USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 798 SER OG : rot 24:sc= 0.488 USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 SER OG : rot 180:sc= 0 USER MOD Single : A 803 SER OG : rot 180:sc= 0 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) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 821 SER OG : rot 180:sc= -0.103 USER MOD Single : A 829 THR OG1 : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 50:sc= 0.386 USER MOD Single : A 837 SER OG : rot 180:sc= 0 USER MOD Single : A 838 SER OG : rot 8:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 796 -28.048 -2.971 -12.045 1.00 0.00 N ATOM 2 CA GLY A 796 -26.802 -3.469 -12.596 1.00 0.00 C ATOM 3 C GLY A 796 -26.729 -4.983 -12.590 1.00 0.00 C ATOM 4 O GLY A 796 -27.308 -5.636 -11.721 1.00 0.00 O ATOM 0 HA2 GLY A 796 -26.690 -3.107 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 796 -25.968 -3.066 -12.022 1.00 0.00 H new ATOM 8 N SER A 797 -26.019 -5.544 -13.564 1.00 0.00 N ATOM 9 CA SER A 797 -25.878 -6.991 -13.671 1.00 0.00 C ATOM 10 C SER A 797 -24.406 -7.393 -13.704 1.00 0.00 C ATOM 11 O SER A 797 -23.795 -7.464 -14.770 1.00 0.00 O ATOM 12 CB SER A 797 -26.587 -7.503 -14.926 1.00 0.00 C ATOM 13 OG SER A 797 -27.991 -7.533 -14.742 1.00 0.00 O ATOM 0 H SER A 797 -25.533 -5.018 -14.290 1.00 0.00 H new ATOM 0 HA SER A 797 -26.340 -7.442 -12.793 1.00 0.00 H new ATOM 0 HB2 SER A 797 -26.342 -6.862 -15.773 1.00 0.00 H new ATOM 0 HB3 SER A 797 -26.227 -8.503 -15.168 1.00 0.00 H new ATOM 0 HG SER A 797 -28.421 -7.862 -15.559 1.00 0.00 H new ATOM 19 N SER A 798 -23.843 -7.654 -12.529 1.00 0.00 N ATOM 20 CA SER A 798 -22.443 -8.044 -12.422 1.00 0.00 C ATOM 21 C SER A 798 -22.313 -9.550 -12.211 1.00 0.00 C ATOM 22 O SER A 798 -22.844 -10.101 -11.249 1.00 0.00 O ATOM 23 CB SER A 798 -21.769 -7.297 -11.269 1.00 0.00 C ATOM 24 OG SER A 798 -22.340 -7.660 -10.024 1.00 0.00 O ATOM 0 H SER A 798 -24.336 -7.602 -11.637 1.00 0.00 H new ATOM 0 HA SER A 798 -21.946 -7.780 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 798 -20.702 -7.519 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 798 -21.870 -6.222 -11.419 1.00 0.00 H new ATOM 0 HG SER A 798 -22.746 -8.549 -10.097 1.00 0.00 H new ATOM 30 N GLY A 799 -21.602 -10.209 -13.121 1.00 0.00 N ATOM 31 CA GLY A 799 -21.414 -11.645 -13.018 1.00 0.00 C ATOM 32 C GLY A 799 -19.986 -12.020 -12.676 1.00 0.00 C ATOM 33 O GLY A 799 -19.720 -12.562 -11.604 1.00 0.00 O ATOM 0 H GLY A 799 -21.153 -9.775 -13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -22.083 -12.042 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -21.693 -12.113 -13.962 1.00 0.00 H new ATOM 37 N SER A 800 -19.065 -11.732 -13.591 1.00 0.00 N ATOM 38 CA SER A 800 -17.657 -12.048 -13.382 1.00 0.00 C ATOM 39 C SER A 800 -16.780 -11.312 -14.391 1.00 0.00 C ATOM 40 O SER A 800 -17.075 -11.288 -15.586 1.00 0.00 O ATOM 41 CB SER A 800 -17.428 -13.557 -13.497 1.00 0.00 C ATOM 42 OG SER A 800 -17.425 -13.970 -14.852 1.00 0.00 O ATOM 0 H SER A 800 -19.269 -11.281 -14.483 1.00 0.00 H new ATOM 0 HA SER A 800 -17.382 -11.721 -12.379 1.00 0.00 H new ATOM 0 HB2 SER A 800 -16.478 -13.821 -13.031 1.00 0.00 H new ATOM 0 HB3 SER A 800 -18.208 -14.089 -12.953 1.00 0.00 H new ATOM 0 HG SER A 800 -17.275 -14.937 -14.899 1.00 0.00 H new ATOM 48 N SER A 801 -15.701 -10.711 -13.900 1.00 0.00 N ATOM 49 CA SER A 801 -14.782 -9.970 -14.756 1.00 0.00 C ATOM 50 C SER A 801 -13.371 -9.982 -14.177 1.00 0.00 C ATOM 51 O SER A 801 -13.185 -9.905 -12.963 1.00 0.00 O ATOM 52 CB SER A 801 -15.263 -8.528 -14.928 1.00 0.00 C ATOM 53 OG SER A 801 -15.352 -7.867 -13.678 1.00 0.00 O ATOM 0 H SER A 801 -15.442 -10.723 -12.914 1.00 0.00 H new ATOM 0 HA SER A 801 -14.760 -10.457 -15.731 1.00 0.00 H new ATOM 0 HB2 SER A 801 -14.577 -7.988 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 801 -16.238 -8.522 -15.416 1.00 0.00 H new ATOM 0 HG SER A 801 -15.660 -6.947 -13.816 1.00 0.00 H new ATOM 59 N GLY A 802 -12.378 -10.078 -15.056 1.00 0.00 N ATOM 60 CA GLY A 802 -10.996 -10.098 -14.615 1.00 0.00 C ATOM 61 C GLY A 802 -10.617 -11.409 -13.955 1.00 0.00 C ATOM 62 O GLY A 802 -11.482 -12.224 -13.637 1.00 0.00 O ATOM 0 H GLY A 802 -12.506 -10.142 -16.066 1.00 0.00 H new ATOM 0 HA2 GLY A 802 -10.343 -9.923 -15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 802 -10.830 -9.280 -13.914 1.00 0.00 H new ATOM 66 N SER A 803 -9.319 -11.614 -13.752 1.00 0.00 N ATOM 67 CA SER A 803 -8.827 -12.839 -13.131 1.00 0.00 C ATOM 68 C SER A 803 -8.001 -12.523 -11.887 1.00 0.00 C ATOM 69 O SER A 803 -8.228 -13.088 -10.818 1.00 0.00 O ATOM 70 CB SER A 803 -7.985 -13.637 -14.127 