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 180:sc= 0 USER MOD Single : A 798 SER OG : rot 26:sc= 0.53 USER MOD Single : A 800 SER OG : rot 40:sc= 0.0498 USER MOD Single : A 801 SER OG : rot 180:sc= 0 USER MOD Single : A 803 SER OG : rot 18:sc= 0.712 USER MOD Single : A 806 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0169) USER MOD Single : A 808 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 ASN : amide:sc= -0.293 X(o=-0.29,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= -0.165 USER MOD Single : A 829 THR OG1 : rot -56:sc= 1.01 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 837 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 838 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 796 -28.276 -2.704 3.068 1.00 0.00 N ATOM 2 CA GLY A 796 -26.869 -3.022 2.909 1.00 0.00 C ATOM 3 C GLY A 796 -26.582 -3.745 1.608 1.00 0.00 C ATOM 4 O GLY A 796 -26.918 -3.254 0.530 1.00 0.00 O ATOM 0 HA2 GLY A 796 -26.285 -2.102 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 796 -26.543 -3.641 3.745 1.00 0.00 H new ATOM 8 N SER A 797 -25.957 -4.914 1.707 1.00 0.00 N ATOM 9 CA SER A 797 -25.619 -5.702 0.528 1.00 0.00 C ATOM 10 C SER A 797 -25.047 -7.059 0.928 1.00 0.00 C ATOM 11 O SER A 797 -24.658 -7.267 2.077 1.00 0.00 O ATOM 12 CB SER A 797 -24.613 -4.949 -0.345 1.00 0.00 C ATOM 13 OG SER A 797 -23.324 -4.953 0.244 1.00 0.00 O ATOM 0 H SER A 797 -25.675 -5.336 2.592 1.00 0.00 H new ATOM 0 HA SER A 797 -26.533 -5.866 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 797 -24.567 -5.409 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 797 -24.948 -3.922 -0.488 1.00 0.00 H new ATOM 0 HG SER A 797 -22.699 -4.467 -0.334 1.00 0.00 H new ATOM 19 N SER A 798 -24.998 -7.979 -0.030 1.00 0.00 N ATOM 20 CA SER A 798 -24.477 -9.318 0.222 1.00 0.00 C ATOM 21 C SER A 798 -23.133 -9.517 -0.472 1.00 0.00 C ATOM 22 O SER A 798 -23.039 -9.461 -1.697 1.00 0.00 O ATOM 23 CB SER A 798 -25.474 -10.374 -0.260 1.00 0.00 C ATOM 24 OG SER A 798 -25.731 -10.239 -1.647 1.00 0.00 O ATOM 0 H SER A 798 -25.313 -7.822 -0.988 1.00 0.00 H new ATOM 0 HA SER A 798 -24.331 -9.429 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 798 -25.081 -11.370 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 798 -26.406 -10.279 0.297 1.00 0.00 H new ATOM 0 HG SER A 798 -24.962 -9.816 -2.083 1.00 0.00 H new ATOM 30 N GLY A 799 -22.093 -9.750 0.323 1.00 0.00 N ATOM 31 CA GLY A 799 -20.767 -9.953 -0.230 1.00 0.00 C ATOM 32 C GLY A 799 -20.144 -8.666 -0.731 1.00 0.00 C ATOM 33 O GLY A 799 -20.334 -8.284 -1.886 1.00 0.00 O ATOM 0 H GLY A 799 -22.145 -9.802 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -20.123 -10.392 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -20.825 -10.668 -1.050 1.00 0.00 H new ATOM 37 N SER A 800 -19.398 -7.993 0.140 1.00 0.00 N ATOM 38 CA SER A 800 -18.749 -6.737 -0.219 1.00 0.00 C ATOM 39 C SER A 800 -17.546 -6.986 -1.123 1.00 0.00 C ATOM 40 O SER A 800 -16.689 -7.816 -0.820 1.00 0.00 O ATOM 41 CB SER A 800 -18.309 -5.988 1.040 1.00 0.00 C ATOM 42 OG SER A 800 -17.423 -6.775 1.817 1.00 0.00 O ATOM 0 H SER A 800 -19.228 -8.296 1.099 1.00 0.00 H new ATOM 0 HA SER A 800 -19.470 -6.127 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 800 -17.821 -5.054 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 800 -19.184 -5.725 1.635 1.00 0.00 H new ATOM 0 HG SER A 800 -16.807 -7.255 1.225 1.00 0.00 H new ATOM 48 N SER A 801 -17.490 -6.262 -2.236 1.00 0.00 N ATOM 49 CA SER A 801 -16.395 -6.406 -3.188 1.00 0.00 C ATOM 50 C SER A 801 -15.962 -5.046 -3.728 1.00 0.00 C ATOM 51 O SER A 801 -16.708 -4.071 -3.656 1.00 0.00 O ATOM 52 CB SER A 801 -16.812 -7.317 -4.344 1.00 0.00 C ATOM 53 OG SER A 801 -16.608 -8.681 -4.017 1.00 0.00 O ATOM 0 H SER A 801 -18.190 -5.569 -2.501 1.00 0.00 H new ATOM 0 HA SER A 801 -15.550 -6.856 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 801 -17.862 -7.150 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 801 -16.239 -7.064 -5.236 1.00 0.00 H new ATOM 0 HG SER A 801 -16.884 -9.243 -4.771 1.00 0.00 H new ATOM 59 N GLY A 802 -14.749 -4.991 -4.270 1.00 0.00 N ATOM 60 CA GLY A 802 -14.236 -3.747 -4.815 1.00 0.00 C ATOM 61 C GLY A 802 -14.118 -3.781 -6.326 1.00 0.00 C ATOM 62 O GLY A 802 -15.119 -3.899 -7.031 1.00 0.00 O ATOM 0 H GLY A 802 -14.113 -5.785 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 802 -14.893 -2.928 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 802 -13.257 -3.540 -4.382 1.00 0.00 H new ATOM 66 N SER A 803 -12.890 -3.676 -6.824 1.00 0.00 N ATOM 67 CA SER A 803 -12.644 -3.690 -8.261 1.00 0.00 C ATOM 68 C SER A 803 -11.208 -4.105 -8.563 