USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 787 HIS HD1 : A 787 HIS ND1 : A 843 ZNZN :(H bumps) USER MOD Set 1.1: A 755 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 831 MET CE :methyl -165:sc=-0.00789 (180deg=-0.252) USER MOD Set 2.1: A 775 HIS : no HE2:sc= 0.79 K(o=1.7,f=-4) USER MOD Set 2.2: A 815 LYS NZ :NH3+ -166:sc= 0.876 (180deg=0) USER MOD Set 3.1: A 767 THR OG1 : rot 81:sc= 1.29 USER MOD Set 3.2: A 774 THR OG1 : rot -73:sc= 0.72 USER MOD Set 3.3: A 792 HIS : no HE2:sc= 0.242 K(o=2.3,f=-0.27) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 GLY N :NH3+ -112:sc= 0.079 (180deg=0) USER MOD Single : A 756 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 757 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 763 CYS SG : rot 180:sc= -0.212 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot -160:sc= 0.245 USER MOD Single : A 772 LYS NZ :NH3+ -169:sc= 0.781 (180deg=0.699) USER MOD Single : A 773 TYR OH : rot 30:sc= -0.0368 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc=-0.00251 X(o=-0.0025,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 805 ASN : amide:sc= 1.48 K(o=1.5,f=-2.1!) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 809 SER OG : rot 180:sc= -0.047 USER MOD Single : A 816 LYS NZ :NH3+ 179:sc= 0 (180deg=-9.16e-05) USER MOD Single : A 817 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00441) USER MOD Single : A 833 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 835 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0.99) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 14.978 2.652 8.581 1.00 0.00 N ATOM 2 CA GLY A -4 16.234 1.921 8.875 1.00 0.00 C ATOM 3 C GLY A -4 16.697 1.081 7.686 1.00 0.00 C ATOM 4 O GLY A -4 15.888 0.792 6.792 1.00 0.00 O ATOM 0 H1 GLY A -4 15.172 3.673 8.540 1.00 0.00 H new ATOM 0 H2 GLY A -4 14.597 2.334 7.667 1.00 0.00 H new ATOM 0 H3 GLY A -4 14.282 2.462 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A -4 17.015 2.633 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A -4 16.084 1.274 9.740 1.00 0.00 H new ATOM 10 N PRO A -3 17.978 0.651 7.657 1.00 0.00 N ATOM 11 CA PRO A -3 18.570 -0.085 6.534 1.00 0.00 C ATOM 12 C PRO A -3 18.109 -1.552 6.438 1.00 0.00 C ATOM 13 O PRO A -3 18.263 -2.162 5.382 1.00 0.00 O ATOM 14 CB PRO A -3 20.084 -0.002 6.770 1.00 0.00 C ATOM 15 CG PRO A -3 20.205 0.070 8.290 1.00 0.00 C ATOM 16 CD PRO A -3 18.984 0.898 8.685 1.00 0.00 C ATOM 0 HA PRO A -3 18.256 0.353 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A -3 20.601 -0.873 6.367 1.00 0.00 H new ATOM 0 HB3 PRO A -3 20.517 0.876 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A -3 20.187 -0.920 8.745 1.00 0.00 H new ATOM 0 HG3 PRO A -3 21.135 0.547 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A -3 18.616 0.605 9.668 1.00 0.00 H new ATOM 0 HD3 PRO A -3 19.233 1.958 8.740 1.00 0.00 H new ATOM 24 N MET A -2 17.536 -2.119 7.510 1.00 0.00 N ATOM 25 CA MET A -2 17.099 -3.528 7.575 1.00 0.00 C ATOM 26 C MET A -2 15.726 -3.800 6.921 1.00 0.00 C ATOM 27 O MET A -2 15.269 -4.945 6.897 1.00 0.00 O ATOM 28 CB MET A -2 17.110 -3.996 9.044 1.00 0.00 C ATOM 29 CG MET A -2 18.491 -3.888 9.714 1.00 0.00 C ATOM 30 SD MET A -2 19.791 -4.886 8.941 1.00 0.00 S ATOM 31 CE MET A -2 21.183 -4.398 9.990 1.00 0.00 C ATOM 0 H MET A -2 17.359 -1.605 8.373 1.00 0.00 H new ATOM 0 HA MET A -2 17.811 -4.105 6.985 1.00 0.00 H new ATOM 0 HB2 MET A -2 16.393 -3.403 9.611 1.00 0.00 H new ATOM 0 HB3 MET A -2 16.773 -5.032 9.089 1.00 0.00 H new ATOM 0 HG2 MET A -2 18.802 -2.843 9.707 1.00 0.00 H new ATOM 0 HG3 