1.00 0.00 C ATOM 71 OG SER A 803 -7.629 -14.902 -13.596 1.00 0.00 O ATOM 0 H SER A 803 -8.590 -10.948 -14.008 1.00 0.00 H new ATOM 0 HA SER A 803 -9.688 -13.437 -12.832 1.00 0.00 H new ATOM 0 HB2 SER A 803 -8.543 -13.772 -15.054 1.00 0.00 H new ATOM 0 HB3 SER A 803 -7.084 -13.077 -14.377 1.00 0.00 H new ATOM 0 HG SER A 803 -7.092 -15.393 -14.253 1.00 0.00 H new ATOM 77 N GLY A 804 -7.040 -11.616 -12.037 1.00 0.00 N ATOM 78 CA GLY A 804 -6.195 -11.241 -10.919 1.00 0.00 C ATOM 79 C GLY A 804 -6.761 -10.078 -10.128 1.00 0.00 C ATOM 80 O GLY A 804 -7.893 -9.656 -10.359 1.00 0.00 O ATOM 0 H GLY A 804 -6.832 -11.135 -12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -6.070 -12.099 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -5.204 -10.977 -11.289 1.00 0.00 H new ATOM 84 N GLU A 805 -5.971 -9.560 -9.193 1.00 0.00 N ATOM 85 CA GLU A 805 -6.402 -8.441 -8.364 1.00 0.00 C ATOM 86 C GLU A 805 -5.227 -7.527 -8.029 1.00 0.00 C ATOM 87 O GLU A 805 -4.087 -7.979 -7.916 1.00 0.00 O ATOM 88 CB GLU A 805 -7.049 -8.951 -7.075 1.00 0.00 C ATOM 89 CG GLU A 805 -6.116 -9.788 -6.216 1.00 0.00 C ATOM 90 CD GLU A 805 -6.800 -10.342 -4.981 1.00 0.00 C ATOM 91 OE1 GLU A 805 -7.587 -11.302 -5.121 1.00 0.00 O ATOM 92 OE2 GLU A 805 -6.550 -9.817 -3.877 1.00 0.00 O ATOM 0 H GLU A 805 -5.030 -9.897 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 805 -7.137 -7.867 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -7.399 -8.099 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -7.926 -9.546 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -5.723 -10.613 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -5.264 -9.180 -5.913 1.00 0.00 H new ATOM 99 N LYS A 806 -5.512 -6.239 -7.872 1.00 0.00 N ATOM 100 CA LYS A 806 -4.481 -5.260 -7.549 1.00 0.00 C ATOM 101 C LYS A 806 -3.793 -5.609 -6.233 1.00 0.00 C ATOM 102 O LYS A 806 -4.438 -5.898 -5.225 1.00 0.00 O ATOM 103 CB LYS A 806 -5.089 -3.858 -7.463 1.00 0.00 C ATOM 104 CG LYS A 806 -5.854 -3.449 -8.710 1.00 0.00 C ATOM 105 CD LYS A 806 -4.926 -3.273 -9.900 1.00 0.00 C ATOM 106 CE LYS A 806 -5.675 -2.756 -11.119 1.00 0.00 C ATOM 107 NZ LYS A 806 -6.389 -3.849 -11.836 1.00 0.00 N ATOM 0 H LYS A 806 -6.450 -5.848 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 806 -3.736 -5.278 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 806 -5.760 -3.814 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 806 -4.292 -3.136 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 806 -6.605 -4.204 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 806 -6.387 -2.517 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 806 -4.127 -2.578 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 806 -4.454 -4.226 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 806 -6.392 -1.996 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 806 -4.973 -2.274 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 806 -6.887 -3.456 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 806 -5.702 -4.562 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 806 -7.077 -4.293 -11.195 1.00 0.00 H new ATOM 121 N PRO A 807 -2.452 -5.580 -6.240 1.00 0.00 N ATOM 122 CA PRO A 807 -1.647 -5.888 -5.054 1.00 0.00 C ATOM 123 C PRO A 807 -1.763 -4.812 -3.980 1.00 0.00 C ATOM 124 O PRO A 807 -1.660 -5.099 -2.787 1.00 0.00 O ATOM 125 CB PRO A 807 -0.218 -5.947 -5.600 1.00 0.00 C ATOM 126 CG PRO A 807 -0.243 -5.089 -6.818 1.00 0.00 C ATOM 127 CD PRO A 807 -1.618 -5.243 -7.406 1.00 0.00 C ATOM 0 HA PRO A 807 -1.971 -6.809 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 807 0.501 -5.576 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 807 0.072 -6.970 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 807 -0.041 -4.048 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 807 0.522 -5.399 -7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 807 -1.954 -4.325 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 807 -1.646 -6.029 -8.161 1.00 0.00 H new ATOM 135 N TYR A 808 -1.977 -3.574 -4.410 1.00 0.00 N ATOM 136 CA TYR A 808 -2.104 -2.455 -3.484 1.00 0.00 C ATOM 137 C TYR A 808 -3.506 -1.856 -3.543 1.00 0.00 C ATOM 138 O TYR A 808 -4.106 -1.758 -4.613 1.00 0.00 O ATOM 139 CB TYR A 808 -1.064 -1.380 -3.805 1.00 0.00 C ATOM 140 CG TYR A 808 0.314 -1.935 -4.083 1.00 0.00 C ATOM 141 CD1 TYR A 808 1.177 -2.257 -3.042 1.00 0.00 C ATOM 142 CD2 TYR A 808 0.754 -2.136 -5.385 1.00 0.00 C ATOM 143 CE1 TYR A 808 2.438 -2.764 -3.291 1.00 0.00 C ATOM 144 CE2 TYR A 808 2.013 -2.644 -5.643 1.00 0.00 C ATOM 145 CZ TYR A 808 2.851 -2.956 -4.593 1.00 0.00 C ATOM 146 OH TYR A 808 4.106 -3.460 -4.846 1.00 0.00 O