1.00 0.00 C ATOM 69 O SER A 803 -10.263 -3.600 -7.959 1.00 0.00 O ATOM 70 CB SER A 803 -12.925 -2.310 -8.861 1.00 0.00 C ATOM 71 OG SER A 803 -14.312 -2.123 -9.081 1.00 0.00 O ATOM 0 H SER A 803 -12.050 -3.580 -6.253 1.00 0.00 H new ATOM 0 HA SER A 803 -13.317 -4.419 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 803 -12.552 -1.536 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 803 -12.386 -2.203 -9.803 1.00 0.00 H new ATOM 0 HG SER A 803 -14.818 -2.775 -8.552 1.00 0.00 H new ATOM 77 N GLY A 804 -11.052 -5.031 -9.504 1.00 0.00 N ATOM 78 CA GLY A 804 -9.728 -5.501 -9.871 1.00 0.00 C ATOM 79 C GLY A 804 -9.079 -6.320 -8.774 1.00 0.00 C ATOM 80 O GLY A 804 -9.586 -6.382 -7.654 1.00 0.00 O ATOM 0 H GLY A 804 -11.818 -5.464 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -9.798 -6.103 -10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -9.094 -4.646 -10.105 1.00 0.00 H new ATOM 84 N GLU A 805 -7.955 -6.953 -9.096 1.00 0.00 N ATOM 85 CA GLU A 805 -7.238 -7.775 -8.129 1.00 0.00 C ATOM 86 C GLU A 805 -5.879 -7.165 -7.797 1.00 0.00 C ATOM 87 O GLU A 805 -4.957 -7.865 -7.378 1.00 0.00 O ATOM 88 CB GLU A 805 -7.054 -9.195 -8.670 1.00 0.00 C ATOM 89 CG GLU A 805 -7.009 -10.258 -7.586 1.00 0.00 C ATOM 90 CD GLU A 805 -8.390 -10.724 -7.167 1.00 0.00 C ATOM 91 OE1 GLU A 805 -9.262 -10.859 -8.051 1.00 0.00 O ATOM 92 OE2 GLU A 805 -8.598 -10.954 -5.958 1.00 0.00 O ATOM 0 H GLU A 805 -7.522 -6.912 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 805 -7.831 -7.816 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -7.870 -9.422 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -6.131 -9.238 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -6.435 -11.112 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -6.484 -9.863 -6.716 1.00 0.00 H new ATOM 99 N LYS A 806 -5.762 -5.856 -7.990 1.00 0.00 N ATOM 100 CA LYS A 806 -4.518 -5.149 -7.711 1.00 0.00 C ATOM 101 C LYS A 806 -3.969 -5.533 -6.341 1.00 0.00 C ATOM 102 O LYS A 806 -4.714 -5.742 -5.383 1.00 0.00 O ATOM 103 CB LYS A 806 -4.740 -3.636 -7.778 1.00 0.00 C ATOM 104 CG LYS A 806 -4.553 -3.055 -9.168 1.00 0.00 C ATOM 105 CD LYS A 806 -5.696 -3.438 -10.092 1.00 0.00 C ATOM 106 CE LYS A 806 -6.917 -2.560 -9.863 1.00 0.00 C ATOM 107 NZ LYS A 806 -6.754 -1.213 -10.478 1.00 0.00 N ATOM 0 H LYS A 806 -6.515 -5.263 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 806 -3.789 -5.436 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 806 -5.748 -3.410 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 806 -4.049 -3.145 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 806 -4.485 -1.969 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 806 -3.611 -3.409 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 806 -5.372 -3.349 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 806 -5.962 -4.482 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 806 -7.798 -3.046 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 806 -7.091 -2.452 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 806 -7.643 -0.681 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 806 -5.993 -0.699 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 806 -6.512 -1.318 -11.484 1.00 0.00 H new ATOM 121 N PRO A 807 -2.634 -5.627 -6.242 1.00 0.00 N ATOM 122 CA PRO A 807 -1.956 -5.984 -4.993 1.00 0.00 C ATOM 123 C PRO A 807 -2.054 -4.881 -3.944 1.00 0.00 C ATOM 124 O PRO A 807 -2.262 -5.152 -2.761 1.00 0.00 O ATOM 125 CB PRO A 807 -0.501 -6.184 -5.423 1.00 0.00 C ATOM 126 CG PRO A 807 -0.351 -5.352 -6.650 1.00 0.00 C ATOM 127 CD PRO A 807 -1.685 -5.391 -7.343 1.00 0.00 C ATOM 0 HA PRO A 807 -2.401 -6.862 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 807 0.190 -5.866 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 807 -0.289 -7.233 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 807 -0.073 -4.329 -6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 807 0.435 -5.745 -7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 807 -1.896 -4.456 -7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 807 -1.728 -6.186 -8.088 1.00 0.00 H new ATOM 135 N TYR A 808 -1.905 -3.637 -4.385 1.00 0.00 N ATOM 136 CA TYR A 808 -1.974 -2.493 -3.484 1.00 0.00 C ATOM 137 C TYR A 808 -3.343 -1.824 -3.559 1.00 0.00 C ATOM 138 O TYR A 808 -3.855 -1.552 -4.644 1.00 0.00 O ATOM 139 CB TYR A 808 -0.880 -1.480 -3.826 1.00 0.00 C ATOM 140 CG TYR A 808 0.480 -2.107 -4.036 1.00 0.00 C ATOM 141 CD1 TYR A 808 1.345 -2.312 -2.968 1.00 0.00 C ATOM 142 CD2 TYR A 808 0.901 -2.492 -5.303 1.00 0.00 C ATOM 143 CE1 TYR A 808 2.588 -2.883 -3.156 1.00 0.00 C ATOM 144 CE2 TYR A 808 2.142 -3.065 -5.500 1.00 