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 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 12:sc= 0.524 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=-0.049) 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 USER MOD Single : A 829 THR OG1 : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 180:sc= -0.0319 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 -23.553 3.155 -18.323 1.00 0.00 N ATOM 2 CA GLY A 796 -24.398 2.196 -17.635 1.00 0.00 C ATOM 3 C GLY A 796 -23.678 0.895 -17.341 1.00 0.00 C ATOM 4 O GLY A 796 -23.814 0.334 -16.254 1.00 0.00 O ATOM 0 HA2 GLY A 796 -24.750 2.632 -16.700 1.00 0.00 H new ATOM 0 HA3 GLY A 796 -25.279 1.991 -18.243 1.00 0.00 H new ATOM 8 N SER A 797 -22.912 0.412 -18.314 1.00 0.00 N ATOM 9 CA SER A 797 -22.172 -0.834 -18.157 1.00 0.00 C ATOM 10 C SER A 797 -20.932 -0.846 -19.046 1.00 0.00 C ATOM 11 O SER A 797 -21.032 -0.936 -20.269 1.00 0.00 O ATOM 12 CB SER A 797 -23.066 -2.029 -18.495 1.00 0.00 C ATOM 13 OG SER A 797 -22.369 -3.251 -18.331 1.00 0.00 O ATOM 0 H SER A 797 -22.788 0.865 -19.219 1.00 0.00 H new ATOM 0 HA SER A 797 -21.853 -0.909 -17.117 1.00 0.00 H new ATOM 0 HB2 SER A 797 -23.947 -2.021 -17.853 1.00 0.00 H new ATOM 0 HB3 SER A 797 -23.419 -1.944 -19.523 1.00 0.00 H new ATOM 0 HG SER A 797 -22.963 -3.999 -18.552 1.00 0.00 H new ATOM 19 N SER A 798 -19.763 -0.754 -18.420 1.00 0.00 N ATOM 20 CA SER A 798 -18.502 -0.750 -19.153 1.00 0.00 C ATOM 21 C SER A 798 -18.434 -1.925 -20.123 1.00 0.00 C ATOM 22 O SER A 798 -18.277 -1.741 -21.329 1.00 0.00 O ATOM 23 CB SER A 798 -17.322 -0.808 -18.180 1.00 0.00 C ATOM 24 OG SER A 798 -16.138 -0.319 -18.786 1.00 0.00 O ATOM 0 H SER A 798 -19.663 -0.681 -17.408 1.00 0.00 H new ATOM 0 HA SER A 798 -18.446 0.175 -19.726 1.00 0.00 H new ATOM 0 HB2 SER A 798 -17.550 -0.219 -17.292 1.00 0.00 H new ATOM 0 HB3 SER A 798 -17.168 -1.836 -17.851 1.00 0.00 H new ATOM 0 HG SER A 798 -15.399 -0.365 -18.144 1.00 0.00 H new ATOM 30 N GLY A 799 -18.553 -3.136 -19.586 1.00 0.00 N ATOM 31 CA GLY A 799 -18.502 -4.325 -20.417 1.00 0.00 C ATOM 32 C GLY A 799 -17.083 -4.739 -20.750 1.00 0.00 C ATOM 33 O GLY A 799 -16.663 -4.667 -21.905 1.00 0.00 O ATOM 0 H GLY A 799 -18.684 -3.315 -18.590 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -19.005 -5.145 -19.904 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -19.050 -4.142 -21.341 1.00 0.00 H new ATOM 37 N SER A 800 -16.341 -5.173 -19.736 1.00 0.00 N ATOM 38 CA SER A 800 -14.958 -5.595 -19.926 1.00 0.00 C ATOM 39 C SER A 800 -14.831 -7.110 -19.800 1.00 0.00 C ATOM 40 O SER A 800 -15.800 -7.802 -19.487 1.00 0.00 O ATOM 41 CB SER A 800 -14.049 -4.909 -18.905 1.00 0.00 C ATOM 42 OG SER A 800 -14.142 -5.536 -17.637 1.00 0.00 O ATOM 0 H SER A 800 -16.674 -5.242 -18.774 1.00 0.00 H new ATOM 0 HA SER A 800 -14.649 -5.304 -20.930 1.00 0.00 H new ATOM 0 HB2 SER A 800 -13.017 -4.939 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 800 -14.325 -3.858 -18.816 1.00 0.00 H new ATOM 0 HG SER A 800 -13.550 -5.080 -17.002 1.00 0.00 H new ATOM 48 N SER A 801 -13.629 -7.619 -20.048 1.00 0.00 N ATOM 49 CA SER A 801 -13.374 -9.053 -19.967 1.00 0.00 C ATOM 50 C SER A 801 -12.529 -9.386 -18.741 1.00 0.00 C ATOM 51 O SER A 801 -11.315 -9.562 -18.839 1.00 0.00 O ATOM 52 CB SER A 801 -12.668 -9.539 -21.234 1.00 0.00 C ATOM 53 OG SER A 801 -13.433 -9.242 -22.390 1.00 0.00 O ATOM 0 H SER A 801 -12.816 -7.060 -20.307 1.00 0.00 H new ATOM 0 HA SER A 801 -14.333 -9.563 -19.875 1.00 0.00 H new ATOM 0 HB2 SER A 801 -11.688 -9.068 -21.312 1.00 0.00 H new ATOM 0 HB3 SER A 801 -12.501 -10.614 -21.171 1.00 0.00 H new ATOM 0 HG SER A 801 -12.960 -9.561 -23.186 1.00 0.00 H new ATOM 59 N GLY A 802 -13.182 -9.471 -17.586 1.00 0.00 N ATOM 60 CA GLY A 802 -12.476 -9.783 -16.357 1.00 0.00 C ATOM 61 C GLY A 802 -11.548 -8.666 -15.921 1.00 0.00 C ATOM 62 O GLY A 802 -11.217 -7.782 -16.712 1.00 0.00 O ATOM 0 H GLY A 802 -14.187 -9.329 -17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 802 -13.200 -9.979 -15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 802 -11.899 -10.697 -16.495 1.00 0.00 H new ATOM 66 N SER A 803 -11.130 -8.704 -14.660 1.00 0.00 N ATOM 67 CA SER A 803 -10.239 -7.683 -14.120 1.00 0.00 C ATOM 68 C SER A 803 -9.447 -8.227 -12.935 1.00 0.00 C ATOM 69 O SER A 803 -10.001 -8.475 -11.865 1.00 0.00 O ATOM 70 CB SER A 803 -11.040 -6.452 -13.691 1.00 0.00 C ATOM 71 OG SER A 803 -11.505 -5.729 -14.817 1.00 0.00 O ATOM 0 H SER A 803 -11.393 -9.430 -13.994 1.00 0.00 H new ATOM 0 HA SER A 803 -9.538 -7.396 -14.903 1.00 0.00 H new ATOM 0 HB2 SER A 803 -11.887 -6.761 