ATOM 0 H TYR A 808 -2.066 -3.320 -5.394 1.00 0.00 H new ATOM 0 HA TYR A 808 -1.930 -2.829 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 808 -1.399 -0.810 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 808 -1.004 -0.683 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 808 0.857 -2.108 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 808 0.101 -1.891 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 808 3.097 -3.009 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 808 2.339 -2.796 -6.661 1.00 0.00 H new ATOM 0 HH TYR A 808 4.239 -3.535 -5.814 1.00 0.00 H new ATOM 156 N GLU A 809 -4.021 -1.455 -2.385 1.00 0.00 N ATOM 157 CA GLU A 809 -5.352 -0.865 -2.304 1.00 0.00 C ATOM 158 C GLU A 809 -5.452 0.093 -1.121 1.00 0.00 C ATOM 159 O GLU A 809 -5.486 -0.332 0.035 1.00 0.00 O ATOM 160 CB GLU A 809 -6.413 -1.961 -2.179 1.00 0.00 C ATOM 161 CG GLU A 809 -7.751 -1.586 -2.793 1.00 0.00 C ATOM 162 CD GLU A 809 -8.676 -2.778 -2.948 1.00 0.00 C ATOM 163 OE1 GLU A 809 -8.592 -3.464 -3.988 1.00 0.00 O ATOM 164 OE2 GLU A 809 -9.484 -3.024 -2.028 1.00 0.00 O ATOM 0 H GLU A 809 -3.537 -1.528 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 809 -5.528 -0.302 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 809 -6.044 -2.868 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 809 -6.559 -2.195 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 809 -8.235 -0.834 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 809 -7.584 -1.131 -3.769 1.00 0.00 H new ATOM 171 N CYS A 810 -5.499 1.387 -1.417 1.00 0.00 N ATOM 172 CA CYS A 810 -5.594 2.407 -0.379 1.00 0.00 C ATOM 173 C CYS A 810 -6.453 1.920 0.784 1.00 0.00 C ATOM 174 O CYS A 810 -7.337 1.083 0.609 1.00 0.00 O ATOM 175 CB CYS A 810 -6.180 3.697 -0.956 1.00 0.00 C ATOM 176 SG CYS A 810 -5.993 5.148 0.130 1.00 0.00 S ATOM 0 H CYS A 810 -5.473 1.755 -2.368 1.00 0.00 H new ATOM 0 HA CYS A 810 -4.589 2.607 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 810 -5.699 3.907 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 810 -7.240 3.543 -1.160 1.00 0.00 H new ATOM 181 N ASN A 811 -6.186 2.452 1.973 1.00 0.00 N ATOM 182 CA ASN A 811 -6.934 2.072 3.166 1.00 0.00 C ATOM 183 C ASN A 811 -7.940 3.155 3.544 1.00 0.00 C ATOM 184 O ASN A 811 -9.038 2.858 4.013 1.00 0.00 O ATOM 185 CB ASN A 811 -5.978 1.818 4.333 1.00 0.00 C ATOM 186 CG ASN A 811 -6.609 0.972 5.423 1.00 0.00 C ATOM 187 OD1 ASN A 811 -7.197 1.497 6.368 1.00 0.00 O ATOM 188 ND2 ASN A 811 -6.488 -0.344 5.295 1.00 0.00 N ATOM 0 H ASN A 811 -5.458 3.147 2.136 1.00 0.00 H new ATOM 0 HA ASN A 811 -7.480 1.154 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -5.082 1.320 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.662 2.772 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -6.891 -0.964 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.992 -0.735 4.494 1.00 0.00 H new ATOM 195 N GLU A 812 -7.556 4.411 3.337 1.00 0.00 N ATOM 196 CA GLU A 812 -8.425 5.537 3.657 1.00 0.00 C ATOM 197 C GLU A 812 -9.740 5.446 2.888 1.00 0.00 C ATOM 198 O GLU A 812 -10.820 5.461 3.479 1.00 0.00 O ATOM 199 CB GLU A 812 -7.724 6.859 3.335 1.00 0.00 C ATOM 200 CG GLU A 812 -8.345 8.061 4.025 1.00 0.00 C ATOM 201 CD GLU A 812 -7.847 8.240 5.446 1.00 0.00 C ATOM 202 OE1 GLU A 812 -7.403 7.240 6.048 1.00 0.00 O ATOM 203 OE2 GLU A 812 -7.902 9.378 5.956 1.00 0.00 O ATOM 0 H GLU A 812 -6.650 4.674 2.950 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.645 5.501 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -6.676 6.785 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -7.745 7.019 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -8.123 8.960 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -9.429 7.949 4.035 1.00 0.00 H new ATOM 210 N CYS A 813 -9.640 5.352 1.567 1.00 0.00 N ATOM 211 CA CYS A 813 -10.820 5.259 0.715 1.00 0.00 C ATOM 212 C CYS A 813 -10.999 3.839 0.187 1.00 0.00 C ATOM 213 O CYS A 813 -12.086 3.268 0.265 1.00 0.00 O ATOM 214 CB CYS A 813 -10.709 6.240 -0.454 1.00 0.00 C ATOM 215 SG CYS A 813 -9.188 6.053 -1.440 1.00 0.00 S ATOM 0 H CYS A 813 -8.754 5.338 1.062 1.00 0.00 H new ATOM 0 HA CYS A 813 -11.692 5.517 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 813 -11.571 6.109 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 813 -10.755 7.258 -0.066 1.00 0.00 H new ATOM 220 N GLY A 814 -9.923 3.273 -0.352 1.00 0.00 N ATOM 221 CA GLY A 814 -9.982 1.925 -0.885 1.00 0.00 C ATOM 222 C GLY A 814 -9.573 1.860 -2.344 1.00 0.00 C ATOM 223 O GLY A 814 -9.807 0.856 -3.018 1.00 0.00 O ATOM 0 H GLY A 814 -9.012 3.725 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -9.330 