0.00 C ATOM 145 CZ TYR A 808 2.982 -3.258 -4.423 1.00 0.00 C ATOM 146 OH TYR A 808 4.220 -3.828 -4.615 1.00 0.00 O ATOM 0 H TYR A 808 -1.736 -3.395 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 808 -1.820 -2.854 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 808 -1.165 -0.940 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 808 -0.812 -0.746 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 808 1.040 -2.020 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 808 0.246 -2.340 -6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 808 3.248 -3.035 -2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 808 2.453 -3.360 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 808 4.341 -4.035 -5.565 1.00 0.00 H new ATOM 156 N GLU A 809 -3.930 -1.560 -2.395 1.00 0.00 N ATOM 157 CA GLU A 809 -5.240 -0.923 -2.328 1.00 0.00 C ATOM 158 C GLU A 809 -5.319 0.035 -1.142 1.00 0.00 C ATOM 159 O GLU A 809 -5.339 -0.390 0.013 1.00 0.00 O ATOM 160 CB GLU A 809 -6.341 -1.979 -2.218 1.00 0.00 C ATOM 161 CG GLU A 809 -7.664 -1.545 -2.825 1.00 0.00 C ATOM 162 CD GLU A 809 -8.715 -2.637 -2.777 1.00 0.00 C ATOM 163 OE1 GLU A 809 -8.688 -3.443 -1.823 1.00 0.00 O ATOM 164 OE2 GLU A 809 -9.563 -2.687 -3.692 1.00 0.00 O ATOM 0 H GLU A 809 -3.519 -1.777 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 809 -5.385 -0.352 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 809 -6.007 -2.892 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 809 -6.496 -2.222 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 809 -8.033 -0.668 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 809 -7.503 -1.246 -3.861 1.00 0.00 H new ATOM 171 N CYS A 810 -5.363 1.330 -1.438 1.00 0.00 N ATOM 172 CA CYS A 810 -5.438 2.349 -0.398 1.00 0.00 C ATOM 173 C CYS A 810 -6.306 1.878 0.765 1.00 0.00 C ATOM 174 O CYS A 810 -7.218 1.072 0.585 1.00 0.00 O ATOM 175 CB CYS A 810 -5.999 3.652 -0.972 1.00 0.00 C ATOM 176 SG CYS A 810 -5.744 5.106 0.096 1.00 0.00 S ATOM 0 H CYS A 810 -5.348 1.698 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 810 -4.429 2.527 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 810 -5.534 3.840 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 810 -7.067 3.528 -1.150 1.00 0.00 H new ATOM 181 N ASN A 811 -6.015 2.386 1.958 1.00 0.00 N ATOM 182 CA ASN A 811 -6.768 2.017 3.151 1.00 0.00 C ATOM 183 C ASN A 811 -7.772 3.105 3.519 1.00 0.00 C ATOM 184 O ASN A 811 -8.838 2.821 4.063 1.00 0.00 O ATOM 185 CB ASN A 811 -5.817 1.767 4.323 1.00 0.00 C ATOM 186 CG ASN A 811 -6.464 0.957 5.430 1.00 0.00 C ATOM 187 OD1 ASN A 811 -6.199 -0.236 5.578 1.00 0.00 O ATOM 188 ND2 ASN A 811 -7.319 1.604 6.213 1.00 0.00 N ATOM 0 H ASN A 811 -5.263 3.055 2.124 1.00 0.00 H new ATOM 0 HA ASN A 811 -7.316 1.100 2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.931 1.243 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.481 2.723 4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -7.786 1.112 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -7.508 2.593 6.053 1.00 0.00 H new ATOM 195 N GLU A 812 -7.422 4.352 3.217 1.00 0.00 N ATOM 196 CA GLU A 812 -8.293 5.482 3.517 1.00 0.00 C ATOM 197 C GLU A 812 -9.596 5.390 2.728 1.00 0.00 C ATOM 198 O GLU A 812 -10.683 5.349 3.306 1.00 0.00 O ATOM 199 CB GLU A 812 -7.583 6.800 3.197 1.00 0.00 C ATOM 200 CG GLU A 812 -8.131 7.989 3.969 1.00 0.00 C ATOM 201 CD GLU A 812 -9.644 8.073 3.915 1.00 0.00 C ATOM 202 OE1 GLU A 812 -10.209 7.894 2.816 1.00 0.00 O ATOM 203 OE2 GLU A 812 -10.262 8.318 4.972 1.00 0.00 O ATOM 0 H GLU A 812 -6.543 4.604 2.766 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.530 5.453 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -6.521 6.693 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -7.669 7.000 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -7.812 7.921 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -7.705 8.907 3.565 1.00 0.00 H new ATOM 210 N CYS A 813 -9.479 5.357 1.405 1.00 0.00 N ATOM 211 CA CYS A 813 -10.646 5.270 0.536 1.00 0.00 C ATOM 212 C CYS A 813 -10.862 3.838 0.057 1.00 0.00 C ATOM 213 O CYS A 813 -11.970 3.308 0.131 1.00 0.00 O ATOM 214 CB CYS A 813 -10.483 6.202 -0.667 1.00 0.00 C ATOM 215 SG CYS A 813 -8.944 5.941 -1.606 1.00 0.00 S ATOM 0 H CYS A 813 -8.587 5.389 0.911 1.00 0.00 H new ATOM 0 HA CYS A 813 -11.519 5.578 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 813 -11.332 6.066 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 813 -10.514 7.235 -0.320 1.00 0.00 H new ATOM 220 N GLY A 814 -9.795 3.216 -0.434 1.00 0.00 N ATOM 221 CA GLY A 814 -9.888 1.850 -0.917 1.00 0.00 C ATOM 222 C GLY A 814 -9.526 1.729 -2.384 1.00 0.00 C ATOM 223 O GLY A 814 -9.810 0.713 -3.019 1.00 0.00 O ATOM 0 H GLY A 814 -8.867 3.633 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -9.227 1.214 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -10.903 1.482 -0.765 1.00 0.00 H new ATOM 227 N LYS A 815 -8.898 2.767 -2.925 1.00 0.00 N ATOM 228 CA LYS A 815 -8.496 2.774 -4.326 1.00 0.00 C ATOM 229 C LYS A 815 -7.587 1.589 -4.637 1.00 0.00 C ATOM 230 O LYS A 815 -7.123 0.896 -3.732 1.00 0.00 O ATOM 231 CB LYS A 815 -7.780 4.083 -4.667 1.00 0.00 C ATOM 232 CG LYS A 815 -8.710 5.280 -4.754 1.00 0.00 C ATOM 233 CD LYS A 815 -9.328 5.407 -6.136 1.00 0.00 C ATOM 234 CE LYS A 815 -10.557 6.303 -6.117 1.00 0.00 C ATOM 235 NZ LYS A 815 -11.784 5.554 -5.730 1.00 0.00 N ATOM 0 H LYS A 815 -8.656 3.616 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.395 2.690 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.019 4.279 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.261 3.966 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.500 5.183 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.157 6.189 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -8.591 5.813 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -9.603 4.419 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -10.397 7.124 -5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -10.698 6.747 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -12.599 6.200 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -11.951 4.786 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -11.660 5.152 -4.779 1.00 0.00 H new ATOM 249 N ALA A 816 -7.335 1.363 -5.923 1.00 0.00 N ATOM 250 CA ALA A 816 -6.479 0.265 -6.352 1.00 0.00 C ATOM 251 C ALA A 816 -5.437 0.742 -7.358 1.00 0.00 C ATOM 252 O ALA A 816 -5.733 1.551 -8.237 1.00 0.00 O ATOM 253 CB ALA A 816 -7.317 -0.856 -6.949 1.00 0.00 C ATOM 0 H ALA A 816 -7.712 1.926 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 816 -5.953 -0.116 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 816 -6.664 -1.670 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 816 -8.019 -1.224 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 816 -7.869 -0.479 -7.810 1.00 0.00 H new ATOM 259 N PHE A 817 -4.215 0.236 -7.223 1.00 0.00 N ATOM 260 CA PHE A 817 -3.128 0.612 -8.119 1.00 0.00 C ATOM 261 C PHE A 817 -2.185 -0.564 -8.353 1.00 0.00 C ATOM 262 O PHE A 817 -1.702 -1.184 -7.406 1.00 0.00 O ATOM 263 CB PHE A 817 -2.351 1.798 -7.543 1.00 0.00 C ATOM 264 CG PHE A 817 -3.232 2.907 -7.043 1.00 0.00 C ATOM 265 CD1 PHE A 817 -3.734 2.882 -5.752 1.00 0.00 C ATOM 266 CD2 PHE A 817 -3.558 3.974 -7.865 1.00 0.00 C ATOM 267 CE1 PHE A 817 -4.545 3.901 -5.289 1.00 0.00 C ATOM 268 CE2 PHE A 817 -4.368 4.996 -7.407 1.00 0.00 C ATOM 269 CZ PHE A 817 -4.863 4.959 -6.119 1.00 0.00 C ATOM 0 H PHE A 817 -3.953 -0.436 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 817 -3.562 0.902 -9.076 1.00 0.00 H new ATOM 0 HB2 PHE A 817 -1.723 1.447 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 817 -1.684 2.192 -8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 817 -3.489 2.057 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 817 -3.175 4.007 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 817 -4.929 3.870 -4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 817 -4.614 5.823 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 817 -5.498 5.756 -5.761 1.00 0.00 H new ATOM 279 N ILE A 818 -1.928 -0.865 -9.622 1.00 0.00 N ATOM 280 CA ILE A 818 -1.042 -1.965 -9.981 1.00 0.00 C ATOM 281 C ILE A 818 0.348 -1.768 -9.388 1.00 0.00 C ATOM 282 O ILE A 818 1.071 -2.733 -9.141 1.00 0.00 O ATOM 283 CB ILE A 818 -0.920 -2.114 -11.509 1.00 0.00 C ATOM 284 CG1 ILE A 818 -0.461 -0.796 -12.136 1.00 0.00 C ATOM 285 CG2 ILE A 818 -2.248 -2.557 -12.106 1.00 0.00 C ATOM 286 CD1 ILE A 818 -0.043 -0.929 -13.584 1.00 0.00 C ATOM 0 H ILE A 818 -2.321 -0.362 -10.418 1.00 0.00 H new ATOM 0 HA ILE A 818 -1.484 -2.873 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 818 -0.174 -2.878 -11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 818 -1.269 -0.068 -12.065 1.00 0.00 H new ATOM 0 HG13 ILE A 818 0.375 -0.401 -11.560 1.00 0.00 H new ATOM 0 HG21 ILE A 818 -2.146 -2.658 -13.186 1.00 0.00 H new ATOM 0 HG22 ILE A 818 -2.537 -3.517 -11.678 1.00 0.00 H new ATOM 0 HG23 ILE A 818 -3.014 -1.814 -11.882 1.00 0.00 H new ATOM 0 HD11 ILE A 818 0.270 0.044 -13.963 1.00 0.00 H new ATOM 0 HD12 ILE A 818 0.786 -1.632 -13.660 1.00 0.00 H new ATOM 0 HD13 ILE A 818 -0.884 -1.295 -14.173 1.00 0.00 H new ATOM 298 N TRP A 819 0.716 -0.512 -9.161 1.00 0.00 N ATOM 299 CA TRP A 819 2.020 -0.188 -8.594 1.00 0.00 C ATOM 300 C TRP A 819 1.873 0.444 -7.215 1.00 0.00 C ATOM 301 O TRP A 819 0.908 1.160 -6.948 1.00 0.00 O ATOM 302 CB TRP A 819 2.782 0.759 -9.524 1.00 0.00 C ATOM 303 CG TRP A 819 3.382 0.070 -10.712 1.00 0.00 C ATOM 304 CD1 TRP A 819 2.908 -1.048 -11.336 1.00 0.00 C ATOM 305 CD2 TRP A 819 4.568 0.453 -11.416 1.00 0.00 C ATOM 306 NE1 TRP A 819 3.728 -1.383 -12.387 1.00 0.00 N ATOM 307 CE2 TRP A 819 4.753 -0.477 -12.457 1.00 0.00 C ATOM 308 CE3 TRP A 819 5.490 1.493 -11.270 1.00 0.00 C ATOM 309 CZ2 TRP A 819 5.823 -0.398 -13.344 1.00 0.00 C ATOM 310 CZ3 TRP A 819 6.552 1.570 -12.151 1.00 0.00 C ATOM 311 CH2 TRP A 819 6.711 0.630 -13.178 1.00 0.00 C ATOM 0 H TRP A 819 0.130 0.298 -9.361 1.00 0.00 H new ATOM 0 HA TRP A 819 2.583 -1.115 -8.489 1.00 0.00 H new ATOM 0 HB2 TRP A 819 2.105 1.540 -9.870 1.00 0.00 H new ATOM 0 HB3 TRP A 819 3.574 1.251 -8.960 1.00 0.00 H new ATOM 0 HD1 TRP A 819 2.020 -1.589 -11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 819 3.595 -2.177 -13.013 1.00 0.00 H new ATOM 0 HE3 TRP A 819 5.375 2.223 -10.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 5.948 -1.122 -14.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 7.272 2.368 -12.046 1.00 0.00 H new ATOM 0 HH2 TRP A 819 7.551 0.718 -13.852 1.00 0.00 H new ATOM 322 N LYS A 820 2.835 0.174 -6.339 1.00 0.00 N ATOM 323 CA LYS A 820 2.814 0.717 -4.986 1.00 0.00 C ATOM 324 C LYS A 820 3.005 2.230 -5.004 1.00 0.00 C ATOM 325 O LYS A 820 2.213 2.973 -4.425 1.00 0.00 O ATOM 326 CB LYS A 820 3.906 0.064 -4.135 1.00 0.00 C ATOM 327 CG LYS A 820 4.051 0.681 -2.755 1.00 0.00 C ATOM 328 CD LYS A 820 2.852 0.370 -1.876 1.00 0.00 C ATOM 329 CE LYS A 820 3.049 0.890 -0.460 1.00 0.00 C ATOM 330 NZ LYS A 820 3.786 -0.085 0.391 1.00 0.00 N ATOM 0 H LYS A 820 3.640 -0.418 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 820 1.840 0.497 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 820 3.685 -0.998 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 820 4.858 0.140 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 820 4.958 0.305 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 820 4.164 1.761 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 820 1.957 0.818 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 820 2.689 -0.707 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 820 3.597 1.832 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 820 2.078 1.102 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 3.900 0.306 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 3.251 -0.975 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 4.723 -0.268 -0.022 1.00 0.00 H new ATOM 344 N SER A 821 4.061 2.681 -5.674 1.00 0.00 N ATOM 345 CA SER A 821 4.358 4.106 -5.766 1.00 0.00 C ATOM 346 C SER A 821 3.082 4.913 -5.984 1.00 0.00 C ATOM 347 O SER A 821 2.826 5.893 -5.283 1.00 0.00 O ATOM 348 CB SER A 821 5.344 4.371 -6.905 1.00 0.00 C ATOM 349 OG SER A 821 4.779 4.027 -8.158 1.00 0.00 O ATOM 0 H SER A 821 4.725 2.080 -6.161 1.00 0.00 H new ATOM 0 HA SER A 821 4.810 4.420 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 821 5.628 5.423 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 821 6.255 3.795 -6.743 1.00 0.00 H new ATOM 0 HG SER A 821 5.428 4.207 -8.870 1.00 0.00 H new ATOM 355 N LEU A 822 2.284 4.494 -6.960 1.00 0.00 N ATOM 356 CA LEU A 822 1.034 5.177 -7.273 1.00 0.00 C ATOM 357 C LEU A 822 0.196 5.381 -6.014 1.00 0.00 C ATOM 358 O LEU A 822 -0.394 6.444 -5.813 1.00 0.00 O ATOM 359 CB LEU A 822 0.237 4.378 -8.305 1.00 0.00 C ATOM 360 CG LEU A 822 0.973 4.035 -9.601 1.00 0.00 C ATOM 361 CD1 LEU A 822 0.077 3.225 -10.525 1.00 0.00 C ATOM 362 CD2 LEU A 822 1.452 5.302 -10.294 1.00 0.00 C ATOM 0 H LEU A 822 2.481 3.684 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 822 1.277 6.155 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 822 -0.092 3.448 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 822 -0.660 4.943 -8.558 1.00 0.00 H new ATOM 0 HG LEU A 822 1.845 3.430 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 822 0.617 2.990 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 822 -0.215 2.300 -10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 822 -0.814 3.804 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 822 1.973 5.038 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 822 0.596 5.933 -10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 822 2.131 5.843 -9.635 1.00 0.00 H new ATOM 374 N LEU A 823 0.148 4.357 -5.169 1.00 0.00 N ATOM 375 CA LEU A 823 -0.616 4.425 -3.928 1.00 0.00 C ATOM 376 C LEU A 823 -0.019 5.456 -2.976 1.00 0.00 C ATOM 377 O LEU A 823 -0.743 6.139 -2.252 1.00 0.00 O ATOM 378 CB LEU A 823 -0.652 3.052 -3.254 1.00 0.00 C ATOM 379 CG LEU A 823 -1.131 3.030 -1.802 1.00 0.00 C ATOM 380 CD1 LEU A 823 -2.611 3.368 -1.723 1.00 0.00 C ATOM 381 CD2 LEU A 823 -0.857 1.673 -1.171 1.00 0.00 C ATOM 0 H LEU A 823 0.629 3.470 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 823 -1.633 4.731 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -1.299 2.399 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 823 0.350 2.624 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 823 -0.577 3.786 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -2.934 3.347 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -2.780 4.363 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -3.182 2.637 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -1.204 1.675 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -1.384 0.899 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 823 0.214 1.471 -1.193 1.00 0.00 H new ATOM 393 N ILE A 824 1.306 5.565 -2.985 1.00 0.00 N ATOM 394 CA ILE A 824 1.999 6.515 -2.125 1.00 0.00 C ATOM 395 C ILE A 824 1.646 7.952 -2.496 1.00 0.00 C ATOM 396 O ILE A 824 1.159 8.718 -1.664 1.00 0.00 O ATOM 397 CB ILE A 824 3.527 6.337 -2.205 1.00 0.00 C ATOM 398 CG1 ILE A 824 3.923 4.931 -1.750 1.00 0.00 C ATOM 399 CG2 ILE A 824 4.228 7.391 -1.361 1.00 0.00 C ATOM 400 CD1 ILE A 824 5.251 4.468 -2.305 1.00 0.00 C ATOM 0 H ILE A 824 1.920 5.007 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 824 1.671 6.314 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 824 3.839 6.464 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 824 3.966 4.909 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 824 3.147 4.228 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 824 5.307 7.252 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 824 3.967 8.384 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 824 3.913 7.294 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 824 5.467 3.464 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 824 5.206 4.457 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 824 6.038 5.149 -1.981 1.00 0.00 H new ATOM 412 N VAL A 825 1.893 8.311 -3.752 1.00 0.00 N ATOM 413 CA VAL A 825 1.599 9.654 -4.235 1.00 0.00 C ATOM 414 C VAL A 825 0.103 9.944 -4.175 1.00 0.00 C ATOM 415 O VAL A 825 -0.328 11.081 -4.372 1.00 0.00 O ATOM 416 CB VAL A 825 2.091 9.851 -5.681 1.00 0.00 C ATOM 417 CG1 VAL A 825 1.938 11.304 -6.104 1.00 0.00 C ATOM 418 CG2 VAL A 825 3.537 9.398 -5.817 1.00 0.00 C ATOM 0 H VAL A 825 2.296 7.690 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 825 2.128 10.348 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 825 1.478 9.239 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 825 2.291 11.424 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 825 0.888 11.591 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 825 2.525 11.940 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 825 3.869 9.544 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 825 4.166 9.983 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 825 3.613 8.342 -5.558 1.00 0.00 H new ATOM 428 N HIS A 826 -0.684 8.909 -3.902 1.00 0.00 N ATOM 429 CA HIS A 826 -2.133 9.053 -3.815 1.00 0.00 C ATOM 430 C HIS A 826 -2.570 9.296 -2.373 1.00 0.00 C ATOM 431 O HIS A 826 -3.213 10.300 -2.072 1.00 0.00 O ATOM 432 CB HIS A 826 -2.825 7.805 -4.365 1.00 0.00 C ATOM 433 CG HIS A 826 -4.201 7.591 -3.816 1.00 0.00 C ATOM 434 ND1 HIS A 826 -5.334 8.126 -4.393 1.00 0.00 N ATOM 435 CD2 HIS A 826 -4.625 6.894 -2.736 1.00 0.00 C ATOM 436 CE1 HIS A 826 -6.394 7.769 -3.690 1.00 0.00 C ATOM 437 NE2 HIS A 826 -5.991 7.020 -2.680 1.00 0.00 N ATOM 0 H HIS A 826 -0.343 7.962 -3.737 1.00 0.00 H new ATOM 0 HA HIS A 826 -2.424 9.915 -4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 826 -2.884 7.881 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 826 -2.213 6.932 -4.140 1.00 0.00 H new ATOM 0 HD1 HIS A 826 -5.351 8.707 -5.231 1.00 0.00 H new ATOM 0 HD2 HIS A 826 -4.004 6.341 -2.046 1.00 0.00 H new ATOM 0 HE1 HIS A 826 -7.416 8.043 -3.905 1.00 0.00 H new ATOM 445 N GLU A 827 -2.215 8.370 -1.488 1.00 0.00 N ATOM 446 CA GLU A 827 -2.572 8.484 -0.079 1.00 0.00 C ATOM 447 C GLU A 827 -2.340 9.905 0.428 1.00 0.00 C ATOM 448 O GLU A 827 -3.182 10.473 1.122 1.00 0.00 O ATOM 449 CB GLU A 827 -1.761 7.493 0.758 1.00 0.00 C ATOM 450 CG GLU A 827 -2.167 6.044 0.548 1.00 0.00 C ATOM 451 CD GLU A 827 -1.902 5.182 1.767 1.00 0.00 C ATOM 452 OE1 GLU A 827 -2.358 5.557 2.868 1.00 0.00 O ATOM 453 OE2 GLU A 827 -1.241 4.133 1.621 1.00 0.00 O ATOM 0 H GLU A 827 -1.681 