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 51:sc= 0.775 USER MOD Single : A 798 SER OG : rot 180:sc= 0 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+ -111:sc= -0.226 (180deg=-2.26!) 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 -28.743 0.889 -23.875 1.00 0.00 N ATOM 2 CA GLY A 796 -27.688 -0.100 -23.751 1.00 0.00 C ATOM 3 C GLY A 796 -27.106 -0.155 -22.352 1.00 0.00 C ATOM 4 O GLY A 796 -26.407 0.764 -21.927 1.00 0.00 O ATOM 0 HA2 GLY A 796 -28.081 -1.081 -24.016 1.00 0.00 H new ATOM 0 HA3 GLY A 796 -26.895 0.129 -24.463 1.00 0.00 H new ATOM 8 N SER A 797 -27.397 -1.235 -21.634 1.00 0.00 N ATOM 9 CA SER A 797 -26.902 -1.404 -20.273 1.00 0.00 C ATOM 10 C SER A 797 -25.636 -2.254 -20.257 1.00 0.00 C ATOM 11 O SER A 797 -25.696 -3.480 -20.357 1.00 0.00 O ATOM 12 CB SER A 797 -27.975 -2.051 -19.394 1.00 0.00 C ATOM 13 OG SER A 797 -28.351 -3.320 -19.899 1.00 0.00 O ATOM 0 H SER A 797 -27.973 -2.006 -21.972 1.00 0.00 H new ATOM 0 HA SER A 797 -26.662 -0.418 -19.875 1.00 0.00 H new ATOM 0 HB2 SER A 797 -27.600 -2.158 -18.376 1.00 0.00 H new ATOM 0 HB3 SER A 797 -28.849 -1.402 -19.345 1.00 0.00 H new ATOM 0 HG SER A 797 -27.548 -3.858 -20.061 1.00 0.00 H new ATOM 19 N SER A 798 -24.489 -1.594 -20.130 1.00 0.00 N ATOM 20 CA SER A 798 -23.206 -2.287 -20.104 1.00 0.00 C ATOM 21 C SER A 798 -22.300 -1.713 -19.020 1.00 0.00 C ATOM 22 O SER A 798 -22.659 -0.753 -18.339 1.00 0.00 O ATOM 23 CB SER A 798 -22.519 -2.182 -21.467 1.00 0.00 C ATOM 24 OG SER A 798 -23.242 -2.891 -22.459 1.00 0.00 O ATOM 0 H SER A 798 -24.422 -0.580 -20.043 1.00 0.00 H new ATOM 0 HA SER A 798 -23.392 -3.337 -19.878 1.00 0.00 H new ATOM 0 HB2 SER A 798 -22.433 -1.134 -21.755 1.00 0.00 H new ATOM 0 HB3 SER A 798 -21.506 -2.578 -21.398 1.00 0.00 H new ATOM 0 HG SER A 798 -22.783 -2.807 -23.321 1.00 0.00 H new ATOM 30 N GLY A 799 -21.121 -2.308 -18.865 1.00 0.00 N ATOM 31 CA GLY A 799 -20.181 -1.844 -17.862 1.00 0.00 C ATOM 32 C GLY A 799 -19.126 -2.881 -17.532 1.00 0.00 C ATOM 33 O GLY A 799 -19.449 -4.016 -17.183 1.00 0.00 O ATOM 0 H GLY A 799 -20.800 -3.104 -19.417 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -19.694 -0.936 -18.217 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -20.724 -1.581 -16.954 1.00 0.00 H new ATOM 37 N SER A 800 -17.860 -2.491 -17.646 1.00 0.00 N ATOM 38 CA SER A 800 -16.753 -3.398 -17.362 1.00 0.00 C ATOM 39 C SER A 800 -15.917 -2.885 -16.193 1.00 0.00 C ATOM 40 O SER A 800 -15.129 -1.951 -16.342 1.00 0.00 O ATOM 41 CB SER A 800 -15.871 -3.562 -18.601 1.00 0.00 C ATOM 42 OG SER A 800 -16.430 -4.501 -19.504 1.00 0.00 O ATOM 0 H SER A 800 -17.575 -1.554 -17.933 1.00 0.00 H new ATOM 0 HA SER A 800 -17.170 -4.368 -17.090 1.00 0.00 H new ATOM 0 HB2 SER A 800 -15.755 -2.599 -19.098 1.00 0.00 H new ATOM 0 HB3 SER A 800 -14.875 -3.889 -18.302 1.00 0.00 H new ATOM 0 HG SER A 800 -15.849 -4.587 -20.288 1.00 0.00 H new ATOM 48 N SER A 801 -16.095 -3.504 -15.030 1.00 0.00 N ATOM 49 CA SER A 801 -15.361 -3.109 -13.834 1.00 0.00 C ATOM 50 C SER A 801 -14.758 -4.326 -13.140 1.00 0.00 C ATOM 51 O SER A 801 -15.434 -5.331 -12.926 1.00 0.00 O ATOM 52 CB SER A 801 -16.283 -2.362 -12.868 1.00 0.00 C ATOM 53 OG SER A 801 -17.292 -3.217 -12.362 1.00 0.00 O ATOM 0 H SER A 801 -16.741 -4.281 -14.891 1.00 0.00 H new ATOM 0 HA SER A 801 -14.550 -2.447 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 801 -15.698 -1.956 -12.042 1.00 0.00 H new ATOM 0 HB3 SER A 801 -16.742 -1.516 -13.379 1.00 0.00 H new ATOM 0 HG SER A 801 -17.867 -2.716 -11.746 1.00 0.00 H new ATOM 59 N GLY A 802 -13.478 -4.227 -12.791 1.00 0.00 N ATOM 60 CA GLY A 802 -12.804 -5.326 -12.125 1.00 0.00 C ATOM 61 C GLY A 802 -11.894 -6.098 -13.059 1.00 0.00 C ATOM 62 O GLY A 802 -10.944 -5.543 -13.612 1.00 0.00 O ATOM 0 H GLY A 802 -12.897 -3.406 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 802 -12.219 -4.938 -11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 802 -13.548 -6.003 -11.705 1.00 0.00 H new ATOM 66 N SER A 803 -12.183 -7.383 -13.236 1.00 0.00 N ATOM 67 CA SER A 803 -11.380 -8.235 -14.105 1.00 0.00 C ATOM 68 C SER A 803 -9.899 -7.885 -13.992 1.00 0.00 C ATOM 69 O SER A 803 -9.184 -7.829 -14.992 1.00 0.00 O ATOM 70 CB SER A 803 -11.839 -8.095 -15.558 1.00 0.00 C ATOM 71 OG SER A 803 -12.947 -8.936 -15.826 1.00 0.00 O ATOM 0 H SER A 803 -12.968 -7.857 -12.789 1.00 0.00 H new ATOM 0 HA SER A 803 -11.517 -9.268 -13.786 1.00 0.00 H new ATOM 0 HB2 SER A 803 -12.108 -7.058 -15.759 1.00 0.00 H new ATOM 0 HB3 SER A 803 -11.017 -8.347 -16.228 1.00 0.00 H new ATOM 0 HG SER A 803 -13.222 -8.827 -16.760 1.00 0.00 H new ATOM 77 N GLY A 804 -9.445 -7.650 -12.764 1.00 0.00 N ATOM 78 CA GLY A 804 -8.053 -7.308 -12.541 1.00 0.00 C ATOM 79 C GLY A 804 -7.802 -6.781 -11.142 1.00 0.00 C ATOM 80 O GLY A 804 -7.941 -5.585 -10.888 1.00 0.00 O ATOM 0 H GLY A 804 -10.017 -7.691 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -7.434 -8.189 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -7.745 -6.558 -13.269 1.00 0.00 H new ATOM 84 N GLU A 805 -7.432 -7.677 -10.232 1.00 0.00 N ATOM 85 CA GLU A 805 -7.165 -7.295 -8.850 1.00 0.00 C ATOM 86 C GLU A 805 -5.781 -6.666 -8.718 1.00 0.00 C ATOM 87 O GLU A 805 -4.835 -7.069 -9.396 1.00 0.00 O ATOM 88 CB GLU A 805 -7.272 -8.514 -7.931 1.00 0.00 C ATOM 89 CG GLU A 805 -7.595 -8.162 -6.489 1.00 0.00 C ATOM 90 CD GLU A 805 -9.038 -7.733 -6.302 1.00 0.00 C ATOM 91 OE1 GLU A 805 -9.938 -8.468 -6.760 1.00 0.00 O ATOM 92 OE2 GLU A 805 -9.266 -6.664 -5.699 1.00 0.00 O ATOM 0 H GLU A 805 -7.310 -8.671 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 805 -7.911 -6.558 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -8.044 -9.181 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -6.331 -9.064 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -7.391 -9.024 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -6.936 -7.360 -6.158 1.00 0.00 H new ATOM 99 N LYS A 806 -5.670 -5.673 -7.842 1.00 0.00 N ATOM 100 CA LYS A 806 -4.404 -4.986 -7.619 1.00 0.00 C ATOM 101 C LYS A 806 -3.777 -5.417 -6.296 1.00 0.00 C ATOM 102 O LYS A 806 -4.465 -5.643 -5.300 1.00 0.00 O ATOM 103 CB LYS A 806 -4.614 -3.470 -7.626 1.00 0.00 C ATOM 104 CG LYS A 806 -4.903 -2.903 -9.005 1.00 0.00 C ATOM 105 CD LYS A 806 -6.359 -3.099 -9.394 1.00 0.00 C ATOM 106 CE LYS A 806 -6.721 -2.285 -10.627 1.00 0.00 C ATOM 107 NZ LYS A 806 -6.139 -2.869 -11.867 1.00 0.00 N ATOM 0 H LYS A 806 -6.443 -5.326 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 806 -3.725 -5.256 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 806 -5.441 -3.223 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 806 -3.724 -2.986 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 806 -4.661 -1.840 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 806 -4.260 -3.387 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 806 -6.546 -4.155 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 806 -7.001 -2.808 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 806 -7.806 -2.235 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 806 -6.364 -1.262 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 806 -6.408 -2.286 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 806 -5.102 -2.894 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 806 -6.499 -3.836 -11.998 1.00 0.00 H new ATOM 121 N PRO A 807 -2.441 -5.531 -6.283 1.00 0.00 N ATOM 122 CA PRO A 807 -1.692 -5.933 -5.089 1.00 0.00 C ATOM 123 C PRO A 807 -1.708 -4.859 -4.006 1.00 0.00 C ATOM 124 O PRO A 807 -1.378 -5.125 -2.850 1.00 0.00 O ATOM 125 CB PRO A 807 -0.270 -6.141 -5.615 1.00 0.00 C ATOM 126 CG PRO A 807 -0.183 -5.275 -6.824 1.00 0.00 C ATOM 127 CD PRO A 807 -1.558 -5.277 -7.434 1.00 0.00 C ATOM 0 HA PRO A 807 -2.120 -6.818 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 807 0.473 -5.857 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 807 -0.089 -7.187 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 807 0.125 -4.264 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 807 0.556 -5.659 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 807 -1.786 -4.325 -7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 807 -1.659 -6.050 -8.196 1.00 0.00 H new ATOM 135 N TYR A 808 -2.095 -3.647 -4.388 1.00 0.00 N ATOM 136 CA TYR A 808 -2.152 -2.533 -3.449 1.00 0.00 C ATOM 137 C TYR A 808 -3.510 -1.839 -3.509 1.00 0.00 C ATOM 138 O TYR A 808 -3.989 -1.483 -4.585 1.00 0.00 O ATOM 139 CB TYR A 808 -1.040 -1.527 -3.751 1.00 0.00 C ATOM 140 CG TYR A 808 0.330 -2.157 -3.872 1.00 0.00 C ATOM 141 CD1 TYR A 808 1.045 -2.535 -2.742 1.00 0.00 C ATOM 142 CD2 TYR A 808 0.908 -2.374 -5.117 1.00 0.00 C ATOM 143 CE1 TYR A 808 2.296 -3.110 -2.848 1.00 0.00 C ATOM 144 CE2 TYR A 808 2.158 -2.950 -5.232 1.00 0.00 C ATOM 145 CZ TYR A 808 2.849 -3.316 -4.095 1.00 0.00 C ATOM 146 OH TYR A 808 4.095 -3.889 -4.206 1.00 0.00 O ATOM 0 H TYR A 808 -2.374 -3.411 -5.340 1.00 0.00 H new ATOM 0 HA TYR A 808 -2.011 -2.931 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 808 -1.275 -1.007 -4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 808 -1.017 -0.776 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 808 0.615 -2.376 