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 803 -10.417 -5.806 -13.072 1.00 0.00 H new ATOM 0 HG SER A 803 -11.386 -6.270 -15.625 1.00 0.00 H new ATOM 77 N GLY A 804 -8.145 -8.409 -13.135 1.00 0.00 N ATOM 78 CA GLY A 804 -7.296 -8.921 -12.075 1.00 0.00 C ATOM 79 C GLY A 804 -7.282 -8.020 -10.856 1.00 0.00 C ATOM 80 O GLY A 804 -7.432 -6.805 -10.974 1.00 0.00 O ATOM 0 H GLY A 804 -7.663 -8.211 -14.012 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -7.641 -9.914 -11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -6.279 -9.034 -12.451 1.00 0.00 H new ATOM 84 N GLU A 805 -7.103 -8.618 -9.682 1.00 0.00 N ATOM 85 CA GLU A 805 -7.072 -7.860 -8.437 1.00 0.00 C ATOM 86 C GLU A 805 -5.712 -7.200 -8.234 1.00 0.00 C ATOM 87 O GLU A 805 -4.670 -7.817 -8.459 1.00 0.00 O ATOM 88 CB GLU A 805 -7.391 -8.773 -7.251 1.00 0.00 C ATOM 89 CG GLU A 805 -7.509 -8.033 -5.928 1.00 0.00 C ATOM 90 CD GLU A 805 -7.595 -8.972 -4.741 1.00 0.00 C ATOM 91 OE1 GLU A 805 -8.473 -9.860 -4.748 1.00 0.00 O ATOM 92 OE2 GLU A 805 -6.783 -8.819 -3.804 1.00 0.00 O ATOM 0 H GLU A 805 -6.977 -9.624 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 805 -7.829 -7.078 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -8.325 -9.298 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -6.612 -9.530 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -6.648 -7.376 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -8.394 -7.398 -5.949 1.00 0.00 H new ATOM 99 N LYS A 806 -5.728 -5.942 -7.809 1.00 0.00 N ATOM 100 CA LYS A 806 -4.497 -5.196 -7.574 1.00 0.00 C ATOM 101 C LYS A 806 -3.875 -5.580 -6.236 1.00 0.00 C ATOM 102 O LYS A 806 -4.568 -5.817 -5.247 1.00 0.00 O ATOM 103 CB LYS A 806 -4.774 -3.692 -7.607 1.00 0.00 C ATOM 104 CG LYS A 806 -4.749 -3.099 -9.005 1.00 0.00 C ATOM 105 CD LYS A 806 -5.950 -3.545 -9.822 1.00 0.00 C ATOM 106 CE LYS A 806 -7.201 -2.765 -9.445 1.00 0.00 C ATOM 107 NZ LYS A 806 -8.429 -3.371 -10.028 1.00 0.00 N ATOM 0 H LYS A 806 -6.581 -5.416 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 806 -3.793 -5.447 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 806 -5.749 -3.501 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 806 -4.033 -3.181 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 806 -4.736 -2.011 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 806 -3.832 -3.399 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 806 -5.741 -3.409 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 806 -6.123 -4.610 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 806 -7.294 -2.730 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 806 -7.105 -1.736 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 806 -9.259 -2.811 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 806 -8.352 -3.382 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 806 -8.535 -4.345 -9.679 1.00 0.00 H new ATOM 121 N PRO A 807 -2.535 -5.643 -6.201 1.00 0.00 N ATOM 122 CA PRO A 807 -1.790 -5.996 -4.989 1.00 0.00 C ATOM 123 C PRO A 807 -1.865 -4.906 -3.925 1.00 0.00 C ATOM 124 O PRO A 807 -1.783 -5.186 -2.729 1.00 0.00 O ATOM 125 CB PRO A 807 -0.353 -6.157 -5.490 1.00 0.00 C ATOM 126 CG PRO A 807 -0.281 -5.308 -6.713 1.00 0.00 C ATOM 127 CD PRO A 807 -1.645 -5.373 -7.343 1.00 0.00 C ATOM 0 HA PRO A 807 -2.191 -6.889 -4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 807 0.367 -5.831 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 807 -0.127 -7.199 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 807 -0.016 -4.281 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 807 0.483 -5.675 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 807 -1.903 -4.438 -7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 807 -1.704 -6.161 -8.094 1.00 0.00 H new ATOM 135 N TYR A 808 -2.020 -3.663 -4.368 1.00 0.00 N ATOM 136 CA TYR A 808 -2.104 -2.531 -3.453 1.00 0.00 C ATOM 137 C TYR A 808 -3.481 -1.878 -3.519 1.00 0.00 C ATOM 138 O TYR A 808 -4.042 -1.695 -4.599 1.00 0.00 O ATOM 139 CB TYR A 808 -1.022 -1.501 -3.783 1.00 0.00 C ATOM 140 CG TYR A 808 0.331 -2.113 -4.064 1.00 0.00 C ATOM 141 CD1 TYR A 808 1.192 -2.451 -3.027 1.00 0.00 C ATOM 142 CD2 TYR A 808 0.751 -2.352 -5.367 1.00 0.00 C ATOM 143 CE1 TYR A 808 2.430 -3.010 -3.279 1.00 0.00 C ATOM 144 CE2 TYR A 808 1.986 -2.912 -5.628 1.00 0.00 C ATOM 145 CZ TYR A 808 2.822 -3.239 -4.581 1.00 0.00 C ATOM 146 OH TYR A 808 4.054 -3.796 -4.837 1.00 0.00 O ATOM 0 H TYR A 808 -2.090 -3.414 -5.355 1.00 0.00 H new ATOM 0 HA TYR A 808 -1.947 -2.902 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 808 -1.337 -0.921 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 