL A 833 -10.467 17.259 6.004 1.00 0.00 C ATOM 535 O VAL A 833 -10.836 16.843 4.906 1.00 0.00 O ATOM 536 CB VAL A 833 -10.322 19.743 5.818 1.00 0.00 C ATOM 537 CG1 VAL A 833 -9.475 20.971 6.113 1.00 0.00 C ATOM 538 CG2 VAL A 833 -10.807 19.753 4.376 1.00 0.00 C ATOM 0 H VAL A 833 -8.636 18.317 4.219 1.00 0.00 H new ATOM 0 HA VAL A 833 -9.126 18.508 7.122 1.00 0.00 H new ATOM 0 HB VAL A 833 -11.195 19.768 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 833 -10.052 21.871 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -9.183 20.968 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -8.582 20.956 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 833 -11.366 20.670 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -9.950 19.704 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -11.453 18.892 4.203 1.00 0.00 H new ATOM 548 N SER A 834 -10.848 16.708 7.152 1.00 0.00 N ATOM 549 CA SER A 834 -11.741 15.555 7.187 1.00 0.00 C ATOM 550 C SER A 834 -12.883 15.783 8.172 1.00 0.00 C ATOM 551 O SER A 834 -12.717 16.456 9.189 1.00 0.00 O ATOM 552 CB SER A 834 -10.965 14.294 7.572 1.00 0.00 C ATOM 553 OG SER A 834 -10.646 14.293 8.953 1.00 0.00 O ATOM 0 H SER A 834 -10.553 17.041 8.070 1.00 0.00 H new ATOM 0 HA SER A 834 -12.164 15.423 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 834 -11.557 13.411 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 834 -10.049 14.233 6.984 1.00 0.00 H new ATOM 0 HG SER A 834 -10.152 13.476 9.174 1.00 0.00 H new ATOM 559 N GLY A 835 -14.046 15.217 7.862 1.00 0.00 N ATOM 560 CA GLY A 835 -15.200 15.369 8.729 1.00 0.00 C ATOM 561 C GLY A 835 -16.237 14.286 8.509 1.00 0.00 C ATOM 562 O GLY A 835 -16.474 13.440 9.371 1.00 0.00 O ATOM 0 H GLY A 835 -14.209 14.656 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 835 -14.874 15.350 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -15.655 16.344 8.555 1.00 0.00 H new ATOM 566 N PRO A 836 -16.877 14.304 7.330 1.00 0.00 N ATOM 567 CA PRO A 836 -17.905 13.323 6.973 1.00 0.00 C ATOM 568 C PRO A 836 -17.326 11.931 6.748 1.00 0.00 C ATOM 569 O PRO A 836 -18.046 10.998 6.391 1.00 0.00 O ATOM 570 CB PRO A 836 -18.486 13.877 5.669 1.00 0.00 C ATOM 571 CG PRO A 836 -17.391 14.702 5.087 1.00 0.00 C ATOM 572 CD PRO A 836 -16.644 15.283 6.255 1.00 0.00 C ATOM 0 HA PRO A 836 -18.642 13.199 7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 836 -18.778 13.073 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 836 -19.377 14.477 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 836 -16.733 14.094 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 836 -17.793 15.490 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 836 -15.582 15.395 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 836 -17.021 16.270 6.522 1.00 0.00 H new ATOM 580 N SER A 837 -16.020 11.797 6.960 1.00 0.00 N ATOM 581 CA SER A 837 -15.343 10.518 6.777 1.00 0.00 C ATOM 582 C SER A 837 -14.809 9.992 8.105 1.00 0.00 C ATOM 583 O SER A 837 -14.246 10.743 8.902 1.00 0.00 O ATOM 584 CB SER A 837 -14.197 10.663 5.774 1.00 0.00 C ATOM 585 OG SER A 837 -14.689 10.775 4.450 1.00 0.00 O ATOM 0 H SER A 837 -15.410 12.558 7.258 1.00 0.00 H new ATOM 0 HA SER A 837 -16.068 9.803 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 837 -13.603 11.543 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 837 -13.534 9.801 5.847 1.00 0.00 H new ATOM 0 HG SER A 837 -13.937 10.868 3.828 1.00 0.00 H new ATOM 591 N SER A 838 -14.989 8.695 8.336 1.00 0.00 N ATOM 592 CA SER A 838 -14.529 8.067 9.569 1.00 0.00 C ATOM 593 C SER A 838 -14.257 6.582 9.354 1.00 0.00 C ATOM 594 O SER A 838 -15.144 5.828 8.957 1.00 0.00 O ATOM 595 CB SER A 838 -15.567 8.251 10.678 1.00 0.00 C ATOM 596 OG SER A 838 -15.102 7.717 11.906 1.00 0.00 O ATOM 0 H SER A 838 -15.450 8.059 7.685 1.00 0.00 H new ATOM 0 HA SER A 838 -13.598 8.550 9.868 1.00 0.00 H new ATOM 0 HB2 SER A 838 -15.789 9.311 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 838 -16.498 7.761 10.394 1.00 0.00 H new ATOM 0 HG SER A 838 -15.783 7.849 12.599 1.00 0.00 H new ATOM 602 N GLY A 839 -13.021 6.169 9.618 1.00 0.00 N ATOM 603 CA GLY A 839 -12.652 4.775 9.448 1.00 0.00 C ATOM 604 C GLY A 839 -11.285 4.611 8.814 1.00 0.00 C ATOM 605 O GLY A 839 -11.173 4.187 7.664 1.00 0.00 O ATOM 0 H GLY A 839 -12.269 6.774 9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 839 -12.661 4.279 10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 839 -13.398 4.278 8.829 1.00 0.00 H new TER 609 GLY A 839 HETATM 610 ZN ZN A 201 -7.170 6.933 -0.871 1.00 0.00 ZN