7.533 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 827 -3.632 8.250 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -0.704 7.604 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -1.873 7.744 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.227 6.000 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -1.623 5.638 -0.305 1.00 0.00 H new ATOM 460 N ARG A 828 -1.190 10.471 0.075 1.00 0.00 N ATOM 461 CA ARG A 828 -0.845 11.824 0.495 1.00 0.00 C ATOM 462 C ARG A 828 -2.037 12.764 0.336 1.00 0.00 C ATOM 463 O ARG A 828 -2.256 13.652 1.160 1.00 0.00 O ATOM 464 CB ARG A 828 0.341 12.346 -0.318 1.00 0.00 C ATOM 465 CG ARG A 828 -0.040 12.843 -1.703 1.00 0.00 C ATOM 466 CD ARG A 828 1.142 13.486 -2.409 1.00 0.00 C ATOM 467 NE ARG A 828 1.232 14.918 -2.134 1.00 0.00 N ATOM 468 CZ ARG A 828 0.321 15.800 -2.531 1.00 0.00 C ATOM 469 NH1 ARG A 828 -0.742 15.400 -3.215 1.00 0.00 N ATOM 470 NH2 ARG A 828 0.472 17.087 -2.242 1.00 0.00 N ATOM 0 H ARG A 828 -0.482 10.014 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.569 11.791 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 828 0.818 13.158 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 828 1.080 11.551 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.412 12.010 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.853 13.565 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 828 2.063 12.997 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 828 1.052 13.328 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 828 2.037 15.259 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -0.863 14.412 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -1.439 16.080 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 828 1.288 17.399 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -0.228 17.764 -2.547 1.00 0.00 H new ATOM 484 N THR A 829 -2.805 12.561 -0.730 1.00 0.00 N ATOM 485 CA THR A 829 -3.974 13.390 -0.999 1.00 0.00 C ATOM 486 C THR A 829 -4.840 13.539 0.247 1.00 0.00 C ATOM 487 O THR A 829 -5.224 14.649 0.619 1.00 0.00 O ATOM 488 CB THR A 829 -4.829 12.804 -2.138 1.00 0.00 C ATOM 489 OG1 THR A 829 -5.345 11.525 -1.754 1.00 0.00 O ATOM 490 CG2 THR A 829 -4.010 12.665 -3.412 1.00 0.00 C ATOM 0 H THR A 829 -2.639 11.830 -1.421 1.00 0.00 H new ATOM 0 HA THR A 829 -3.604 14.370 -1.301 1.00 0.00 H new ATOM 0 HB THR A 829 -5.657 13.486 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 829 -4.604 10.936 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 829 -4.635 12.249 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 829 -3.643 13.645 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 829 -3.165 12.001 -3.231 1.00 0.00 H new ATOM 498 N HIS A 830 -5.145 12.416 0.888 1.00 0.00 N ATOM 499 CA HIS A 830 -5.966 12.422 2.094 1.00 0.00 C ATOM 500 C HIS A 830 -5.342 13.305 3.171 1.00 0.00 C ATOM 501 O HIS A 830 -6.034 13.793 4.064 1.00 0.00 O ATOM 502 CB HIS A 830 -6.142 10.999 2.623 1.00 0.00 C ATOM 503 CG HIS A 830 -6.778 10.067 1.638 1.00 0.00 C ATOM 504 ND1 HIS A 830 -8.083 10.199 1.212 1.00 0.00 N ATOM 505 CD2 HIS A 830 -6.280 8.987 0.992 1.00 0.00 C ATOM 506 CE1 HIS A 830 -8.361 9.238 0.349 1.00 0.00 C ATOM 507 NE2 HIS A 830 -7.284 8.489 0.197 1.00 0.00 N ATOM 0 H HIS A 830 -4.836 11.490 0.593 1.00 0.00 H new ATOM 0 HA HIS A 830 -6.944 12.829 1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 830 -5.167 10.603 2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 830 -6.750 11.029 3.527 1.00 0.00 H new ATOM 0 HD1 HIS A 830 -8.732 10.925 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 830 -5.280 8.590 1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 830 -9.308 9.090 -0.148 1.00 0.00 H new ATOM 515 N ALA A 831 -4.031 13.504 3.080 1.00 0.00 N ATOM 516 CA ALA A 831 -3.315 14.328 4.046 1.00 0.00 C ATOM 517 C ALA A 831 -3.378 15.803 3.662 1.00 0.00 C ATOM 518 O ALA A 831 -2.372 16.510 3.711 1.00 0.00 O ATOM 519 CB ALA A 831 -1.869 13.871 4.160 1.00 0.00 C ATOM 0 H ALA A 831 -3.443 13.106 2.347 1.00 0.00 H new ATOM 0 HA ALA A 831 -3.798 14.211 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 831 -1.346 14.495 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 831 -1.841 12.832 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 831 -1.382 13.958 3.189 1.00 0.00 H new ATOM 525 N GLY A 832 -4.566 16.260 3.278 1.00 0.00 N ATOM 526 CA GLY A 832 -4.736 17.648 2.890 1.00 0.00 C ATOM 527 C GLY A 832 -5.564 18.432 3.890 1.00 0.00 C ATOM 528 O GLY A 832 -5.174 19.521 4.311 1.00 0.00 O ATOM 0 H GLY A 832 -5.413 15.694 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 832 -3.757 18.116 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 