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 808 0.371 -2.088 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 808 2.839 -3.397 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 808 2.593 -3.113 -6.207 1.00 0.00 H new ATOM 0 HH TYR A 808 4.337 -3.964 -5.153 1.00 0.00 H new ATOM 156 N GLU A 809 -4.123 -1.651 -2.345 1.00 0.00 N ATOM 157 CA GLU A 809 -5.425 -1.000 -2.264 1.00 0.00 C ATOM 158 C GLU A 809 -5.475 -0.025 -1.092 1.00 0.00 C ATOM 159 O GLU A 809 -5.458 -0.432 0.070 1.00 0.00 O ATOM 160 CB GLU A 809 -6.534 -2.045 -2.120 1.00 0.00 C ATOM 161 CG GLU A 809 -7.883 -1.577 -2.640 1.00 0.00 C ATOM 162 CD GLU A 809 -9.008 -2.527 -2.281 1.00 0.00 C ATOM 163 OE1 GLU A 809 -9.081 -3.617 -2.887 1.00 0.00 O ATOM 164 OE2 GLU A 809 -9.816 -2.181 -1.394 1.00 0.00 O ATOM 0 H GLU A 809 -3.739 -1.940 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 809 -5.580 -0.440 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 809 -6.242 -2.949 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 809 -6.633 -2.315 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 809 -8.102 -0.590 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 809 -7.834 -1.471 -3.724 1.00 0.00 H new ATOM 171 N CYS A 810 -5.535 1.265 -1.405 1.00 0.00 N ATOM 172 CA CYS A 810 -5.586 2.300 -0.379 1.00 0.00 C ATOM 173 C CYS A 810 -6.443 1.854 0.802 1.00 0.00 C ATOM 174 O CYS A 810 -7.349 1.036 0.650 1.00 0.00 O ATOM 175 CB CYS A 810 -6.141 3.600 -0.964 1.00 0.00 C ATOM 176 SG CYS A 810 -5.797 5.077 0.046 1.00 0.00 S ATOM 0 H CYS A 810 -5.550 1.619 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 810 -4.571 2.474 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 810 -5.720 3.747 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 810 -7.219 3.500 -1.086 1.00 0.00 H new ATOM 181 N ASN A 811 -6.149 2.398 1.978 1.00 0.00 N ATOM 182 CA ASN A 811 -6.892 2.056 3.185 1.00 0.00 C ATOM 183 C ASN A 811 -7.843 3.183 3.576 1.00 0.00 C ATOM 184 O ASN A 811 -8.918 2.939 4.124 1.00 0.00 O ATOM 185 CB ASN A 811 -5.928 1.765 4.337 1.00 0.00 C ATOM 186 CG ASN A 811 -4.676 1.046 3.875 1.00 0.00 C ATOM 187 OD1 ASN A 811 -3.654 1.673 3.595 1.00 0.00 O ATOM 188 ND2 ASN A 811 -4.749 -0.278 3.794 1.00 0.00 N ATOM 0 H ASN A 811 -5.402 3.077 2.121 1.00 0.00 H new ATOM 0 HA ASN A 811 -7.481 1.163 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -5.649 2.702 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.436 1.159 5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.937 -0.816 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.617 -0.757 4.036 1.00 0.00 H new ATOM 195 N GLU A 812 -7.440 4.417 3.290 1.00 0.00 N ATOM 196 CA GLU A 812 -8.257 5.581 3.611 1.00 0.00 C ATOM 197 C GLU A 812 -9.581 5.543 2.854 1.00 0.00 C ATOM 198 O GLU A 812 -10.650 5.718 3.439 1.00 0.00 O ATOM 199 CB GLU A 812 -7.502 6.870 3.277 1.00 0.00 C ATOM 200 CG GLU A 812 -8.003 8.084 4.041 1.00 0.00 C ATOM 201 CD GLU A 812 -7.581 8.073 5.497 1.00 0.00 C ATOM 202 OE1 GLU A 812 -7.646 6.995 6.125 1.00 0.00 O ATOM 203 OE2 GLU A 812 -7.185 9.141 6.009 1.00 0.00 O ATOM 0 H GLU A 812 -6.553 4.636 2.837 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.469 5.560 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -6.443 6.727 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -7.586 7.064 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -7.626 8.989 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -9.091 8.122 3.982 1.00 0.00 H new ATOM 210 N CYS A 813 -9.501 5.314 1.547 1.00 0.00 N ATOM 211 CA CYS A 813 -10.691 5.254 0.707 1.00 0.00 C ATOM 212 C CYS A 813 -10.929 3.833 0.202 1.00 0.00 C ATOM 213 O CYS A 813 -12.035 3.304 0.304 1.00 0.00 O ATOM 214 CB CYS A 813 -10.554 6.212 -0.478 1.00 0.00 C ATOM 215 SG CYS A 813 -9.029 5.981 -1.448 1.00 0.00 S ATOM 0 H CYS A 813 -8.624 5.167 1.047 1.00 0.00 H new ATOM 0 HA CYS A 813 -11.547 5.555 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 813 -11.413 6.084 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 813 -10.585 7.237 -0.108 1.00 0.00 H new ATOM 220 N GLY A 814 -9.882 3.222 -0.344 1.00 0.00 N ATOM 221 CA GLY A 814 -9.997 1.869 -0.856 1.00 0.00 C ATOM 222 C GLY A 814 -9.660 1.778 -2.331 1.00 0.00 C ATOM 223 O GLY A 814 -9.991 0.793 -2.992 1.00 0.00 O ATOM 0 H GLY A 814 -8.957 3.640 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -9.333 1.213 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -11.013 1.508 -0.695 1.00 0.00 H new ATOM 227 N LYS A 815 -8.999 2.807 -2.851 1.00 0.00 N ATOM 228 CA LYS A 815 -8.617 2.840 -4.257 1.00 0.00 C ATOM 229 C LYS A 815 -7.776 1.621 -4.621 1.00 0.00 C ATOM 230 O LYS A 815 -7.436 0.810 -3.760 1.00 0.00 O ATOM 231 CB LYS A 815 -7.837 4.121 -4.565 1.00 0.00 C ATOM 232 CG LYS A 815 -8.718 5.350 -4.707 1.00 0.00 C ATOM 233 CD LYS A 815 -9.106 5.593 -6.156 1.00 0.00 C ATOM 234 CE LYS A 815 -10.421 4.912 -6.503 1.00 0.00 C ATOM 235 NZ LYS A 815 -10.821 5.164 -7.915 1.00 0.00 N ATOM 0 H LYS A 815 -8.717 3.630 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.528 2.823 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.111 4.294 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.273 3.980 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.618 5.226 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.192 6.222 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -9.192 6.665 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -8.319 5.221 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -10.329 3.839 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -11.203 5.271 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -11.722 4.683 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -10.934 6.187 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -10.087 4.799 -8.554 1.00 0.00 H new ATOM 249 N ALA A 816 -7.443 1.498 -5.902 1.00 0.00 N ATOM 250 CA ALA A 816 -6.640 0.380 -6.379 1.00 0.00 C ATOM 251 C ALA A 816 -5.570 0.850 -7.359 1.00 0.00 C ATOM 252 O ALA A 816 -5.822 1.712 -8.201 1.00 0.00 O ATOM 253 CB ALA A 816 -7.529 -0.670 -7.029 1.00 0.00 C ATOM 0 H ALA A 816 -7.718 2.160 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 816 -6.138 -0.066 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 816 -6.915 -1.499 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 816 -8.251 -1.037 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 816 -8.058 -0.227 -7.873 1.00 0.00 H new ATOM 259 N PHE A 817 -4.376 0.280 -7.243 1.00 0.00 N ATOM 260 CA PHE A 817 -3.267 0.643 -8.118 1.00 0.00 C ATOM 261 C PHE A 817 -2.371 -0.562 -8.388 1.00 0.00 C ATOM 262 O PHE A 817 -2.119 -1.374 -7.498 1.00 0.00 O ATOM 263 CB PHE A 817 -2.446 1.773 -7.494 1.00 0.00 C ATOM 264 CG PHE A 817 -3.286 2.876 -6.917 1.00 0.00 C ATOM 265 CD1 PHE A 817 -3.735 2.811 -5.608 1.00 0.00 C ATOM 266 CD2 PHE A 817 -3.628 3.978 -7.684 1.00 0.00 C ATOM 267 CE1 PHE A 817 -4.508 3.825 -5.073 1.00 0.00 C ATOM 268 CE2 PHE A 817 -4.401 4.995 -7.155 1.00 0.00 C ATOM 269 CZ PHE A 817 -4.842 4.918 -5.849 1.00 0.00 C ATOM 0 H PHE A 817 -4.151 -0.435 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 817 -3.682 0.985 -9.066 1.00 0.00 H new ATOM 0 HB2 PHE A 817 -1.813 1.360 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 817 -1.783 2.191 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 817 -3.478 1.958 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 817 -3.287 4.043 -8.707 1.00 0.00 H new ATOM 0 HE1 PHE A 817 -4.850 3.763 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 817 -4.660 5.849 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 817 -5.447 5.711 -5.435 1.00 0.00 H new ATOM 279 N ILE A 818 -1.893 -0.671 -9.624 1.00 0.00 N ATOM 280 CA ILE A 818 -1.025 -1.776 -10.012 1.00 0.00 C ATOM 281 C ILE A 818 0.391 -1.574 -9.483 1.00 0.00 C ATOM 282 O ILE A 818 1.097 -2.538 -9.187 1.00 0.00 O ATOM 283 CB ILE A 818 -0.971 -1.939 -11.542 1.00 0.00 C ATOM 284 CG1 ILE A 818 -0.551 -0.624 -12.202 1.00 0.00 C ATOM 285 CG2 ILE A 818 -2.321 -2.397 -12.074 1.00 0.00 C ATOM 286 CD1 ILE A 818 -0.168 -0.774 -13.658 1.00 0.00 C ATOM 0 H ILE A 818 -2.092 -0.008 -10.373 1.00 0.00 H new ATOM 0 HA ILE A 818 -1.449 -2.679 -9.574 1.00 0.00 H new ATOM 0 HB ILE A 818 -0.229 -2.700 -11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 818 -1.370 0.091 -12.122 1.00 0.00 H new ATOM 0 HG13 ILE A 818 0.293 -0.205 -11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 818 -2.267 -2.508 -13.157 1.00 0.00 H new ATOM 0 HG22 ILE A 818 -2.584 -3.354 -11.624 1.00 0.00 H new ATOM 0 HG23 ILE A 818 -3.081 -1.657 -11.823 1.00 0.00 H new ATOM 0 HD11 ILE A 818 0.118 0.197 -14.061 1.00 0.00 H new ATOM 0 HD12 ILE A 818 0.671 -1.464 -13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 818 -1.017 -1.163 -14.219 1.00 0.00 H new ATOM 298 N TRP A 819 0.799 -0.316 -9.366 1.00 0.00 N ATOM 299 CA TRP A 819 2.131 0.013 -8.871 1.00 0.00 C ATOM 300 C TRP A 819 2.058 0.616 -7.472 1.00 0.00 C ATOM 301 O TRP A 819 1.202 1.455 -7.191 1.00 0.00 O ATOM 302 CB TRP A 819 2.826 0.985 -9.824 1.00 0.00 C ATOM 303 CG TRP A 819 3.446 0.313 -11.012 1.00 0.00 C ATOM 304 CD1 TRP A 819 2.994 -0.809 -11.646 1.00 0.00 C ATOM 305 CD2 TRP A 819 4.631 0.718 -11.704 1.00 0.00 C ATOM 