808 -0.930 -0.804 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 808 0.888 -2.274 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 808 0.100 -2.095 -6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 808 3.087 -3.266 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 808 2.296 -3.093 -6.647 1.00 0.00 H new ATOM 0 HH TYR A 808 4.175 -3.892 -5.805 1.00 0.00 H new ATOM 156 N GLU A 809 -4.019 -1.528 -2.354 1.00 0.00 N ATOM 157 CA GLU A 809 -5.331 -0.896 -2.279 1.00 0.00 C ATOM 158 C GLU A 809 -5.384 0.113 -1.135 1.00 0.00 C ATOM 159 O GLU A 809 -5.408 -0.263 0.038 1.00 0.00 O ATOM 160 CB GLU A 809 -6.421 -1.952 -2.093 1.00 0.00 C ATOM 161 CG GLU A 809 -7.784 -1.518 -2.606 1.00 0.00 C ATOM 162 CD GLU A 809 -8.885 -2.492 -2.235 1.00 0.00 C ATOM 163 OE1 GLU A 809 -8.807 -3.084 -1.138 1.00 0.00 O ATOM 164 OE2 GLU A 809 -9.824 -2.662 -3.041 1.00 0.00 O ATOM 0 H GLU A 809 -3.567 -1.671 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 809 -5.505 -0.367 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 809 -6.122 -2.865 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 809 -6.502 -2.196 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 809 -8.023 -0.534 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 809 -7.744 -1.417 -3.691 1.00 0.00 H new ATOM 171 N CYS A 810 -5.401 1.395 -1.484 1.00 0.00 N ATOM 172 CA CYS A 810 -5.450 2.458 -0.488 1.00 0.00 C ATOM 173 C CYS A 810 -6.308 2.047 0.705 1.00 0.00 C ATOM 174 O CYS A 810 -7.214 1.225 0.577 1.00 0.00 O ATOM 175 CB CYS A 810 -6.003 3.742 -1.110 1.00 0.00 C ATOM 176 SG CYS A 810 -5.784 5.224 -0.074 1.00 0.00 S ATOM 0 H CYS A 810 -5.382 1.723 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 810 -4.434 2.640 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 810 -5.514 3.908 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 810 -7.066 3.607 -1.312 1.00 0.00 H new ATOM 181 N ASN A 811 -6.015 2.626 1.865 1.00 0.00 N ATOM 182 CA ASN A 811 -6.759 2.320 3.081 1.00 0.00 C ATOM 183 C ASN A 811 -7.719 3.453 3.431 1.00 0.00 C ATOM 184 O ASN A 811 -8.798 3.219 3.974 1.00 0.00 O ATOM 185 CB ASN A 811 -5.795 2.075 4.245 1.00 0.00 C ATOM 186 CG ASN A 811 -5.003 0.793 4.079 1.00 0.00 C ATOM 187 OD1 ASN A 811 -4.113 0.705 3.233 1.00 0.00 O ATOM 188 ND2 ASN A 811 -5.325 -0.210 4.888 1.00 0.00 N ATOM 0 H ASN A 811 -5.268 3.309 1.988 1.00 0.00 H new ATOM 0 HA ASN A 811 -7.342 1.416 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -5.107 2.916 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.358 2.033 5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.827 -1.098 4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -6.070 -0.092 5.575 1.00 0.00 H new ATOM 195 N GLU A 812 -7.317 4.681 3.116 1.00 0.00 N ATOM 196 CA GLU A 812 -8.143 5.849 3.397 1.00 0.00 C ATOM 197 C GLU A 812 -9.480 5.760 2.668 1.00 0.00 C ATOM 198 O GLU A 812 -10.541 5.924 3.271 1.00 0.00 O ATOM 199 CB GLU A 812 -7.410 7.129 2.987 1.00 0.00 C ATOM 200 CG GLU A 812 -6.270 7.503 3.919 1.00 0.00 C ATOM 201 CD GLU A 812 -6.718 7.647 5.360 1.00 0.00 C ATOM 202 OE1 GLU A 812 -7.207 8.738 5.722 1.00 0.00 O ATOM 203 OE2 GLU A 812 -6.579 6.671 6.126 1.00 0.00 O ATOM 0 H GLU A 812 -6.426 4.892 2.667 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.336 5.876 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -7.017 7.005 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -8.124 7.951 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -5.492 6.742 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -5.826 8.441 3.585 1.00 0.00 H new ATOM 210 N CYS A 813 -9.421 5.498 1.367 1.00 0.00 N ATOM 211 CA CYS A 813 -10.626 5.387 0.553 1.00 0.00 C ATOM 212 C CYS A 813 -10.840 3.949 0.091 1.00 0.00 C ATOM 213 O CYS A 813 -11.933 3.399 0.223 1.00 0.00 O ATOM 214 CB CYS A 813 -10.535 6.316 -0.660 1.00 0.00 C ATOM 215 SG CYS A 813 -9.045 6.066 -1.677 1.00 0.00 S ATOM 0 H CYS A 813 -8.551 5.358 0.853 1.00 0.00 H new ATOM 0 HA CYS A 813 -11.477 5.683 1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 813 -11.417 6.169 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 813 -10.557 7.350 -0.315 1.00 0.00 H new ATOM 220 N GLY A 814 -9.787 3.344 -0.451 1.00 0.00 N ATOM 221 CA GLY A 814 -9.880 1.976 -0.924 1.00 0.00 C ATOM 222 C GLY A 814 -9.510 1.842 -2.388 1.00 0.00 C ATOM 223 O GLY A 814 -9.767 0.811 -3.010 1.00 0.00 O ATOM 0 H GLY A 814 -8.871 3.777 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -9.223 1.343 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -10.896 1.611 -0.774 1.00 0.00 H new ATOM 227 N LYS A 815 -8.907 2.888 -2.943 1.00 0.00 N ATOM 228 CA LYS A 815 -8.502 2.885 -4.343 1.00 0.00 C ATOM 229 C LYS A 815 -7.632 1.671 -4.655 1.00 0.00 C ATOM 230 O LYS A 815 -7.277 0.904 -3.761 1.00 0.00 O ATOM 231 CB LYS A 815 -7.741 4.170 -4.678 1.00 0.00 C ATOM 232 CG LYS A 815 -8.644 5.369 -4.906 1.00 0.00 C ATOM 233 CD LYS A 815 -9.233 5.366 -6.306 1.00 0.00 C ATOM 234 CE LYS A 815 -8.176 5.672 -7.357 1.00 0.00 C ATOM 235 NZ LYS A 815 -8.778 5.903 -8.699 1.00 0.00 N ATOM 0 H LYS A 815 -8.688 3.750 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.402 2.833 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.050 4.395 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.139 4.004 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.449 5.364 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.077 6.287 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -9.681 4.394 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -10.033 6.104 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -7.610 6.554 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -7.470 4.844 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -8.025 6.108 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -9.297 5.053 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -9.433 6.710 -8.652 1.00 0.00 H new ATOM 249 N ALA A 816 -7.292 1.503 -5.929 1.00 0.00 N ATOM 250 CA ALA A 816 -6.462 0.385 -6.357 1.00 0.00 C ATOM 251 C ALA A 816 -5.396 0.840 -7.348 1.00 0.00 C ATOM 252 O ALA A 816 -5.658 1.669 -8.220 1.00 0.00 O ATOM 253 CB ALA A 816 -7.324 -0.708 -6.972 1.00 0.00 C ATOM 0 H ALA A 816 -7.579 2.128 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 816 -5.957 -0.017 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 816 -6.690 -1.537 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 816 -8.044 -1.062 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 816 -7.856 -0.309 -7.836 1.00 0.00 H new ATOM 259 N PHE A 817 -4.193 0.294 -7.209 1.00 0.00 N ATOM 260 CA PHE A 817 -3.086 0.646 -8.091 1.00 0.00 C ATOM 261 C PHE A 817 -2.152 -0.543 -8.293 1.00 0.00 C ATOM 262 O PHE A 817 -1.628 -1.105 -7.330 1.00 0.00 O ATOM 263 CB PHE A 817 -2.306 1.830 -7.517 1.00 0.00 C ATOM 264 CG PHE A 817 -3.182 2.964 -7.068 1.00 0.00 C ATOM 265 CD1 PHE A 817 -3.701 2.989 -5.783 1.00 0.00 C ATOM 266 CD2 PHE A 817 -3.487 4.006 -7.929 1.00 0.00 C ATOM 267 CE1 PHE A 817 -4.507 4.031 -5.366 1.00 0.00 C ATOM 268 CE2 PHE A 817 -4.292 5.051 -7.518 1.00 0.00 C ATOM 269 CZ PHE A 817 -4.804 5.063 -6.235 1.00 0.00 C ATOM 0 H PHE A 817 -3.959 -0.394 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 817 -3.501 0.928 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 817 -1.709 1.486 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 817 -1.610 2.196 -8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 817 -3.473 2.185 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 817 -3.091 4.001 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 817 -4.904 4.039 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 817 -4.521 5.857 -8.199 1.00 0.00 H new ATOM 0 HZ PHE A 817 -5.435 5.878 -5.912 1.00 0.00 H new ATOM 279 N ILE A 818 -1.949 -0.922 -9.550 1.00 0.00 N ATOM 280 CA ILE A 818 -1.078 -2.044 -9.879 1.00 0.00 C ATOM 281 C ILE A 818 0.326 -1.831 -9.323 1.00 0.00 C ATOM 282 O ILE A 818 1.044 -2.790 -9.040 1.00 0.00 O ATOM 283 CB ILE A 818 -0.988 -2.259 -11.401 1.00 0.00 C ATOM 284 CG1 ILE A 818 -0.493 -0.986 -12.090 1.00 0.00 C ATOM 285 CG2 ILE A 818 -2.341 -2.678 -11.958 1.00 0.00 C ATOM 286 CD1 ILE A 818 0.085 -1.230 -13.466 1.00 0.00 C ATOM 0 H ILE A 818 -2.376 -0.469 -10.358 1.00 0.00 H new ATOM 0 HA ILE A 818 -1.517 -2.930 -9.421 1.00 0.00 H new ATOM 0 HB ILE A 818 -0.273 -3.057 -11.598 1.00 0.00 H new ATOM 0 HG12 ILE A 818 -1.321 -0.282 -12.172 1.00 0.00 H new ATOM 0 HG13 ILE A 818 0.265 -0.515 -11.464 1.00 0.00 H new ATOM 0 HG21 ILE A 818 -2.261 -2.826 -13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 818 -2.656 -3.609 -11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 818 -3.076 -1.900 -11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 818 0.416 -0.284 -13.895 1.00 0.00 H new ATOM 0 HD12 ILE A 818 0.934 -1.910 -13.389 1.00 0.00 H new ATOM 0 HD13 ILE A 818 -0.677 -1.672 -14.108 1.00 0.00 H new ATOM 298 N TRP A 819 0.709 -0.569 -9.167 1.00 0.00 N ATOM 299 CA TRP A 819 2.027 -0.230 -8.643 1.00 0.00 C ATOM 300 C TRP A 819 1.920 0.359 -7.241 1.00 0.00 C ATOM 301 O TRP A 819 0.873 0.878 -6.853 1.00 0.00 O ATOM 302 CB TRP A 819 2.730 0.760 -9.573 1.00 0.00 C ATOM 303 CG TRP A 819 3.372 0.106 -10.759 1.00 0.00 C ATOM 304 CD1 TRP A 819 2.927 -0.998 -11.428 1.00 0.00 C ATOM 305 CD2 TRP A 