MET A -2 18.397 -4.185 10.758 1.00 0.00 H new ATOM 0 HE1 MET A -2 22.084 -4.917 9.663 1.00 0.00 H new ATOM 0 HE2 MET A -2 21.336 -3.321 9.914 1.00 0.00 H new ATOM 0 HE3 MET A -2 20.968 -4.662 11.026 1.00 0.00 H new ATOM 41 N GLY A -1 15.063 -2.768 6.382 1.00 0.00 N ATOM 42 CA GLY A -1 13.768 -2.873 5.691 1.00 0.00 C ATOM 43 C GLY A -1 13.860 -3.526 4.307 1.00 0.00 C ATOM 44 O GLY A -1 14.934 -3.583 3.705 1.00 0.00 O ATOM 0 H GLY A -1 15.420 -1.813 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.081 -3.450 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A -1 13.341 -1.876 5.585 1.00 0.00 H new ATOM 48 N MET A 755 12.724 -4.004 3.799 1.00 0.00 N ATOM 49 CA MET A 755 12.630 -4.648 2.476 1.00 0.00 C ATOM 50 C MET A 755 12.909 -3.658 1.337 1.00 0.00 C ATOM 51 O MET A 755 12.436 -2.520 1.363 1.00 0.00 O ATOM 52 CB MET A 755 11.249 -5.313 2.288 1.00 0.00 C ATOM 53 CG MET A 755 11.019 -6.501 3.233 1.00 0.00 C ATOM 54 SD MET A 755 12.072 -7.941 2.909 1.00 0.00 S ATOM 55 CE MET A 755 11.455 -9.049 4.207 1.00 0.00 C ATOM 0 H MET A 755 11.833 -3.958 4.293 1.00 0.00 H new ATOM 0 HA MET A 755 13.399 -5.420 2.436 1.00 0.00 H new ATOM 0 HB2 MET A 755 10.469 -4.570 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 755 11.153 -5.653 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 755 11.185 -6.170 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 755 9.975 -6.808 3.162 1.00 0.00 H new ATOM 0 HE1 MET A 755 12.051 -9.961 4.220 1.00 0.00 H new ATOM 0 HE2 MET A 755 11.529 -8.553 5.175 1.00 0.00 H new ATOM 0 HE3 MET A 755 10.413 -9.299 4.007 1.00 0.00 H new ATOM 65 N GLN A 756 13.648 -4.104 0.318 1.00 0.00 N ATOM 66 CA GLN A 756 13.990 -3.337 -0.891 1.00 0.00 C ATOM 67 C GLN A 756 13.389 -3.968 -2.167 1.00 0.00 C ATOM 68 O GLN A 756 13.770 -3.611 -3.281 1.00 0.00 O ATOM 69 CB GLN A 756 15.526 -3.211 -0.987 1.00 0.00 C ATOM 70 CG GLN A 756 16.131 -2.422 0.187 1.00 0.00 C ATOM 71 CD GLN A 756 17.639 -2.178 0.033 1.00 0.00 C ATOM 72 OE1 GLN A 756 18.395 -2.992 -0.486 1.00 0.00 O ATOM 73 NE2 GLN A 756 18.143 -1.041 0.479 1.00 0.00 N ATOM 0 H GLN A 756 14.041 -5.045 0.308 1.00 0.00 H new ATOM 0 HA GLN A 756 13.552 -2.342 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 756 15.967 -4.207 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 756 15.788 -2.719 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 756 15.621 -1.463 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 756 15.949 -2.965 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 756 17.533 -0.349 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 756 19.142 -0.855 0.388 1.00 0.00 H new ATOM 82 N SER A 757 12.443 -4.905 -2.031 1.00 0.00 N ATOM 83 CA SER A 757 11.793 -5.632 -3.137 1.00 0.00 C ATOM 84 C SER A 757 10.422 -6.211 -2.707 1.00 0.00 C ATOM 85 O SER A 757 9.989 -6.040 -1.562 1.00 0.00 O ATOM 86 CB SER A 757 12.736 -6.731 -3.666 1.00 0.00 C ATOM 87 OG SER A 757 12.291 -7.233 -4.924 1.00 0.00 O ATOM 0 H SER A 757 12.094 -5.191 -1.116 1.00 0.00 H new ATOM 0 HA SER A 757 11.595 -4.930 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 757 13.744 -6.330 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 757 12.789 -7.546 -2.945 1.00 0.00 H new ATOM 0 HG SER A 757 12.908 -7.927 -5.236 1.00 0.00 H new ATOM 93 N ILE A 758 9.716 -6.879 -3.626 1.00 0.00 N ATOM 94 CA ILE A 758 8.362 -7.432 -3.426 1.00 0.00 C ATOM 95 C ILE A 758 8.432 -8.761 -2.641 1.00 0.00 C ATOM 96 O ILE A 758 9.354 -9.563 -2.827 1.00 0.00 O ATOM 97 CB ILE A 758 7.610 -7.595 -4.778 1.00 0.00 C ATOM 98 CG1 ILE A 758 7.731 -6.381 -5.743 1.00 