1.277 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -10.996 1.539 -0.777 1.00 0.00 H new ATOM 227 N LYS A 815 -8.961 2.932 -2.833 1.00 0.00 N ATOM 228 CA LYS A 815 -8.518 2.995 -4.221 1.00 0.00 C ATOM 229 C LYS A 815 -7.672 1.777 -4.577 1.00 0.00 C ATOM 230 O LYS A 815 -7.224 1.042 -3.698 1.00 0.00 O ATOM 231 CB LYS A 815 -7.717 4.275 -4.466 1.00 0.00 C ATOM 232 CG LYS A 815 -8.584 5.495 -4.726 1.00 0.00 C ATOM 233 CD LYS A 815 -8.992 5.588 -6.186 1.00 0.00 C ATOM 234 CE LYS A 815 -7.846 6.084 -7.055 1.00 0.00 C ATOM 235 NZ LYS A 815 -8.183 6.024 -8.504 1.00 0.00 N ATOM 0 H LYS A 815 -8.760 3.771 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.402 3.001 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.083 4.468 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.055 4.122 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.475 5.449 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.041 6.396 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -9.318 4.609 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -9.843 6.262 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -7.600 7.110 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -6.958 5.482 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -7.377 6.370 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -8.393 5.041 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -9.015 6.619 -8.692 1.00 0.00 H new ATOM 249 N ALA A 816 -7.455 1.571 -5.872 1.00 0.00 N ATOM 250 CA ALA A 816 -6.659 0.444 -6.344 1.00 0.00 C ATOM 251 C ALA A 816 -5.575 0.905 -7.312 1.00 0.00 C ATOM 252 O ALA A 816 -5.804 1.785 -8.142 1.00 0.00 O ATOM 253 CB ALA A 816 -7.553 -0.594 -7.004 1.00 0.00 C ATOM 0 H ALA A 816 -7.819 2.170 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 816 -6.170 -0.010 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 816 -6.945 -1.429 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 816 -8.286 -0.954 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 816 -8.069 -0.143 -7.852 1.00 0.00 H new ATOM 259 N PHE A 817 -4.395 0.306 -7.201 1.00 0.00 N ATOM 260 CA PHE A 817 -3.274 0.656 -8.066 1.00 0.00 C ATOM 261 C PHE A 817 -2.400 -0.563 -8.344 1.00 0.00 C ATOM 262 O PHE A 817 -2.163 -1.385 -7.459 1.00 0.00 O ATOM 263 CB PHE A 817 -2.436 1.765 -7.427 1.00 0.00 C ATOM 264 CG PHE A 817 -3.259 2.856 -6.805 1.00 0.00 C ATOM 265 CD1 PHE A 817 -3.752 2.722 -5.517 1.00 0.00 C ATOM 266 CD2 PHE A 817 -3.540 4.017 -7.509 1.00 0.00 C ATOM 267 CE1 PHE A 817 -4.510 3.725 -4.942 1.00 0.00 C ATOM 268 CE2 PHE A 817 -4.297 5.023 -6.938 1.00 0.00 C ATOM 269 CZ PHE A 817 -4.783 4.876 -5.654 1.00 0.00 C ATOM 0 H PHE A 817 -4.189 -0.425 -6.520 1.00 0.00 H new ATOM 0 HA PHE A 817 -3.677 1.015 -9.013 1.00 0.00 H new ATOM 0 HB2 PHE A 817 -1.791 1.328 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 817 -1.785 2.200 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 817 -3.542 1.824 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 817 -3.163 4.137 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 817 -4.888 3.608 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 817 -4.508 5.923 -7.496 1.00 0.00 H new ATOM 0 HZ PHE A 817 -5.376 5.660 -5.207 1.00 0.00 H new ATOM 279 N ILE A 818 -1.923 -0.672 -9.580 1.00 0.00 N ATOM 280 CA ILE A 818 -1.074 -1.789 -9.975 1.00 0.00 C ATOM 281 C ILE A 818 0.356 -1.592 -9.486 1.00 0.00 C ATOM 282 O ILE A 818 1.106 -2.556 -9.325 1.00 0.00 O ATOM 283 CB ILE A 818 -1.061 -1.973 -11.504 1.00 0.00 C ATOM 284 CG1 ILE A 818 -0.618 -0.680 -12.191 1.00 0.00 C ATOM 285 CG2 ILE A 818 -2.436 -2.397 -11.998 1.00 0.00 C ATOM 286 CD1 ILE A 818 0.017 -0.903 -13.546 1.00 0.00 C ATOM 0 H ILE A 818 -2.110 -0.000 -10.325 1.00 0.00 H new ATOM 0 HA ILE A 818 -1.493 -2.683 -9.513 1.00 0.00 H new ATOM 0 HB ILE A 818 -0.348 -2.758 -11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 818 -1.482 -0.025 -12.307 1.00 0.00 H new ATOM 0 HG13 ILE A 818 0.092 -0.161 -11.547 1.00 0.00 H new ATOM 0 HG21 ILE A 818 -2.411 -2.523 -13.080 1.00 0.00 H new ATOM 0 HG22 ILE A 818 -2.716 -3.340 -11.529 1.00 0.00 H new ATOM 0 HG23 ILE A 818 -3.168 -1.632 -11.739 1.00 0.00 H new ATOM 0 HD11 ILE A 818 0.306 0.057 -13.975 1.00 0.00 H new ATOM 0 HD12 ILE A 818 0.900 -1.532 -13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 818 -0.698 -1.394 -14.206 1.00 0.00 H new ATOM 298 N TRP A 819 0.728 -0.340 -9.248 1.00 0.00 N ATOM 299 CA TRP A 819 2.069 -0.017 -8.775 1.00 0.00 C ATOM 300 C TRP A 819 2.023 0.573 -7.370 1.00 0.00 C ATOM 301 O TRP A 819 1.097 1.307 -7.023 1.00 0.00 O ATOM 302 CB TRP A 819 2.747 0.966 -9.732 1.00 0.00 C ATOM 