819 4.577 0.516 -11.415 1.00 0.00 C ATOM 306 NE1 TRP A 819 3.783 -1.300 -12.460 1.00 0.00 N ATOM 307 CE2 TRP A 819 4.803 -0.385 -12.474 1.00 0.00 C ATOM 308 CE3 TRP A 819 5.487 1.558 -11.212 1.00 0.00 C ATOM 309 CZ2 TRP A 819 5.900 -0.275 -13.324 1.00 0.00 C ATOM 310 CZ3 TRP A 819 6.575 1.666 -12.057 1.00 0.00 C ATOM 311 CH2 TRP A 819 6.774 0.754 -13.102 1.00 0.00 C ATOM 0 H TRP A 819 0.126 0.236 -9.396 1.00 0.00 H new ATOM 0 HA TRP A 819 2.615 -1.146 -8.588 1.00 0.00 H new ATOM 0 HB2 TRP A 819 2.007 1.497 -9.921 1.00 0.00 H new ATOM 0 HB3 TRP A 819 3.490 1.301 -9.009 1.00 0.00 H new ATOM 0 HD1 TRP A 819 2.033 -1.553 -11.182 1.00 0.00 H new ATOM 0 HE1 TRP A 819 3.676 -2.079 -13.110 1.00 0.00 H new ATOM 0 HE3 TRP A 819 5.342 2.266 -10.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 6.056 -0.977 -14.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 7.284 2.467 -11.909 1.00 0.00 H new ATOM 0 HH2 TRP A 819 7.634 0.866 -13.745 1.00 0.00 H new ATOM 322 N LYS A 820 3.009 0.276 -6.484 1.00 0.00 N ATOM 323 CA LYS A 820 3.039 0.803 -5.125 1.00 0.00 C ATOM 324 C LYS A 820 3.152 2.324 -5.133 1.00 0.00 C ATOM 325 O LYS A 820 2.382 3.017 -4.468 1.00 0.00 O ATOM 326 CB LYS A 820 4.210 0.198 -4.347 1.00 0.00 C ATOM 327 CG LYS A 820 4.490 0.898 -3.028 1.00 0.00 C ATOM 328 CD LYS A 820 3.335 0.737 -2.055 1.00 0.00 C ATOM 329 CE LYS A 820 3.500 -0.507 -1.195 1.00 0.00 C ATOM 330 NZ LYS A 820 2.415 -0.630 -0.182 1.00 0.00 N ATOM 0 H LYS A 820 3.883 -0.152 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 820 2.105 0.529 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 820 4.002 -0.854 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 820 5.106 0.237 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 820 5.399 0.491 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 820 4.670 1.958 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 820 3.271 1.617 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 820 2.398 0.677 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 820 3.503 -1.391 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 820 4.466 -0.474 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 2.564 -1.490 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 2.427 0.201 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 1.495 -0.687 -0.664 1.00 0.00 H new ATOM 344 N SER A 821 4.115 2.837 -5.891 1.00 0.00 N ATOM 345 CA SER A 821 4.330 4.277 -5.984 1.00 0.00 C ATOM 346 C SER A 821 3.006 5.013 -6.160 1.00 0.00 C ATOM 347 O SER A 821 2.682 5.923 -5.395 1.00 0.00 O ATOM 348 CB SER A 821 5.265 4.600 -7.151 1.00 0.00 C ATOM 349 OG SER A 821 6.596 4.206 -6.862 1.00 0.00 O ATOM 0 H SER A 821 4.759 2.277 -6.450 1.00 0.00 H new ATOM 0 HA SER A 821 4.791 4.612 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 821 4.919 4.091 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 821 5.236 5.670 -7.359 1.00 0.00 H new ATOM 0 HG SER A 821 7.174 4.421 -7.624 1.00 0.00 H new ATOM 355 N LEU A 822 2.244 4.614 -7.172 1.00 0.00 N ATOM 356 CA LEU A 822 0.954 5.235 -7.450 1.00 0.00 C ATOM 357 C LEU A 822 0.113 5.335 -6.181 1.00 0.00 C ATOM 358 O LEU A 822 -0.599 6.318 -5.971 1.00 0.00 O ATOM 359 CB LEU A 822 0.199 4.436 -8.514 1.00 0.00 C ATOM 360 CG LEU A 822 0.985 4.097 -9.781 1.00 0.00 C ATOM 361 CD1 LEU A 822 0.150 3.230 -10.711 1.00 0.00 C ATOM 362 CD2 LEU A 822 1.429 5.368 -10.490 1.00 0.00 C ATOM 0 H LEU A 822 2.497 3.863 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 822 1.137 6.243 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 822 -0.146 3.505 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 822 -0.689 4.999 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 822 1.874 3.535 -9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 822 0.726 2.999 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 822 -0.117 2.304 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 822 -0.757 3.765 -10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 822 1.987 5.107 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 822 0.553 5.957 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 822 2.065 5.952 -9.825 1.00 0.00 H new ATOM 374 N LEU A 823 0.200 4.312 -5.338 1.00 0.00 N ATOM 375 CA LEU A 823 -0.551 4.285 -4.087 1.00 0.00 C ATOM 376 C LEU A 823 0.032 5.272 -3.081 1.00 0.00 C ATOM 377 O LEU A 823 -0.694 5.849 -2.271 1.00 0.00 O ATOM 378 CB LEU A 823 -0.546 2.874 -3.497 1.00 0.00 C ATOM 379 CG LEU A 823 -1.156 2.728 -2.103 1.00 0.00 C ATOM 380 CD1 LEU A 823 -2.674 2.681 -2.186 1.00 0.00 C ATOM 381 CD2 LEU A 823 -0.619 1.482 -1.414 1.00 0.00 C ATOM 0 H LEU A 823 0.783 3.490 