0.00 C ATOM 99 CG2 ILE A 758 6.108 -7.801 -4.508 1.00 0.00 C ATOM 100 CD1 ILE A 758 8.954 -6.409 -6.675 1.00 0.00 C ATOM 0 H ILE A 758 10.079 -7.058 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 758 7.787 -6.723 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 758 8.082 -8.451 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 758 6.829 -6.330 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 758 7.766 -5.467 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 758 5.580 -7.915 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 758 5.967 -8.697 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 758 5.712 -6.937 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 758 8.949 -5.522 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 758 9.866 -6.424 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 758 8.915 -7.301 -7.300 1.00 0.00 H new ATOM 112 N ARG A 759 7.446 -9.010 -1.769 1.00 0.00 N ATOM 113 CA ARG A 759 7.364 -10.162 -0.839 1.00 0.00 C ATOM 114 C ARG A 759 6.955 -11.501 -1.486 1.00 0.00 C ATOM 115 O ARG A 759 6.091 -12.226 -0.990 1.00 0.00 O ATOM 116 CB ARG A 759 6.503 -9.754 0.369 1.00 0.00 C ATOM 117 CG ARG A 759 5.012 -9.530 0.062 1.00 0.00 C ATOM 118 CD ARG A 759 4.408 -8.575 1.097 1.00 0.00 C ATOM 119 NE ARG A 759 2.939 -8.539 0.998 1.00 0.00 N ATOM 120 CZ ARG A 759 2.073 -8.396 1.999 1.00 0.00 C ATOM 121 NH1 ARG A 759 2.449 -8.274 3.254 1.00 0.00 N ATOM 122 NH2 ARG A 759 0.783 -8.367 1.745 1.00 0.00 N ATOM 0 H ARG A 759 6.642 -8.389 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 759 8.373 -10.390 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.589 -10.526 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 759 6.912 -8.838 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 759 4.895 -9.117 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.481 -10.482 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 759 4.700 -8.890 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.809 -7.573 0.948 1.00 0.00 H new ATOM 0 HE ARG A 759 2.543 -8.634 0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 759 3.441 -8.287 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 759 1.749 -8.167 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.450 -8.454 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.115 -8.258 2.508 1.00 0.00 H new ATOM 136 N GLU A 760 7.584 -11.824 -2.606 1.00 0.00 N ATOM 137 CA GLU A 760 7.407 -13.034 -3.424 1.00 0.00 C ATOM 138 C GLU A 760 8.622 -13.265 -4.339 1.00 0.00 C ATOM 139 O GLU A 760 9.386 -12.337 -4.621 1.00 0.00 O ATOM 140 CB GLU A 760 6.083 -12.997 -4.206 1.00 0.00 C ATOM 141 CG GLU A 760 5.814 -11.723 -5.023 1.00 0.00 C ATOM 142 CD GLU A 760 4.405 -11.715 -5.631 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.418 -11.793 -4.862 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.261 -11.627 -6.871 1.00 0.00 O ATOM 0 H GLU A 760 8.289 -11.204 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 760 7.346 -13.890 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.061 -13.850 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.264 -13.131 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.937 -10.849 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.553 -11.641 -5.820 1.00 0.00 H new ATOM 151 N GLN A 761 8.822 -14.510 -4.785 1.00 0.00 N ATOM 152 CA GLN A 761 10.052 -14.942 -5.458 1.00 0.00 C ATOM 153 C GLN A 761 9.801 -16.048 -6.497 1.00 0.00 C ATOM 154 O GLN A 761 9.003 -16.956 -6.279 1.00 0.00 O ATOM 155 CB GLN A 761 11.090 -15.385 -4.406 1.00 0.00 C ATOM 156 CG GLN A 761 