303 CG TRP A 819 3.419 0.296 -10.892 1.00 0.00 C ATOM 304 CD1 TRP A 819 2.969 -0.791 -11.584 1.00 0.00 C ATOM 305 CD2 TRP A 819 4.663 0.671 -11.494 1.00 0.00 C ATOM 306 NE1 TRP A 819 3.858 -1.116 -12.580 1.00 0.00 N ATOM 307 CE2 TRP A 819 4.905 -0.234 -12.546 1.00 0.00 C ATOM 308 CE3 TRP A 819 5.595 1.683 -11.248 1.00 0.00 C ATOM 309 CZ2 TRP A 819 6.041 -0.155 -13.348 1.00 0.00 C ATOM 310 CZ3 TRP A 819 6.721 1.759 -12.045 1.00 0.00 C ATOM 311 CH2 TRP A 819 6.936 0.846 -13.085 1.00 0.00 C ATOM 0 H TRP A 819 0.120 0.469 -9.375 1.00 0.00 H new ATOM 0 HA TRP A 819 2.648 -0.940 -8.743 1.00 0.00 H new ATOM 0 HB2 TRP A 819 2.003 1.668 -10.108 1.00 0.00 H new ATOM 0 HB3 TRP A 819 3.485 1.549 -9.181 1.00 0.00 H new ATOM 0 HD1 TRP A 819 2.049 -1.318 -11.379 1.00 0.00 H new ATOM 0 HE1 TRP A 819 3.755 -1.889 -13.238 1.00 0.00 H new ATOM 0 HE3 TRP A 819 5.438 2.393 -10.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 6.210 -0.859 -14.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 7.448 2.536 -11.863 1.00 0.00 H new ATOM 0 HH2 TRP A 819 7.826 0.934 -13.691 1.00 0.00 H new ATOM 322 N LYS A 820 3.027 0.248 -6.563 1.00 0.00 N ATOM 323 CA LYS A 820 3.103 0.746 -5.195 1.00 0.00 C ATOM 324 C LYS A 820 3.218 2.267 -5.176 1.00 0.00 C ATOM 325 O LYS A 820 2.407 2.953 -4.554 1.00 0.00 O ATOM 326 CB LYS A 820 4.298 0.124 -4.469 1.00 0.00 C ATOM 327 CG LYS A 820 4.534 0.699 -3.083 1.00 0.00 C ATOM 328 CD LYS A 820 3.391 0.365 -2.139 1.00 0.00 C ATOM 329 CE LYS A 820 3.435 1.223 -0.884 1.00 0.00 C ATOM 330 NZ LYS A 820 4.435 0.719 0.098 1.00 0.00 N ATOM 0 H LYS A 820 3.801 -0.359 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 820 2.185 0.462 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 820 4.142 -0.952 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 820 5.195 0.270 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 820 5.467 0.306 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 820 4.646 1.781 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 820 2.440 0.515 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 820 3.442 -0.688 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 820 3.678 2.250 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 820 2.448 1.240 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 4.434 1.331 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 4.189 -0.252 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 5.381 0.726 -0.335 1.00 0.00 H new ATOM 344 N SER A 821 4.231 2.788 -5.862 1.00 0.00 N ATOM 345 CA SER A 821 4.453 4.228 -5.921 1.00 0.00 C ATOM 346 C SER A 821 3.132 4.976 -6.072 1.00 0.00 C ATOM 347 O SER A 821 2.843 5.908 -5.319 1.00 0.00 O ATOM 348 CB SER A 821 5.384 4.574 -7.085 1.00 0.00 C ATOM 349 OG SER A 821 4.847 4.127 -8.318 1.00 0.00 O ATOM 0 H SER A 821 4.910 2.235 -6.384 1.00 0.00 H new ATOM 0 HA SER A 821 4.921 4.537 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 821 5.540 5.652 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 821 6.360 4.116 -6.923 1.00 0.00 H new ATOM 0 HG SER A 821 5.460 4.362 -9.046 1.00 0.00 H new ATOM 355 N LEU A 822 2.334 4.562 -7.049 1.00 0.00 N ATOM 356 CA LEU A 822 1.042 5.192 -7.300 1.00 0.00 C ATOM 357 C LEU A 822 0.235 5.312 -6.012 1.00 0.00 C ATOM 358 O LEU A 822 -0.413 6.330 -5.765 1.00 0.00 O ATOM 359 CB LEU A 822 0.254 4.389 -8.336 1.00 0.00 C ATOM 360 CG LEU A 822 0.961 4.135 -9.668 1.00 0.00 C ATOM 361 CD1 LEU A 822 0.086 3.293 -10.585 1.00 0.00 C ATOM 362 CD2 LEU A 822 1.326 5.452 -10.338 1.00 0.00 C ATOM 0 H LEU A 822 2.558 3.793 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 822 1.224 6.194 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 822 -0.008 3.426 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 822 -0.681 4.912 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 822 1.880 3.584 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 822 0.606 3.123 -11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 822 -0.125 2.336 -10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 822 -0.850 3.817 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 822 1.828 5.252 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 822 0.420 6.029 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 822 1.991 6.019 -9.687 1.00 0.00 H new ATOM 374 N LEU A 823 0.280 4.267 -5.192 1.00 0.00 N ATOM 375 CA LEU A 823 -0.446 4.256 -3.927 1.00 0.00 C ATOM 376 C LEU A 823 0.150 5.263 -2.948 1.00 0.00 C ATOM 377 O LEU A 823 -0.563 5.845 -2.131 1.00 0.00 O ATOM 378 CB LEU A 823 -0.419 2.854 -3.313 1.00 0.00 C ATOM 379 CG LEU A 823 -0.899 2.746 -1.866 1.00 0.00 C ATOM 380 CD1 LEU A 823 -2.414 