306 NE1 TRP A 819 3.827 -1.125 -12.692 1.00 0.00 N ATOM 307 CE2 TRP A 819 4.839 -0.203 -12.750 1.00 0.00 C ATOM 308 CE3 TRP A 819 5.537 1.770 -11.545 1.00 0.00 C ATOM 309 CZ2 TRP A 819 5.914 -0.102 -13.628 1.00 0.00 C ATOM 310 CZ3 TRP A 819 6.604 1.869 -12.417 1.00 0.00 C ATOM 311 CH2 TRP A 819 6.785 0.938 -13.448 1.00 0.00 C ATOM 0 H TRP A 819 0.227 0.493 -9.607 1.00 0.00 H new ATOM 0 HA TRP A 819 2.710 -0.909 -8.819 1.00 0.00 H new ATOM 0 HB2 TRP A 819 2.102 1.723 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 819 3.598 1.527 -9.279 1.00 0.00 H new ATOM 0 HD1 TRP A 819 2.112 -1.366 -11.366 1.00 0.00 H new ATOM 0 HE1 TRP A 819 3.711 -1.918 -13.323 1.00 0.00 H new ATOM 0 HE3 TRP A 819 5.405 2.493 -10.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 6.056 -0.819 -14.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 7.310 2.678 -12.302 1.00 0.00 H new ATOM 0 HH2 TRP A 819 7.629 1.043 -14.114 1.00 0.00 H new ATOM 322 N LYS A 820 2.961 0.185 -6.599 1.00 0.00 N ATOM 323 CA LYS A 820 3.001 0.684 -5.229 1.00 0.00 C ATOM 324 C LYS A 820 3.197 2.196 -5.207 1.00 0.00 C ATOM 325 O LYS A 820 2.452 2.918 -4.545 1.00 0.00 O ATOM 326 CB LYS A 820 4.126 0.001 -4.448 1.00 0.00 C ATOM 327 CG LYS A 820 4.324 0.562 -3.051 1.00 0.00 C ATOM 328 CD LYS A 820 3.177 0.181 -2.129 1.00 0.00 C ATOM 329 CE LYS A 820 3.485 0.532 -0.682 1.00 0.00 C ATOM 330 NZ LYS A 820 2.345 0.212 0.221 1.00 0.00 N ATOM 0 H LYS A 820 3.676 -0.509 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 820 2.047 0.452 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 820 3.911 -1.065 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 820 5.057 0.101 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 820 5.262 0.191 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 820 4.406 1.648 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 820 2.269 0.696 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 820 2.982 -0.888 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 820 4.370 -0.014 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 820 3.720 1.594 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 1.924 1.095 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 1.627 -0.328 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 2.686 -0.355 1.023 1.00 0.00 H new ATOM 344 N SER A 821 4.204 2.669 -5.935 1.00 0.00 N ATOM 345 CA SER A 821 4.499 4.095 -5.996 1.00 0.00 C ATOM 346 C SER A 821 3.219 4.908 -6.168 1.00 0.00 C ATOM 347 O SER A 821 3.041 5.949 -5.534 1.00 0.00 O ATOM 348 CB SER A 821 5.462 4.389 -7.148 1.00 0.00 C ATOM 349 OG SER A 821 5.019 3.783 -8.350 1.00 0.00 O ATOM 0 H SER A 821 4.829 2.085 -6.491 1.00 0.00 H new ATOM 0 HA SER A 821 4.969 4.384 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 821 5.546 5.466 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 821 6.457 4.022 -6.897 1.00 0.00 H new ATOM 0 HG SER A 821 5.650 3.987 -9.071 1.00 0.00 H new ATOM 355 N LEU A 822 2.331 4.425 -7.029 1.00 0.00 N ATOM 356 CA LEU A 822 1.066 5.106 -7.286 1.00 0.00 C ATOM 357 C LEU A 822 0.254 5.247 -6.003 1.00 0.00 C ATOM 358 O LEU A 822 -0.338 6.295 -5.742 1.00 0.00 O ATOM 359 CB LEU A 822 0.257 4.341 -8.334 1.00 0.00 C ATOM 360 CG LEU A 822 0.941 4.125 -9.684 1.00 0.00 C ATOM 361 CD1 LEU A 822 0.106 3.210 -10.566 1.00 0.00 C ATOM 362 CD2 LEU A 822 1.187 5.457 -10.377 1.00 0.00 C ATOM 0 H LEU A 822 2.463 3.565 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 822 1.288 6.104 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 822 -0.004 3.366 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 822 -0.677 4.876 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 822 1.904 3.646 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 822 0.609 3.068 -11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 822 -0.018 2.245 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 822 -0.872 3.660 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 822 1.675 5.283 -11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 822 0.236 5.964 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 822 1.827 6.080 -9.752 1.00 0.00 H new ATOM 374 N LEU A 823 0.231 4.186 -5.204 1.00 0.00 N ATOM 375 CA LEU A 823 -0.507 4.192 -3.945 1.00 0.00 C ATOM 376 C LEU A 823 0.064 5.228 -2.983 1.00 0.00 C ATOM 377 O LEU A 823 -0.671 5.846 -2.213 1.00 0.00 O ATOM 378 CB LEU A 823 -0.467 2.805 -3.302 1.00 0.00 C ATOM 379 CG LEU A 823 -0.920 2.728 -1.843 1.00 0.00 C ATOM 380 CD1 LEU A 823 -2.421 2.947 -1.738 1.00 0.00 C ATOM 381 CD2 LEU A 823 -0.531 1.390 -1.233 1.00 0.00 C ATOM 0 H LEU A 823 0.715 