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 823 -1.579 4.578 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -1.084 2.215 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 823 0.485 2.521 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 823 -0.872 3.598 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -3.090 2.577 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -3.042 3.602 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -2.979 1.830 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -1.064 1.394 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -0.872 0.602 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 823 0.464 1.557 -1.320 1.00 0.00 H new ATOM 393 N ILE A 824 1.346 5.461 -3.139 1.00 0.00 N ATOM 394 CA ILE A 824 2.025 6.381 -2.234 1.00 0.00 C ATOM 395 C ILE A 824 1.643 7.827 -2.531 1.00 0.00 C ATOM 396 O ILE A 824 1.133 8.536 -1.664 1.00 0.00 O ATOM 397 CB ILE A 824 3.556 6.236 -2.329 1.00 0.00 C ATOM 398 CG1 ILE A 824 3.983 4.826 -1.916 1.00 0.00 C ATOM 399 CG2 ILE A 824 4.241 7.279 -1.459 1.00 0.00 C ATOM 400 CD1 ILE A 824 5.424 4.509 -2.250 1.00 0.00 C ATOM 0 H ILE A 824 1.961 4.990 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 824 1.705 6.124 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 824 3.859 6.398 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 824 3.833 4.709 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 824 3.336 4.100 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 824 5.322 7.164 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 824 3.957 8.276 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 824 3.935 7.145 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 824 5.657 3.494 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 824 5.575 4.593 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 824 6.080 5.212 -1.736 1.00 0.00 H new ATOM 412 N VAL A 825 1.892 8.258 -3.764 1.00 0.00 N ATOM 413 CA VAL A 825 1.572 9.619 -4.177 1.00 0.00 C ATOM 414 C VAL A 825 0.078 9.894 -4.051 1.00 0.00 C ATOM 415 O VAL A 825 -0.366 11.036 -4.170 1.00 0.00 O ATOM 416 CB VAL A 825 2.010 9.882 -5.630 1.00 0.00 C ATOM 417 CG1 VAL A 825 2.043 11.375 -5.916 1.00 0.00 C ATOM 418 CG2 VAL A 825 3.367 9.249 -5.899 1.00 0.00 C ATOM 0 H VAL A 825 2.314 7.684 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 825 2.119 10.288 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 825 1.282 9.425 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 825 2.355 11.541 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 825 1.049 11.796 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 825 2.749 11.859 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 825 3.662 9.444 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 825 4.108 9.676 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 825 3.305 8.173 -5.737 1.00 0.00 H new ATOM 428 N HIS A 826 -0.694 8.839 -3.809 1.00 0.00 N ATOM 429 CA HIS A 826 -2.140 8.968 -3.665 1.00 0.00 C ATOM 430 C HIS A 826 -2.534 9.059 -2.194 1.00 0.00 C ATOM 431 O HIS A 826 -3.147 10.036 -1.765 1.00 0.00 O ATOM 432 CB HIS A 826 -2.846 7.781 -4.321 1.00 0.00 C ATOM 433 CG HIS A 826 -4.285 7.648 -3.928 1.00 0.00 C ATOM 434 ND1 HIS A 826 -5.322 8.159 -4.680 1.00 0.00 N ATOM 435 CD2 HIS A 826 -4.858 7.055 -2.854 1.00 0.00 C ATOM 436 CE1 HIS A 826 -6.470 7.888 -4.085 1.00 0.00 C ATOM 437 NE2 HIS A 826 -6.216 7.218 -2.975 1.00 0.00 N ATOM 0 H HIS A 826 -0.343 7.887 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 826 -2.449 9.887 -4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 826 -2.782 7.884 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 826 -2.319 6.864 -4.056 1.00 0.00 H new ATOM 0 HD1 HIS A 826 -5.219 8.667 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 826 -4.343 6.548 -2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 826 -7.449 8.167 -4.445 1.00 0.00 H new ATOM 445 N GLU A 827 -2.178 8.033 -1.426 1.00 0.00 N ATOM 446 CA GLU A 827 -2.497 7.998 -0.003 1.00 0.00 C ATOM 447 C GLU A 827 -2.294 9.370 0.633 1.00 0.00 C ATOM 448 O GLU A 827 -3.062 9.783 1.502 1.00 0.00 O ATOM 449 CB GLU A 827 -1.629 6.959 0.711 1.00 0.00 C ATOM 450 CG GLU A 827 -2.082 5.527 0.482 1.00 0.00 C ATOM 451 CD GLU A 827 -1.273 4.525 1.281 1.00 0.00 C ATOM 452 OE1 GLU A 827 -0.084 4.797 1.545 1.00 0.00 O ATOM 453 OE2 GLU A 827 -1.831 3.467 1.643 1.00 0.00 O ATOM 0 H GLU A 827 -1.669 7.216 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 827 -3.545 7.719 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -0.598 7.064 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -1.635 