832 -5.215 17.693 1.912 1.00 0.00 H new ATOM 532 N VAL A 833 -6.711 17.878 4.270 1.00 0.00 N ATOM 533 CA VAL A 833 -7.596 18.533 5.226 1.00 0.00 C ATOM 534 C VAL A 833 -7.386 17.986 6.633 1.00 0.00 C ATOM 535 O VAL A 833 -6.903 16.868 6.810 1.00 0.00 O ATOM 536 CB VAL A 833 -9.075 18.356 4.833 1.00 0.00 C ATOM 537 CG1 VAL A 833 -9.355 19.019 3.493 1.00 0.00 C ATOM 538 CG2 VAL A 833 -9.442 16.880 4.794 1.00 0.00 C ATOM 0 H VAL A 833 -7.049 16.977 3.931 1.00 0.00 H new ATOM 0 HA VAL A 833 -7.348 19.594 5.212 1.00 0.00 H new ATOM 0 HB VAL A 833 -9.694 18.842 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 833 -10.405 18.883 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -9.133 20.084 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -8.729 18.565 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 833 -10.490 16.773 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -8.817 16.369 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -9.282 16.439 5.778 1.00 0.00 H new ATOM 548 N SER A 834 -7.753 18.782 7.632 1.00 0.00 N ATOM 549 CA SER A 834 -7.602 18.379 9.026 1.00 0.00 C ATOM 550 C SER A 834 -8.964 18.195 9.689 1.00 0.00 C ATOM 551 O SER A 834 -9.309 17.101 10.131 1.00 0.00 O ATOM 552 CB SER A 834 -6.785 19.419 9.793 1.00 0.00 C ATOM 553 OG SER A 834 -6.058 18.817 10.851 1.00 0.00 O ATOM 0 H SER A 834 -8.157 19.710 7.503 1.00 0.00 H new ATOM 0 HA SER A 834 -7.075 17.425 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 834 -6.096 19.919 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 834 -7.449 20.185 10.194 1.00 0.00 H new ATOM 0 HG SER A 834 -5.542 19.502 11.325 1.00 0.00 H new ATOM 559 N GLY A 835 -9.734 19.277 9.754 1.00 0.00 N ATOM 560 CA GLY A 835 -11.050 19.216 10.364 1.00 0.00 C ATOM 561 C GLY A 835 -11.038 19.664 11.812 1.00 0.00 C ATOM 562 O GLY A 835 -10.070 19.453 12.542 1.00 0.00 O ATOM 0 H GLY A 835 -9.470 20.195 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 835 -11.739 19.843 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -11.427 18.195 10.306 1.00 0.00 H new ATOM 566 N PRO A 836 -12.136 20.301 12.247 1.00 0.00 N ATOM 567 CA PRO A 836 -12.272 20.795 13.621 1.00 0.00 C ATOM 568 C PRO A 836 -12.408 19.662 14.633 1.00 0.00 C ATOM 569 O PRO A 836 -12.215 19.862 15.832 1.00 0.00 O ATOM 570 CB PRO A 836 -13.557 21.626 13.573 1.00 0.00 C ATOM 571 CG PRO A 836 -14.339 21.049 12.444 1.00 0.00 C ATOM 572 CD PRO A 836 -13.328 20.587 11.432 1.00 0.00 C ATOM 0 HA PRO A 836 -11.395 21.358 13.941 1.00 0.00 H new ATOM 0 HB2 PRO A 836 -14.108 21.558 14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 836 -13.340 22.681 13.406 1.00 0.00 H new ATOM 0 HG2 PRO A 836 -14.959 20.219 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 836 -15.010 21.793 12.014 1.00 0.00 H new ATOM 0 HD2 PRO A 836 -13.671 19.701 10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 836 -13.129 21.354 10.684 1.00 0.00 H new ATOM 580 N SER A 837 -12.742 18.473 14.142 1.00 0.00 N ATOM 581 CA SER A 837 -12.907 17.309 15.005 1.00 0.00 C ATOM 582 C SER A 837 -11.751 17.198 15.994 1.00 0.00 C ATOM 583 O SER A 837 -11.952 17.246 17.208 1.00 0.00 O ATOM 584 CB SER A 837 -12.999 16.034 14.164 1.00 0.00 C ATOM 585 OG SER A 837 -11.896 15.925 13.281 1.00 0.00 O ATOM 0 H SER A 837 -12.904 18.290 13.152 1.00 0.00 H new ATOM 0 HA SER A 837 -13.832 17.432 15.568 1.00 0.00 H new ATOM 0 HB2 SER A 837 -13.031 15.164 14.820 1.00 0.00 H new ATOM 0 HB3 SER A 837 -13.927 16.038 13.593 1.00 0.00 H new ATOM 0 HG SER A 837 -11.977 15.101 12.756 1.00 0.00 H new ATOM 591 N SER A 838 -10.541 17.049 15.466 1.00 0.00 N ATOM 592 CA SER A 838 -9.352 16.927 16.302 1.00 0.00 C ATOM 593 C SER A 838 -8.300 17.957 15.903 1.00 0.00 C ATOM 594 O SER A 838 -8.008 18.138 14.722 1.00 0.00 O ATOM 595 CB SER A 838 -8.769 15.517 16.193 1.00 0.00 C ATOM 596 OG SER A 838 -7.571 15.401 16.941 1.00 0.00 O ATOM 0 H SER A 838 -10.358 17.010 14.463 1.00 0.00 H new ATOM 0 HA SER A 838 -9.644 17.113 17.336 1.00 0.00 H new ATOM 0 HB2 SER A 838 -9.498 14.790 16.552 1.00 0.00 H new ATOM 0 HB3 SER A 838 -8.573 15.281 15.147 1.00 0.00 H new ATOM 0 HG SER A 838 -7.219 14.490 16.856 1.00 0.00 H new ATOM 602 N GLY A 839 -7.732 18.630 16.899 1.00 0.00 N ATOM 603 CA GLY A 839 -6.718 19.634 16.634 1.00 0.00 C ATOM 604 C GLY A 839 -7.106 21.002 17.159 1.00 0.00 C ATOM 605 O GLY A 839 -7.545 21.135 18.301 1.00 0.00 O ATOM 0 H GLY A 839 -7.956 18.498 17.885 1.00 0.00 H new ATOM 0 HA2 GLY A 839 -5.778 19.326 17.091 1.00 0.00 H new ATOM 0 HA3 GLY A 839 -6.545 19.696 15.560 1.00 0.00 H new TER 609 GLY A 839 HETATM 610 ZN ZN A 201 -7.057 6.803 -0.895 1.00 0.00 ZN