10.647 -16.612 -3.585 1.00 0.00 C ATOM 157 CD GLN A 761 11.590 -16.898 -2.417 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.396 -17.818 -2.428 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.533 -16.113 -1.359 1.00 0.00 N ATOM 0 H GLN A 761 8.129 -15.252 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 761 10.445 -14.091 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.030 -15.614 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.285 -14.555 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.639 -16.447 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.603 -17.485 -4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.867 -15.341 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.155 -16.278 -0.567 1.00 0.00 H new ATOM 168 N SER A 762 10.486 -15.969 -7.640 1.00 0.00 N ATOM 169 CA SER A 762 10.296 -16.879 -8.781 1.00 0.00 C ATOM 170 C SER A 762 10.894 -18.278 -8.545 1.00 0.00 C ATOM 171 O SER A 762 11.914 -18.430 -7.862 1.00 0.00 O ATOM 172 CB SER A 762 10.892 -16.259 -10.057 1.00 0.00 C ATOM 173 OG SER A 762 10.362 -14.959 -10.310 1.00 0.00 O ATOM 0 H SER A 762 11.201 -15.261 -7.805 1.00 0.00 H new ATOM 0 HA SER A 762 9.221 -17.013 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.976 -16.197 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.685 -16.908 -10.908 1.00 0.00 H new ATOM 0 HG SER A 762 10.764 -14.595 -11.126 1.00 0.00 H new ATOM 179 N CYS A 763 10.293 -19.312 -9.153 1.00 0.00 N ATOM 180 CA CYS A 763 10.711 -20.717 -9.046 1.00 0.00 C ATOM 181 C CYS A 763 10.163 -21.563 -10.220 1.00 0.00 C ATOM 182 O CYS A 763 9.247 -21.127 -10.926 1.00 0.00 O ATOM 183 CB CYS A 763 10.259 -21.257 -7.671 1.00 0.00 C ATOM 184 SG CYS A 763 11.158 -22.775 -7.250 1.00 0.00 S ATOM 0 H CYS A 763 9.477 -19.189 -9.752 1.00 0.00 H new ATOM 0 HA CYS A 763 11.797 -20.787 -9.114 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.431 -20.502 -6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.187 -21.456 -7.687 1.00 0.00 H new ATOM 0 HG CYS A 763 10.761 -23.207 -6.090 1.00 0.00 H new ATOM 190 N ARG A 764 10.690 -22.777 -10.428 1.00 0.00 N ATOM 191 CA ARG A 764 10.096 -23.764 -11.346 1.00 0.00 C ATOM 192 C ARG A 764 8.868 -24.431 -10.695 1.00 0.00 C ATOM 193 O ARG A 764 8.864 -24.708 -9.492 1.00 0.00 O ATOM 194 CB ARG A 764 11.145 -24.806 -11.782 1.00 0.00 C ATOM 195 CG ARG A 764 10.755 -25.454 -13.121 1.00 0.00 C ATOM 196 CD ARG A 764 11.715 -26.565 -13.566 1.00 0.00 C ATOM 197 NE ARG A 764 11.508 -27.818 -12.808 1.00 0.00 N ATOM 198 CZ ARG A 764 12.073 -28.991 -13.061 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.000 -29.139 -13.986 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.699 -30.050 -12.378 1.00 0.00 N ATOM 0 H ARG A 764 11.539 -23.104 -9.967 1.00 0.00 H new ATOM 0 HA ARG A 764 9.758 -23.247 -12.244 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.120 -24.328 -11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.239 -25.575 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.749 -25.866 -13.037 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.721 -24.684 -13.892 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.576 -26.759 -14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.743 -26.229 -13.435 1.00 0.00 H new ATOM 0 HE ARG A 764 10.869 -27.776 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.305 -28.336 -14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 764 13.412 -30.057 -14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 764 10.979 -29.966 -11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.128 -30.956 -12.566 1.00 0.00 H new ATOM 214 N VAL A 765 7.830 -24.689 -11.488 1.00 0.00 N ATOM 215 CA VAL A 765 6.513 -25.205 -11.068 1.00 0.00 C ATOM 216 C VAL A 765 5.972 -26.200 -12.097 1.00 0.00 C ATOM 217 O VAL A 765 6.433 -26.243 -13.236 1.00 0.00 O ATOM 218 CB VAL A 765 5.496 -24.059 -10.848 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.842 -23.199 -9.630 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.371 -23.138 -12.064 1.00 0.00 C ATOM 0 H VAL A 765 7.880 -24.538 -12.496 1.00 0.00 H new ATOM 0 HA VAL A 765 6.651 -25.719 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 765 4.544 -24.562 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.099 -22.410 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.847 -23.821 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.827 -22.753 -9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.645 -22.353 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.340 -22.687 -12.280 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.040 -23.717 -12.926 1.00 0.00 H new ATOM 230 N VAL A 766 4.987 -26.998 -11.687 1.00 0.00 N ATOM 231 CA VAL A 766 4.322 -28.017 -12.502 1.00 0.00 C ATOM 232 C VAL A 766 2.809 -27.790 -12.500 1.00 0.00 C ATOM 233 O VAL A 766 2.231 -27.504 -11.455 1.00 0.00 O ATOM 234 CB VAL A 766 4.666 -29.444 -12.007 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.381 -29.669 -10.515 1.00 0.00 C ATOM 236 CG2 VAL A 766 3.956 -30.548 -12.801 1.00 0.00 C ATOM 0 H VAL A 766 4.614 -26.951 -10.739 1.00 0.00 H new ATOM 0 HA VAL A 766 4.687 -27.927 -13.525 1.00 0.00 H new ATOM 0 HB VAL A 766 5.741 -29.512 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.647 -30.691 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.972 -28.971 -9.922 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.321 -29.506 -10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.240 -31.522 -12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 766 2.877 -30.422 -12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.246 -30.486 -13.850 1.00 0.00 H new ATOM 246 N THR A 767 2.171 -27.965 -13.661 1.00 0.00 N ATOM 247 CA THR A 767 0.722 -28.139 -13.784 1.00 0.00 C ATOM 248 C THR A 767 0.431 -29.597 -14.127 1.00 0.00 C ATOM 249 O THR A 767 0.811 -30.048 -15.208 1.00 0.00 O ATOM 250 CB THR A 767 0.139 -27.175 -14.829 1.00 0.00 C ATOM 251 OG1 THR A 767 0.338 -25.853 -14.380 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.372 -27.352 -15.005 1.00 0.00 C ATOM 0 H THR A 767 2.657 -27.990 -14.558 1.00 0.00 H new ATOM 0 HA THR A 767 0.239 -27.898 -12.837 1.00 0.00 H new ATOM 0 HB THR A 767 0.638 -27.383 -15.775 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.255 -25.573 -14.582 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.736 -26.648 -15.754 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.584 -28.370 -15.331 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.873 -27.163 -14.056 1.00 0.00 H new ATOM 260 N CYS A 768 -0.246 -30.309 -13.223 1.00 0.00 N ATOM 261 CA CYS A 768 -0.803 -31.642 -13.483 1.00 0.00 C ATOM 262 C CYS A 768 -2.049 -31.487 -14.371 1.00 0.00 C ATOM 263 O CYS A 768 -3.026 -30.831 -13.996 1.00 0.00 O ATOM 264 CB CYS A 768 -1.108 -32.355 -12.151 1.00 0.00 C ATOM 265 SG CYS A 768 -1.545 -34.113 -12.437 1.00 0.00 S ATOM 0 H CYS A 768 -0.426 -29.973 -12.277 1.00 0.00 H new ATOM 0 HA CYS A 768 -0.084 -32.267 -14.013 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.241 -32.294 -11.494 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.929 -31.850 -11.643 1.00 0.00 H new ATOM 270 N LYS A 