7.166 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.134 5.435 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.002 5.290 -0.579 1.00 0.00 H new ATOM 460 N ARG A 828 -1.254 10.072 0.195 1.00 0.00 N ATOM 461 CA ARG A 828 -0.948 11.396 0.722 1.00 0.00 C ATOM 462 C ARG A 828 -2.123 12.348 0.515 1.00 0.00 C ATOM 463 O ARG A 828 -2.466 13.131 1.401 1.00 0.00 O ATOM 464 CB ARG A 828 0.304 11.960 0.049 1.00 0.00 C ATOM 465 CG ARG A 828 0.052 12.510 -1.345 1.00 0.00 C ATOM 466 CD ARG A 828 1.269 13.245 -1.883 1.00 0.00 C ATOM 467 NE ARG A 828 1.305 14.638 -1.447 1.00 0.00 N ATOM 468 CZ ARG A 828 2.018 15.580 -2.054 1.00 0.00 C ATOM 469 NH1 ARG A 828 2.750 15.280 -3.117 1.00 0.00 N ATOM 470 NH2 ARG A 828 1.998 16.826 -1.597 1.00 0.00 N ATOM 0 H ARG A 828 -0.609 9.745 -0.524 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.764 11.300 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 828 0.716 12.752 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 828 1.059 11.176 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.208 11.693 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.802 13.187 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 828 2.175 12.738 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 828 1.263 13.206 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 828 0.752 14.902 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 828 2.767 14.324 -3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 828 3.297 16.005 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 828 1.435 17.060 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 828 2.546 17.549 -2.063 1.00 0.00 H new ATOM 484 N THR A 829 -2.735 12.276 -0.663 1.00 0.00 N ATOM 485 CA THR A 829 -3.869 13.132 -0.988 1.00 0.00 C ATOM 486 C THR A 829 -4.855 13.204 0.173 1.00 0.00 C ATOM 487 O THR A 829 -5.621 14.160 0.292 1.00 0.00 O ATOM 488 CB THR A 829 -4.608 12.633 -2.244 1.00 0.00 C ATOM 489 OG1 THR A 829 -5.450 13.669 -2.762 1.00 0.00 O ATOM 490 CG2 THR A 829 -5.445 11.403 -1.926 1.00 0.00 C ATOM 0 H THR A 829 -2.464 11.634 -1.408 1.00 0.00 H new ATOM 0 HA THR A 829 -3.468 14.127 -1.182 1.00 0.00 H new ATOM 0 HB THR A 829 -3.864 12.363 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 829 -5.915 13.344 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 829 -5.958 11.069 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 829 -4.797 10.606 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 829 -6.181 11.651 -1.161 1.00 0.00 H new ATOM 498 N HIS A 830 -4.830 12.186 1.028 1.00 0.00 N ATOM 499 CA HIS A 830 -5.721 12.134 2.181 1.00 0.00 C ATOM 500 C HIS A 830 -5.129 12.902 3.360 1.00 0.00 C ATOM 501 O HIS A 830 -5.238 12.474 4.508 1.00 0.00 O ATOM 502 CB HIS A 830 -5.986 10.683 2.583 1.00 0.00 C ATOM 503 CG HIS A 830 -6.727 9.900 1.544 1.00 0.00 C ATOM 504 ND1 HIS A 830 -8.053 10.123 1.237 1.00 0.00 N ATOM 505 CD2 HIS A 830 -6.321 8.891 0.739 1.00 0.00 C ATOM 506 CE1 HIS A 830 -8.430 9.284 0.289 1.00 0.00 C ATOM 507 NE2 HIS A 830 -7.397 8.526 -0.032 1.00 0.00 N ATOM 0 H HIS A 830 -4.202 11.386 0.944 1.00 0.00 H new ATOM 0 HA HIS A 830 -6.664 12.603 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 830 -5.035 10.191 2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 830 -6.557 10.670 3.512 1.00 0.00 H new ATOM 0 HD1 HIS A 830 -8.649 10.826 1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 830 -5.334 8.454 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 830 -9.415 9.227 -0.149 1.00 0.00 H new ATOM 515 N ALA A 831 -4.502 14.036 3.066 1.00 0.00 N ATOM 516 CA ALA A 831 -3.894 14.863 4.101 1.00 0.00 C ATOM 517 C ALA A 831 -4.251 16.333 3.909 1.00 0.00 C ATOM 518 O ALA A 831 -3.579 17.053 3.173 1.00 0.00 O ATOM 519 CB ALA A 831 -2.384 14.680 4.104 1.00 0.00 C ATOM 0 H ALA A 831 -4.402 14.403 2.120 1.00 0.00 H new ATOM 0 HA ALA A 831 -4.289 14.543 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 831 -1.943 15.304 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 831 -2.145 13.634 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 831 -1.980 14.971 3.134 1.00 0.00 H new ATOM 525 N GLY A 832 -5.313 16.772 4.577 1.00 0.00 N ATOM 526 CA GLY A 832 -5.741 18.154 4.465 1.00 0.00 C ATOM 527 C GLY A 832 -6.999 18.307 3.633 1.00 0.00 C ATOM 528 O GLY A 832 -7.103 17.743 2.544 1.00 0.00 O ATOM 0 H GLY A 832 -5.885 16.195 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 832 -5.917 18.558 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 832 -4.940 18.744 4.019 1.00 0.00 H new ATOM 532 N VAL A 833 -7.958 19.070 4.148 1.00 0.00 N ATOM 533 CA VAL A 833 -9.215 19.295 3.446 1.00 0.00 C