3.311 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 823 -1.542 4.457 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -1.093 2.135 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 823 0.553 2.426 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 823 -0.418 3.518 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -2.725 2.889 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -2.674 3.930 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -2.942 2.179 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -0.861 1.354 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -1.004 0.583 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 823 0.552 1.273 -1.273 1.00 0.00 H new ATOM 393 N ILE A 824 1.379 5.414 -3.035 1.00 0.00 N ATOM 394 CA ILE A 824 2.048 6.378 -2.171 1.00 0.00 C ATOM 395 C ILE A 824 1.617 7.803 -2.499 1.00 0.00 C ATOM 396 O ILE A 824 0.993 8.479 -1.680 1.00 0.00 O ATOM 397 CB ILE A 824 3.580 6.276 -2.294 1.00 0.00 C ATOM 398 CG1 ILE A 824 4.050 4.866 -1.934 1.00 0.00 C ATOM 399 CG2 ILE A 824 4.253 7.309 -1.401 1.00 0.00 C ATOM 400 CD1 ILE A 824 5.330 4.459 -2.629 1.00 0.00 C ATOM 0 H ILE A 824 2.002 4.910 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 824 1.757 6.140 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 824 3.861 6.479 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 824 4.197 4.805 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 824 3.265 4.154 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 824 5.335 7.225 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 824 3.939 8.309 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 824 3.968 7.134 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 824 5.603 3.448 -2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 824 5.183 4.487 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 824 6.128 5.148 -2.354 1.00 0.00 H new ATOM 412 N VAL A 825 1.951 8.254 -3.704 1.00 0.00 N ATOM 413 CA VAL A 825 1.595 9.599 -4.143 1.00 0.00 C ATOM 414 C VAL A 825 0.114 9.877 -3.915 1.00 0.00 C ATOM 415 O VAL A 825 -0.314 11.032 -3.888 1.00 0.00 O ATOM 416 CB VAL A 825 1.922 9.807 -5.634 1.00 0.00 C ATOM 417 CG1 VAL A 825 1.773 11.272 -6.013 1.00 0.00 C ATOM 418 CG2 VAL A 825 3.324 9.307 -5.946 1.00 0.00 C ATOM 0 H VAL A 825 2.467 7.708 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 825 2.188 10.294 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 825 1.214 9.229 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 825 2.008 11.400 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 825 0.748 11.593 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 825 2.456 11.874 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 825 3.538 9.462 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 825 4.048 9.856 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 825 3.391 8.244 -5.714 1.00 0.00 H new ATOM 428 N HIS A 826 -0.664 8.813 -3.750 1.00 0.00 N ATOM 429 CA HIS A 826 -2.099 8.943 -3.523 1.00 0.00 C ATOM 430 C HIS A 826 -2.403 9.085 -2.034 1.00 0.00 C ATOM 431 O HIS A 826 -2.979 10.082 -1.602 1.00 0.00 O ATOM 432 CB HIS A 826 -2.839 7.732 -4.093 1.00 0.00 C ATOM 433 CG HIS A 826 -4.247 7.603 -3.598 1.00 0.00 C ATOM 434 ND1 HIS A 826 -5.326 8.174 -4.240 1.00 0.00 N ATOM 435 CD2 HIS A 826 -4.750 6.961 -2.518 1.00 0.00 C ATOM 436 CE1 HIS A 826 -6.431 7.891 -3.574 1.00 0.00 C ATOM 437 NE2 HIS A 826 -6.110 7.156 -2.526 1.00 0.00 N ATOM 0 H HIS A 826 -0.325 7.851 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 826 -2.442 9.843 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 826 -2.850 7.802 -5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 826 -2.288 6.827 -3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 826 -5.278 8.728 -5.095 1.00 0.00 H new ATOM 0 HD2 HIS A 826 -4.187 6.400 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 826 -7.428 8.207 -3.842 1.00 0.00 H new ATOM 445 N GLU A 827 -2.012 8.080 -1.257 1.00 0.00 N ATOM 446 CA GLU A 827 -2.244 8.093 0.183 1.00 0.00 C ATOM 447 C GLU A 827 -2.101 9.505 0.744 1.00 0.00 C ATOM 448 O GLU A 827 -2.921 9.951 1.546 1.00 0.00 O ATOM 449 CB GLU A 827 -1.266 7.151 0.888 1.00 0.00 C ATOM 450 CG GLU A 827 -1.651 5.685 0.783 1.00 0.00 C ATOM 451 CD GLU A 827 -0.985 4.830 1.843 1.00 0.00 C ATOM 452 OE1 GLU A 827 -0.603 5.382 2.897 1.00 0.00 O ATOM 453 OE2 GLU A 827 -0.845 3.609 1.620 1.00 0.00 O ATOM 0 H GLU A 827 -1.533 7.247 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 827 -3.263 7.750 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -0.272 7.288 