769 -2.021 -32.065 -15.571 1.00 0.00 N ATOM 271 CA LYS A 769 -3.117 -32.011 -16.544 1.00 0.00 C ATOM 272 C LYS A 769 -4.240 -33.012 -16.211 1.00 0.00 C ATOM 273 O LYS A 769 -5.388 -32.809 -16.619 1.00 0.00 O ATOM 274 CB LYS A 769 -2.551 -32.258 -17.954 1.00 0.00 C ATOM 275 CG LYS A 769 -1.406 -31.319 -18.387 1.00 0.00 C ATOM 276 CD LYS A 769 -1.749 -29.823 -18.378 1.00 0.00 C ATOM 277 CE LYS A 769 -2.851 -29.478 -19.393 1.00 0.00 C ATOM 278 NZ LYS A 769 -3.110 -28.020 -19.453 1.00 0.00 N ATOM 0 H LYS A 769 -1.217 -32.597 -15.904 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.569 -31.020 -16.501 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -2.193 -33.286 -18.007 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -3.364 -32.166 -18.674 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -0.553 -31.484 -17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -1.090 -31.597 -19.393 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -2.072 -29.531 -17.379 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -0.853 -29.244 -18.605 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -2.560 -29.836 -20.381 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -3.769 -29.999 -19.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -3.859 -27.829 -20.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -3.412 -27.682 -18.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -2.241 -27.524 -19.736 1.00 0.00 H new ATOM 292 N THR A 770 -3.919 -34.074 -15.455 1.00 0.00 N ATOM 293 CA THR A 770 -4.866 -35.120 -15.030 1.00 0.00 C ATOM 294 C THR A 770 -5.783 -34.627 -13.909 1.00 0.00 C ATOM 295 O THR A 770 -6.991 -34.864 -13.989 1.00 0.00 O ATOM 296 CB THR A 770 -4.094 -36.382 -14.626 1.00 0.00 C ATOM 297 OG1 THR A 770 -3.243 -36.766 -15.693 1.00 0.00 O ATOM 298 CG2 THR A 770 -5.019 -37.561 -14.316 1.00 0.00 C ATOM 0 H THR A 770 -2.971 -34.234 -15.114 1.00 0.00 H new ATOM 0 HA THR A 770 -5.515 -35.368 -15.870 1.00 0.00 H new ATOM 0 HB THR A 770 -3.531 -36.140 -13.724 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.994 -37.708 -15.590 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.421 -38.428 -14.036 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.683 -37.296 -13.493 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.613 -37.799 -15.198 1.00 0.00 H new ATOM 306 N CYS A 771 -5.251 -33.895 -12.918 1.00 0.00 N ATOM 307 CA CYS A 771 -6.004 -33.346 -11.778 1.00 0.00 C ATOM 308 C CYS A 771 -6.407 -31.859 -11.947 1.00 0.00 C ATOM 309 O CYS A 771 -7.292 -31.374 -11.234 1.00 0.00 O ATOM 310 CB CYS A 771 -5.146 -33.505 -10.516 1.00 0.00 C ATOM 311 SG CYS A 771 -4.712 -35.241 -10.125 1.00 0.00 S ATOM 0 H CYS A 771 -4.258 -33.662 -12.886 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.938 -33.903 -11.708 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.228 -32.930 -10.638 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.681 -33.075 -9.669 1.00 0.00 H new ATOM 316 N LYS A 772 -5.774 -31.138 -12.881 1.00 0.00 N ATOM 317 CA LYS A 772 -6.037 -29.736 -13.257 1.00 0.00 C ATOM 318 C LYS A 772 -5.683 -28.732 -12.132 1.00 0.00 C ATOM 319 O LYS A 772 -6.525 -27.955 -11.671 1.00 0.00 O ATOM 320 CB LYS A 772 -7.465 -29.542 -13.833 1.00 0.00 C ATOM 321 CG LYS A 772 -7.785 -30.352 -15.106 1.00 0.00 C ATOM 322 CD LYS A 772 -8.356 -31.756 -14.820 1.00 0.00 C ATOM 323 CE LYS A 772 -8.647 -32.510 -16.115 1.00 0.00 C ATOM 324 NZ LYS A 772 -9.066 -33.908 -15.839 1.00 0.00 N ATOM 0 H LYS A 772 -5.015 -31.541 -13.432 1.00 0.00 H new ATOM 0 HA LYS A 772 -5.352 -29.500 -14.071 