2.855 -1.797 1.00 0.00 C ATOM 381 CD2 LEU A 823 -0.428 1.439 -1.244 1.00 0.00 C ATOM 0 H LEU A 823 0.811 3.417 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 823 -1.479 4.539 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -1.034 2.198 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 823 0.602 2.476 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 823 -0.469 3.571 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -2.738 2.776 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -2.728 3.816 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -2.864 2.051 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -0.779 1.379 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -0.829 0.600 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 823 0.661 1.401 -1.259 1.00 0.00 H new ATOM 393 N ILE A 824 1.461 5.464 -3.039 1.00 0.00 N ATOM 394 CA ILE A 824 2.151 6.403 -2.164 1.00 0.00 C ATOM 395 C ILE A 824 1.776 7.843 -2.498 1.00 0.00 C ATOM 396 O ILE A 824 1.458 8.635 -1.610 1.00 0.00 O ATOM 397 CB ILE A 824 3.680 6.247 -2.265 1.00 0.00 C ATOM 398 CG1 ILE A 824 4.096 4.827 -1.874 1.00 0.00 C ATOM 399 CG2 ILE A 824 4.377 7.271 -1.382 1.00 0.00 C ATOM 400 CD1 ILE A 824 5.508 4.476 -2.288 1.00 0.00 C ATOM 0 H ILE A 824 2.066 4.989 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 824 1.837 6.175 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 824 3.981 6.423 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 824 4.004 4.715 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 824 3.405 4.117 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 824 5.457 7.148 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 824 4.101 8.276 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 824 4.073 7.124 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 824 5.735 3.456 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 824 5.600 4.556 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 824 6.208 5.163 -1.813 1.00 0.00 H new ATOM 412 N VAL A 825 1.812 8.176 -3.784 1.00 0.00 N ATOM 413 CA VAL A 825 1.473 9.520 -4.236 1.00 0.00 C ATOM 414 C VAL A 825 0.003 9.832 -3.977 1.00 0.00 C ATOM 415 O VAL A 825 -0.404 10.994 -3.973 1.00 0.00 O ATOM 416 CB VAL A 825 1.767 9.698 -5.737 1.00 0.00 C ATOM 417 CG1 VAL A 825 1.573 11.149 -6.151 1.00 0.00 C ATOM 418 CG2 VAL A 825 3.177 9.227 -6.063 1.00 0.00 C ATOM 0 H VAL A 825 2.073 7.533 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 825 2.094 10.212 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 825 1.064 9.086 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 825 1.785 11.255 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 825 0.544 11.449 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 825 2.251 11.784 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 825 3.368 9.360 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 825 3.897 9.811 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 825 3.277 8.173 -5.805 1.00 0.00 H new ATOM 428 N HIS A 826 -0.789 8.786 -3.761 1.00 0.00 N ATOM 429 CA HIS A 826 -2.215 8.949 -3.499 1.00 0.00 C ATOM 430 C HIS A 826 -2.486 9.036 -2.000 1.00 0.00 C ATOM 431 O HIS A 826 -3.211 9.918 -1.542 1.00 0.00 O ATOM 432 CB HIS A 826 -3.001 7.786 -4.104 1.00 0.00 C ATOM 433 CG HIS A 826 -4.427 7.726 -3.649 1.00 0.00 C ATOM 434 ND1 HIS A 826 -5.465 8.304 -4.347 1.00 0.00 N ATOM 435 CD2 HIS A 826 -4.984 7.149 -2.558 1.00 0.00 C ATOM 436 CE1 HIS A 826 -6.599 8.087 -3.706 1.00 0.00 C ATOM 437 NE2 HIS A 826 -6.335 7.388 -2.617 1.00 0.00 N ATOM 0 H HIS A 826 -0.468 7.818 -3.762 1.00 0.00 H new ATOM 0 HA HIS A 826 -2.541 9.880 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 826 -2.978 7.869 -5.191 1.00 0.00 H new ATOM 0 HB3 HIS A 826 -2.506 6.850 -3.845 1.00 0.00 H new ATOM 0 HD1 HIS A 826 -5.372 8.819 -5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 826 -4.463 6.603 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 826 -7.576 8.424 -4.019 1.00 0.00 H new ATOM 445 N GLU A 827 -1.898 8.115 -1.243 1.00 0.00 N ATOM 446 CA GLU A 827 -2.078 8.088 0.204 1.00 0.00 C ATOM 447 C GLU A 827 -1.947 9.489 0.795 1.00 0.00 C ATOM 448 O GLU A 827 -2.573 9.809 1.806 1.00 0.00 O ATOM 449 CB GLU A 827 -1.055 7.153 0.851 1.00 0.00 C ATOM 450 CG GLU A 827 -1.494 5.698 0.881 1.00 0.00 C ATOM 451 CD GLU A 827 -0.632 4.848 1.795 1.00 0.00 C ATOM 452 OE1 GLU A 827 0.596 4.798 1.576 1.00 0.00 O ATOM 453 OE2 GLU A 827 -1.187 4.233 2.729 1.00 0.00 O ATOM 0 H GLU A 827 -1.294 7.378 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 827 -3.081 7.716 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -0.112 