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -1.203 7.427 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.733 5.590 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -1.378 5.311 -0.204 1.00 0.00 H new ATOM 460 N ARG A 828 -1.054 10.203 0.315 1.00 0.00 N ATOM 461 CA ARG A 828 -0.803 11.563 0.775 1.00 0.00 C ATOM 462 C ARG A 828 -1.985 12.473 0.454 1.00 0.00 C ATOM 463 O ARG A 828 -2.400 13.285 1.282 1.00 0.00 O ATOM 464 CB ARG A 828 0.470 12.115 0.130 1.00 0.00 C ATOM 465 CG ARG A 828 0.445 12.084 -1.390 1.00 0.00 C ATOM 466 CD ARG A 828 1.737 12.628 -1.979 1.00 0.00 C ATOM 467 NE ARG A 828 2.897 11.839 -1.577 1.00 0.00 N ATOM 468 CZ ARG A 828 3.573 12.046 -0.452 1.00 0.00 C ATOM 469 NH1 ARG A 828 3.206 13.013 0.377 1.00 0.00 N ATOM 470 NH2 ARG A 828 4.619 11.286 -0.155 1.00 0.00 N ATOM 0 H ARG A 828 -0.367 9.849 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.672 11.536 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 828 0.619 13.143 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 828 1.325 11.539 0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.291 11.061 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.398 12.672 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 828 1.664 12.637 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 828 1.874 13.661 -1.660 1.00 0.00 H new ATOM 0 HE ARG A 828 3.206 11.087 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 828 2.403 13.600 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 828 3.727 13.170 1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.905 10.541 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 828 5.137 11.446 0.709 1.00 0.00 H new ATOM 484 N THR A 829 -2.523 12.332 -0.753 1.00 0.00 N ATOM 485 CA THR A 829 -3.655 13.142 -1.184 1.00 0.00 C ATOM 486 C THR A 829 -4.701 13.257 -0.081 1.00 0.00 C ATOM 487 O THR A 829 -5.500 14.194 -0.064 1.00 0.00 O ATOM 488 CB THR A 829 -4.318 12.555 -2.445 1.00 0.00 C ATOM 489 OG1 THR A 829 -5.116 13.554 -3.089 1.00 0.00 O ATOM 490 CG2 THR A 829 -5.184 11.355 -2.093 1.00 0.00 C ATOM 0 H THR A 829 -2.193 11.664 -1.450 1.00 0.00 H new ATOM 0 HA THR A 829 -3.264 14.133 -1.415 1.00 0.00 H new ATOM 0 HB THR A 829 -3.530 12.227 -3.123 1.00 0.00 H new ATOM 0 HG1 THR A 829 -5.533 13.173 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 829 -5.641 10.958 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 829 -4.567 10.585 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 829 -5.965 11.661 -1.397 1.00 0.00 H new ATOM 498 N HIS A 830 -4.690 12.298 0.840 1.00 0.00 N ATOM 499 CA HIS A 830 -5.638 12.293 1.948 1.00 0.00 C ATOM 500 C HIS A 830 -5.152 13.189 3.083 1.00 0.00 C ATOM 501 O HIS A 830 -5.287 12.848 4.258 1.00 0.00 O ATOM 502 CB HIS A 830 -5.847 10.868 2.462 1.00 0.00 C ATOM 503 CG HIS A 830 -6.550 9.976 1.486 1.00 0.00 C ATOM 504 ND1 HIS A 830 -7.877 10.133 1.144 1.00 0.00 N ATOM 505 CD2 HIS A 830 -6.104 8.914 0.776 1.00 0.00 C ATOM 506 CE1 HIS A 830 -8.217 9.205 0.268 1.00 0.00 C ATOM 507 NE2 HIS A 830 -7.158 8.453 0.027 1.00 0.00 N ATOM 0 H HIS A 830 -4.036 11.515 0.841 1.00 0.00 H new ATOM 0 HA HIS A 830 -6.588 12.682 1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 830 -4.878 10.433 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 830 -6.422 10.905 3.387 1.00 0.00 H new ATOM 0 HD1 HIS A 830 -8.499 10.854 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 830 -5.105 8.505 0.795 1.00 0.00 H new ATOM 0 HE1 HIS A 830 -9.194 9.082 -0.176 1.00 0.00 H new ATOM 515 N ALA A 831 -4.585 14.336 2.723 1.00 0.00 N ATOM 516 CA ALA A 831 -4.080 15.282 3.711 1.00 0.00 C ATOM 517 C ALA A 831 -4.581 16.694 3.426 1.00 0.00 C ATOM 518 O ALA A 831 -3.934 17.460 2.714 1.00 0.00 O ATOM 519 CB ALA A 831 -2.559 15.255 3.738 1.00 0.00 C ATOM 0 H ALA A 831 -4.464 14.633 1.755 1.00 0.00 H new ATOM 0 HA ALA A 831 -4.455 14.982 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 831 -2.196 15.966 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 831 -2.217 14.253 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 831 -2.173 15.527 2.756 1.00 0.00 H new ATOM 525 N GLY A 832 -5.739 17.031 3.986 1.00 0.00 N ATOM 526 CA GLY A 832 -6.307 18.350 3.779 1.00 0.00 C ATOM 527 C GLY A 832 -7.623 18.303 3.029 1.00 0.00 C ATOM 528 O GLY A 832 -7.655 18.438 1.806 1.00 0.00 O ATOM 0 H GLY A 832 -6.294 16.414 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 832 -6.460 18.832 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 832 -5.598 18.965 3.224 1.00 0.00 H new ATOM 532 N VAL A 833 -8.714 18.109 3.764 1.00 0.00 N ATOM 533 CA VAL A 833 -10.040 18.044 3.161 