ATOM 534 C VAL A 833 -9.094 20.448 2.456 1.00 0.00 C ATOM 535 O VAL A 833 -9.156 21.616 2.838 1.00 0.00 O ATOM 536 CB VAL A 833 -10.362 19.596 4.429 1.00 0.00 C ATOM 537 CG1 VAL A 833 -11.656 19.861 3.676 1.00 0.00 C ATOM 538 CG2 VAL A 833 -10.533 18.449 5.414 1.00 0.00 C ATOM 0 H VAL A 833 -7.888 19.543 5.049 1.00 0.00 H new ATOM 0 HA VAL A 833 -9.442 18.377 2.904 1.00 0.00 H new ATOM 0 HB VAL A 833 -10.108 20.494 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 833 -12.454 20.072 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -11.524 20.718 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -11.919 18.984 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 833 -11.347 18.678 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -10.764 17.533 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -9.610 18.313 5.978 1.00 0.00 H new ATOM 548 N SER A 834 -8.920 20.111 1.182 1.00 0.00 N ATOM 549 CA SER A 834 -8.786 21.119 0.136 1.00 0.00 C ATOM 550 C SER A 834 -9.727 20.822 -1.028 1.00 0.00 C ATOM 551 O SER A 834 -10.416 19.803 -1.040 1.00 0.00 O ATOM 552 CB SER A 834 -7.341 21.177 -0.364 1.00 0.00 C ATOM 553 OG SER A 834 -7.113 22.347 -1.129 1.00 0.00 O ATOM 0 H SER A 834 -8.868 19.148 0.849 1.00 0.00 H new ATOM 0 HA SER A 834 -9.055 22.086 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 834 -6.658 21.155 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 834 -7.126 20.296 -0.969 1.00 0.00 H new ATOM 0 HG SER A 834 -6.182 22.361 -1.435 1.00 0.00 H new ATOM 559 N GLY A 835 -9.751 21.723 -2.006 1.00 0.00 N ATOM 560 CA GLY A 835 -10.610 21.541 -3.161 1.00 0.00 C ATOM 561 C GLY A 835 -12.080 21.522 -2.793 1.00 0.00 C ATOM 562 O GLY A 835 -12.468 21.054 -1.722 1.00 0.00 O ATOM 0 H GLY A 835 -9.191 22.575 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 835 -10.428 22.344 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -10.351 20.606 -3.659 1.00 0.00 H new ATOM 566 N PRO A 836 -12.927 22.043 -3.693 1.00 0.00 N ATOM 567 CA PRO A 836 -14.376 22.097 -3.479 1.00 0.00 C ATOM 568 C PRO A 836 -15.021 20.716 -3.526 1.00 0.00 C ATOM 569 O PRO A 836 -14.977 20.035 -4.551 1.00 0.00 O ATOM 570 CB PRO A 836 -14.874 22.960 -4.641 1.00 0.00 C ATOM 571 CG PRO A 836 -13.846 22.793 -5.705 1.00 0.00 C ATOM 572 CD PRO A 836 -12.534 22.619 -4.990 1.00 0.00 C ATOM 0 HA PRO A 836 -14.628 22.495 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 836 -15.856 22.633 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 836 -14.971 24.005 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 836 -14.068 21.928 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 836 -13.820 23.662 -6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 836 -11.863 21.957 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 836 -12.014 23.569 -4.867 1.00 0.00 H new ATOM 580 N SER A 837 -15.619 20.309 -2.412 1.00 0.00 N ATOM 581 CA SER A 837 -16.270 19.007 -2.325 1.00 0.00 C ATOM 582 C SER A 837 -17.596 19.111 -1.577 1.00 0.00 C ATOM 583 O SER A 837 -17.687 19.771 -0.542 1.00 0.00 O ATOM 584 CB SER A 837 -15.355 18.000 -1.626 1.00 0.00 C ATOM 585 OG SER A 837 -14.116 17.880 -2.304 1.00 0.00 O ATOM 0 H SER A 837 -15.667 20.862 -1.556 1.00 0.00 H new ATOM 0 HA SER A 837 -16.471 18.661 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 837 -15.181 18.315 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 837 -15.845 17.027 -1.583 1.00 0.00 H new ATOM 0 HG SER A 837 -13.549 17.232 -1.837 1.00 0.00 H new ATOM 591 N SER A 838 -18.622 18.455 -2.110 1.00 0.00 N ATOM 592 CA SER A 838 -19.944 18.477 -1.497 1.00 0.00 C ATOM 593 C SER A 838 -19.841 18.370 0.022 1.00 0.00 C ATOM 594 O SER A 838 -20.435 19.162 0.753 1.00 0.00 O ATOM 595 CB SER A 838 -20.801 17.333 -2.042 1.00 0.00 C ATOM 596 OG SER A 838 -21.981 17.169 -1.274 1.00 0.00 O ATOM 0 H SER A 838 -18.563 17.902 -2.965 1.00 0.00 H new ATOM 0 HA SER A 838 -20.417 19.427 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 838 -21.064 17.534 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 838 -20.226 16.407 -2.033 1.00 0.00 H new ATOM 0 HG SER A 838 -22.512 16.433 -1.643 1.00 0.00 H new ATOM 602 N GLY A 839 -19.080 17.385 0.489 1.00 0.00 N ATOM 603 CA GLY A 839 -18.911 17.192 1.918 1.00 0.00 C ATOM 604 C GLY A 839 -19.706 16.012 2.441 1.00 0.00 C ATOM 605 O GLY A 839 -19.793 14.974 1.786 1.00 0.00 O ATOM 0 H GLY A 839 -18.578 16.717 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 839 -17.854 17.041 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 839 -19.220 18.096 2.443 1.00 0.00 H new TER 609 GLY A 839 HETATM 610 ZN ZN A 201 -7.102 6.906 -1.097 1.00 0.00 ZN