7.228 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -0.864 7.487 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.532 5.642 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -1.458 5.290 -0.129 1.00 0.00 H new ATOM 460 N ARG A 828 -1.129 10.320 0.157 1.00 0.00 N ATOM 461 CA ARG A 828 -0.914 11.686 0.619 1.00 0.00 C ATOM 462 C ARG A 828 -2.093 12.579 0.243 1.00 0.00 C ATOM 463 O ARG A 828 -2.505 13.442 1.019 1.00 0.00 O ATOM 464 CB ARG A 828 0.377 12.251 0.025 1.00 0.00 C ATOM 465 CG ARG A 828 0.215 12.784 -1.389 1.00 0.00 C ATOM 466 CD ARG A 828 1.552 13.190 -1.989 1.00 0.00 C ATOM 467 NE ARG A 828 1.931 14.548 -1.611 1.00 0.00 N ATOM 468 CZ ARG A 828 3.187 14.980 -1.585 1.00 0.00 C ATOM 469 NH1 ARG A 828 4.179 14.165 -1.914 1.00 0.00 N ATOM 470 NH2 ARG A 828 3.453 16.231 -1.231 1.00 0.00 N ATOM 0 H ARG A 828 -0.604 10.071 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.827 11.666 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 828 0.742 13.053 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 828 1.139 11.471 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.249 12.022 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.457 13.642 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 828 2.323 12.494 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 828 1.499 13.117 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 828 1.191 15.201 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 828 3.979 13.203 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 828 5.142 14.500 -1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.693 16.862 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.418 16.561 -1.211 1.00 0.00 H new ATOM 484 N THR A 829 -2.632 12.366 -0.953 1.00 0.00 N ATOM 485 CA THR A 829 -3.762 13.152 -1.433 1.00 0.00 C ATOM 486 C THR A 829 -4.781 13.384 -0.323 1.00 0.00 C ATOM 487 O THR A 829 -5.442 14.423 -0.281 1.00 0.00 O ATOM 488 CB THR A 829 -4.461 12.465 -2.621 1.00 0.00 C ATOM 489 OG1 THR A 829 -5.133 13.440 -3.425 1.00 0.00 O ATOM 490 CG2 THR A 829 -5.460 11.426 -2.133 1.00 0.00 C ATOM 0 H THR A 829 -2.304 11.656 -1.607 1.00 0.00 H new ATOM 0 HA THR A 829 -3.362 14.111 -1.762 1.00 0.00 H new ATOM 0 HB THR A 829 -3.702 11.963 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 829 -5.573 12.995 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 829 -5.941 10.954 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 829 -4.940 10.669 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 829 -6.215 11.910 -1.514 1.00 0.00 H new ATOM 498 N HIS A 830 -4.904 12.412 0.574 1.00 0.00 N ATOM 499 CA HIS A 830 -5.842 12.511 1.686 1.00 0.00 C ATOM 500 C HIS A 830 -5.380 13.557 2.696 1.00 0.00 C ATOM 501 O HIS A 830 -6.151 14.426 3.102 1.00 0.00 O ATOM 502 CB HIS A 830 -5.997 11.154 2.374 1.00 0.00 C ATOM 503 CG HIS A 830 -6.806 10.172 1.585 1.00 0.00 C ATOM 504 ND1 HIS A 830 -8.151 10.338 1.330 1.00 0.00 N ATOM 505 CD2 HIS A 830 -6.453 9.007 0.993 1.00 0.00 C ATOM 506 CE1 HIS A 830 -8.591 9.317 0.616 1.00 0.00 C ATOM 507 NE2 HIS A 830 -7.580 8.495 0.397 1.00 0.00 N ATOM 0 H HIS A 830 -4.366 11.546 0.553 1.00 0.00 H new ATOM 0 HA HIS A 830 -6.808 12.819 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 830 -5.008 10.734 2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 830 -6.466 11.301 3.347 1.00 0.00 H new ATOM 0 HD1 HIS A 830 -8.718 11.126 1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 830 -5.469 8.563 0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 830 -9.605 9.178 0.270 1.00 0.00 H new ATOM 515 N ALA A 831 -4.116 13.466 3.099 1.00 0.00 N ATOM 516 CA ALA A 831 -3.551 14.404 4.060 1.00 0.00 C ATOM 517 C ALA A 831 -4.064 15.819 3.812 1.00 0.00 C ATOM 518 O ALA A 831 -3.643 16.486 2.868 1.00 0.00 O ATOM 519 CB ALA A 831 -2.031 14.373 3.997 1.00 0.00 C ATOM 0 H ALA A 831 -3.465 12.752 2.774 1.00 0.00 H new ATOM 0 HA ALA A 831 -3.868 14.100 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 831 -1.622 15.079 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 831 -1.678 13.369 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 831 -1.703 14.649 2.995 1.00 0.00 H new ATOM 525 N GLY A 832 -4.976 16.271 4.668 1.00 0.00 N ATOM 526 CA GLY A 832 -5.532 17.604 4.524 1.00 0.00 C ATOM 527 C GLY A 832 -7.016 17.583 4.217 1.00 0.00 C ATOM 528 O GLY A 832 -7.842 17.845 5.091 1.00 0.00 O ATOM 0 H GLY A 832 -5.339 15.738 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 832 -5.362 18.166 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 832 -5.007 18.129 3.726 1.00 0.00 H new ATOM 532 N VAL A 833 -7.357 17.272 2.970 1.00 0.00 N ATOM 533 CA