1.00 0.00 C ATOM 534 C VAL A 833 -11.075 18.747 4.032 1.00 0.00 C ATOM 535 O VAL A 833 -11.212 18.446 5.217 1.00 0.00 O ATOM 536 CB VAL A 833 -10.482 16.586 2.933 1.00 0.00 C ATOM 537 CG1 VAL A 833 -11.909 16.536 2.408 1.00 0.00 C ATOM 538 CG2 VAL A 833 -9.529 15.884 1.978 1.00 0.00 C ATOM 0 H VAL A 833 -8.705 17.994 4.777 1.00 0.00 H new ATOM 0 HA VAL A 833 -9.975 18.551 2.198 1.00 0.00 H new ATOM 0 HB VAL A 833 -10.454 16.062 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 833 -12.204 15.498 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -12.579 16.999 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -11.968 17.075 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 833 -9.856 14.855 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -9.523 16.406 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -8.524 15.887 2.399 1.00 0.00 H new ATOM 548 N SER A 834 -11.802 19.686 3.435 1.00 0.00 N ATOM 549 CA SER A 834 -12.824 20.436 4.157 1.00 0.00 C ATOM 550 C SER A 834 -13.820 19.492 4.824 1.00 0.00 C ATOM 551 O SER A 834 -14.144 18.433 4.288 1.00 0.00 O ATOM 552 CB SER A 834 -13.558 21.383 3.207 1.00 0.00 C ATOM 553 OG SER A 834 -14.751 21.872 3.796 1.00 0.00 O ATOM 0 H SER A 834 -11.703 19.946 2.454 1.00 0.00 H new ATOM 0 HA SER A 834 -12.331 21.022 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 834 -12.908 22.218 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 834 -13.794 20.862 2.279 1.00 0.00 H new ATOM 0 HG SER A 834 -15.201 22.477 3.170 1.00 0.00 H new ATOM 559 N GLY A 835 -14.304 19.886 5.999 1.00 0.00 N ATOM 560 CA GLY A 835 -15.258 19.065 6.720 1.00 0.00 C ATOM 561 C GLY A 835 -16.000 19.843 7.789 1.00 0.00 C ATOM 562 O GLY A 835 -17.068 20.407 7.548 1.00 0.00 O ATOM 0 H GLY A 835 -14.052 20.759 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 835 -15.976 18.645 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -14.736 18.227 7.181 1.00 0.00 H new ATOM 566 N PRO A 836 -15.431 19.878 9.003 1.00 0.00 N ATOM 567 CA PRO A 836 -16.029 20.588 10.137 1.00 0.00 C ATOM 568 C PRO A 836 -15.982 22.103 9.963 1.00 0.00 C ATOM 569 O PRO A 836 -16.397 22.852 10.847 1.00 0.00 O ATOM 570 CB PRO A 836 -15.161 20.159 11.323 1.00 0.00 C ATOM 571 CG PRO A 836 -13.848 19.797 10.719 1.00 0.00 C ATOM 572 CD PRO A 836 -14.159 19.228 9.362 1.00 0.00 C ATOM 0 HA PRO A 836 -17.086 20.348 10.256 1.00 0.00 H new ATOM 0 HB2 PRO A 836 -15.054 20.966 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 836 -15.601 19.313 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 836 -13.202 20.671 10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 836 -13.322 19.069 11.336 1.00 0.00 H new ATOM 0 HD2 PRO A 836 -13.374 19.456 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 836 -14.257 18.143 9.394 1.00 0.00 H new ATOM 580 N SER A 837 -15.475 22.546 8.818 1.00 0.00 N ATOM 581 CA SER A 837 -15.371 23.972 8.529 1.00 0.00 C ATOM 582 C SER A 837 -16.618 24.473 7.807 1.00 0.00 C ATOM 583 O SER A 837 -17.410 23.683 7.293 1.00 0.00 O ATOM 584 CB SER A 837 -14.129 24.253 7.681 1.00 0.00 C ATOM 585 OG SER A 837 -13.809 25.633 7.687 1.00 0.00 O ATOM 0 H SER A 837 -15.130 21.939 8.075 1.00 0.00 H new ATOM 0 HA SER A 837 -15.283 24.504 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 837 -13.285 23.679 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 837 -14.301 23.921 6.657 1.00 0.00 H new ATOM 0 HG SER A 837 -13.011 25.786 7.139 1.00 0.00 H new ATOM 591 N SER A 838 -16.785 25.791 7.772 1.00 0.00 N ATOM 592 CA SER A 838 -17.937 26.398 7.116 1.00 0.00 C ATOM 593 C SER A 838 -18.039 25.942 5.664 1.00 0.00 C ATOM 594 O SER A 838 -17.343 26.457 4.790 1.00 0.00 O ATOM 595 CB SER A 838 -17.840 27.924 7.178 1.00 0.00 C ATOM 596 OG SER A 838 -17.743 28.375 8.518 1.00 0.00 O ATOM 0 H SER A 838 -16.137 26.459 8.190 1.00 0.00 H new ATOM 0 HA SER A 838 -18.835 26.076 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 838 -16.969 28.259 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 838 -18.716 28.367 6.705 1.00 0.00 H new ATOM 0 HG SER A 838 -17.680 29.353 8.530 1.00 0.00 H new ATOM 602 N GLY A 839 -18.912 24.971 5.415 1.00 0.00 N ATOM 603 CA GLY A 839 -19.090 24.460 4.068 1.00 0.00 C ATOM 604 C GLY A 839 -20.259 25.108 3.352 1.00 0.00 C ATOM 605 O GLY A 839 -20.327 25.094 2.123 1.00 0.00 O ATOM 0 H GLY A 839 -19.499 24.529 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 839 -18.178 24.629 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 839 -19.245 23.382 4.109 1.00 0.00 H new TER 609 GLY A 839 HETATM 610 ZN ZN A 201 -7.087 6.700 -0.725 1.00 0.00 ZN