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -8.188 -29.810 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.609 -28.484 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.501 -29.795 -15.710 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.877 -30.453 -15.700 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.647 -32.324 -14.218 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.271 -31.667 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.431 -31.995 -16.670 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.758 -32.512 -16.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -9.077 -34.449 -16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.396 -34.346 -15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -10.019 -33.909 -15.421 1.00 0.00 H new ATOM 338 N TYR A 773 -4.419 -28.748 -11.681 1.00 0.00 N ATOM 339 CA TYR A 773 -3.870 -27.797 -10.693 1.00 0.00 C ATOM 340 C TYR A 773 -2.383 -27.470 -10.939 1.00 0.00 C ATOM 341 O TYR A 773 -1.665 -28.273 -11.541 1.00 0.00 O ATOM 342 CB TYR A 773 -4.077 -28.337 -9.269 1.00 0.00 C ATOM 343 CG TYR A 773 -3.212 -29.523 -8.868 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.867 -29.332 -8.481 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.752 -30.822 -8.857 1.00 0.00 C ATOM 346 CE1 TYR A 773 -1.064 -30.426 -8.119 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.972 -31.909 -8.425 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.621 -31.723 -8.071 1.00 0.00 C ATOM 349 OH TYR A 773 -0.856 -32.783 -7.688 1.00 0.00 O ATOM 0 H TYR A 773 -3.734 -29.434 -11.997 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.417 -26.861 -10.810 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.894 -27.525 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.123 -28.623 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.452 -28.335 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.769 -30.985 -9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 773 -0.022 -30.276 -7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -3.412 -32.894 -8.364 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.169 -32.480 -7.058 1.00 0.00 H new ATOM 359 N THR A 774 -1.918 -26.325 -10.412 1.00 0.00 N ATOM 360 CA THR A 774 -0.521 -25.848 -10.477 1.00 0.00 C ATOM 361 C THR A 774 0.099 -25.835 -9.084 1.00 0.00 C ATOM 362 O THR A 774 -0.495 -25.292 -8.159 1.00 0.00 O ATOM 363 CB THR A 774 -0.453 -24.443 -11.091 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.143 -24.432 -12.322 1.00 0.00 O ATOM 365 CG2 THR A 774 0.984 -23.979 -11.337 1.00 0.00 C ATOM 0 H THR A 774 -2.526 -25.679 -9.909 1.00 0.00 H new ATOM 0 HA THR A 774 0.042 -26.532 -11.112 1.00 0.00 H new ATOM 0 HB THR A 774 -0.912 -23.760 -10.376 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.620 -24.916 -12.995 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.974 -22.980 -11.772 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.526 -23.958 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.477 -24.668 -12.023 1.00 0.00 H new ATOM 373 N HIS A 775 1.302 -26.388 -8.937 1.00 0.00 N ATOM 374 CA HIS A 775 2.080 -26.443 -7.689 1.00 0.00 C ATOM 375 C HIS A 775 3.599 -26.564 -7.951 1.00 0.00 C ATOM 376 O HIS A 775 4.039 -26.639 -9.099 1.00 0.00 O ATOM 377 CB HIS A 775 1.544 -27.577 -6.784 1.00 0.00 C ATOM 378 CG HIS A 775 0.674 -27.069 -5.661 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.108 -26.509 -4.480 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.693 -27.032 -5.640 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.027 -26.136 -3.773 