VAL A 833 -8.752 17.219 2.549 1.00 0.00 C ATOM 534 C VAL A 833 -9.375 15.868 2.882 1.00 0.00 C ATOM 535 O VAL A 833 -10.145 15.317 2.095 1.00 0.00 O ATOM 536 CB VAL A 833 -8.892 17.479 1.037 1.00 0.00 C ATOM 537 CG1 VAL A 833 -8.348 18.853 0.679 1.00 0.00 C ATOM 538 CG2 VAL A 833 -8.185 16.392 0.242 1.00 0.00 C ATOM 0 H VAL A 833 -6.686 17.053 2.234 1.00 0.00 H new ATOM 0 HA VAL A 833 -9.278 18.002 3.095 1.00 0.00 H new ATOM 0 HB VAL A 833 -9.951 17.456 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 833 -8.455 19.019 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -8.904 19.617 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -7.294 18.909 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 833 -8.294 16.592 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -7.127 16.381 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -8.627 15.424 0.477 1.00 0.00 H new ATOM 548 N SER A 834 -9.036 15.338 4.053 1.00 0.00 N ATOM 549 CA SER A 834 -9.560 14.049 4.489 1.00 0.00 C ATOM 550 C SER A 834 -11.033 14.162 4.871 1.00 0.00 C ATOM 551 O SER A 834 -11.374 14.711 5.917 1.00 0.00 O ATOM 552 CB SER A 834 -8.753 13.522 5.677 1.00 0.00 C ATOM 553 OG SER A 834 -7.577 12.861 5.241 1.00 0.00 O ATOM 0 H SER A 834 -8.401 15.781 4.717 1.00 0.00 H new ATOM 0 HA SER A 834 -9.470 13.349 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 834 -8.487 14.349 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 834 -9.365 12.835 6.261 1.00 0.00 H new ATOM 0 HG SER A 834 -7.098 13.432 4.604 1.00 0.00 H new ATOM 559 N GLY A 835 -11.902 13.638 4.012 1.00 0.00 N ATOM 560 CA GLY A 835 -13.328 13.689 4.276 1.00 0.00 C ATOM 561 C GLY A 835 -13.898 15.085 4.113 1.00 0.00 C ATOM 562 O GLY A 835 -13.245 16.084 4.416 1.00 0.00 O ATOM 0 H GLY A 835 -11.644 13.179 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 835 -13.844 13.008 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -13.520 13.338 5.290 1.00 0.00 H new ATOM 566 N PRO A 836 -15.143 15.166 3.622 1.00 0.00 N ATOM 567 CA PRO A 836 -15.827 16.445 3.408 1.00 0.00 C ATOM 568 C PRO A 836 -16.193 17.134 4.718 1.00 0.00 C ATOM 569 O PRO A 836 -16.289 16.490 5.763 1.00 0.00 O ATOM 570 CB PRO A 836 -17.091 16.047 2.641 1.00 0.00 C ATOM 571 CG PRO A 836 -17.337 14.629 3.026 1.00 0.00 C ATOM 572 CD PRO A 836 -15.980 14.017 3.239 1.00 0.00 C ATOM 0 HA PRO A 836 -15.198 17.160 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 836 -17.934 16.683 2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 836 -16.949 16.146 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 836 -17.939 14.570 3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 836 -17.885 14.102 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 836 -16.000 13.257 4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 836 -15.610 13.535 2.334 1.00 0.00 H new ATOM 580 N SER A 837 -16.397 18.446 4.655 1.00 0.00 N ATOM 581 CA SER A 837 -16.750 19.222 5.838 1.00 0.00 C ATOM 582 C SER A 837 -18.121 18.813 6.367 1.00 0.00 C ATOM 583 O SER A 837 -18.963 18.313 5.621 1.00 0.00 O ATOM 584 CB SER A 837 -16.741 20.717 5.514 1.00 0.00 C ATOM 585 OG SER A 837 -16.992 21.492 6.673 1.00 0.00 O ATOM 0 H SER A 837 -16.324 18.994 3.798 1.00 0.00 H new ATOM 0 HA SER A 837 -16.007 19.020 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 837 -15.776 20.994 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 837 -17.496 20.933 4.758 1.00 0.00 H new ATOM 0 HG SER A 837 -16.979 22.444 6.439 1.00 0.00 H new ATOM 591 N SER A 838 -18.338 19.030 7.661 1.00 0.00 N ATOM 592 CA SER A 838 -19.605 18.681 8.292 1.00 0.00 C ATOM 593 C SER A 838 -19.784 19.437 9.605 1.00 0.00 C ATOM 594 O SER A 838 -18.840 20.028 10.128 1.00 0.00 O ATOM 595 CB SER A 838 -19.675 17.174 8.545 1.00 0.00 C ATOM 596 OG SER A 838 -19.917 16.466 7.341 1.00 0.00 O ATOM 0 H SER A 838 -17.653 19.446 8.292 1.00 0.00 H new ATOM 0 HA SER A 838 -20.410 18.966 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 838 -18.740 16.833 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 838 -20.467 16.959 9.263 1.00 0.00 H new ATOM 0 HG SER A 838 -19.867 17.084 6.582 1.00 0.00 H new ATOM 602 N GLY A 839 -21.003 19.412 10.134 1.00 0.00 N ATOM 603 CA GLY A 839 -21.285 20.098 11.382 1.00 0.00 C ATOM 604 C GLY A 839 -22.762 20.387 11.564 1.00 0.00 C ATOM 605 O GLY A 839 -23.610 19.567 11.211 1.00 0.00 O ATOM 0 H GLY A 839 -21.801 18.929 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 839 -20.932 19.490 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 839 -20.728 21.035 11.412 1.00 0.00 H new TER 609 GLY A 839 HETATM 610 ZN ZN A 201 -7.286 6.929 -0.801 1.00 0.00 ZN