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.105 -26.443 -4.436 1.00 0.00 N ATOM 0 H HIS A 775 1.787 -26.831 -9.717 1.00 0.00 H new ATOM 0 HA HIS A 775 1.949 -25.498 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.973 -28.280 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.385 -28.129 -6.364 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.080 -26.397 -4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.346 -27.395 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.061 -25.656 -2.806 1.00 0.00 H new ATOM 390 N PHE A 776 4.412 -26.572 -6.888 1.00 0.00 N ATOM 391 CA PHE A 776 5.882 -26.595 -6.954 1.00 0.00 C ATOM 392 C PHE A 776 6.445 -27.910 -7.529 1.00 0.00 C ATOM 393 O PHE A 776 7.467 -27.903 -8.215 1.00 0.00 O ATOM 394 CB PHE A 776 6.457 -26.363 -5.538 1.00 0.00 C ATOM 395 CG PHE A 776 5.675 -25.388 -4.668 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.765 -24.002 -4.889 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.821 -25.881 -3.661 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.977 -23.119 -4.133 1.00 0.00 C ATOM 399 CE2 PHE A 776 4.040 -24.993 -2.897 1.00 0.00 C ATOM 400 CZ PHE A 776 4.107 -23.609 -3.143 1.00 0.00 C ATOM 0 H PHE A 776 4.058 -26.562 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 776 6.185 -25.799 -7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.508 -27.322 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.480 -25.998 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 776 6.440 -23.617 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.766 -26.943 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 776 5.040 -22.056 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.390 -25.374 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 776 3.493 -22.926 -2.574 1.00 0.00 H new ATOM 410 N LYS A 777 5.775 -29.039 -7.242 1.00 0.00 N ATOM 411 CA LYS A 777 6.176 -30.407 -7.617 1.00 0.00 C ATOM 412 C LYS A 777 4.984 -31.402 -7.588 1.00 0.00 C ATOM 413 O LYS A 777 4.008 -31.138 -6.873 1.00 0.00 O ATOM 414 CB LYS A 777 7.330 -30.858 -6.706 1.00 0.00 C ATOM 415 CG LYS A 777 6.925 -30.984 -5.227 1.00 0.00 C ATOM 416 CD LYS A 777 8.143 -31.359 -4.384 1.00 0.00 C ATOM 417 CE LYS A 777 7.745 -31.503 -2.910 1.00 0.00 C ATOM 418 NZ LYS A 777 8.907 -31.879 -2.066 1.00 0.00 N ATOM 0 H LYS A 777 4.900 -29.023 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 777 6.521 -30.400 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.705 -31.820 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 777 8.151 -30.146 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 777 6.504 -30.042 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 777 6.149 -31.741 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.570 -32.294 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 777 8.914 -30.596 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 777 7.323 -30.563 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 777 6.965 -32.259 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 8.602 -31.968 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 9.293 -32.788 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 9.640 -31.145 -2.138 1.00 0.00 H new ATOM 432 N PRO A 778 5.031 -32.522 -8.346 1.00 0.00 N ATOM 433 CA PRO A 778 3.945 -33.494 -8.379 1.00 0.00 C ATOM 434 C PRO A 778 3.971 -34.380 -7.121 1.00 0.00 C ATOM 435 O PRO A 778 5.015 -34.548 -6.488 1.00 0.00 O ATOM 436 CB PRO A 778 4.167 -34.301 -9.655 1.00 0.00 C ATOM 437 CG PRO A 778 5.687 -34.308 -9.804 1.00 0.00 C ATOM 438 CD PRO A 778 6.084 -32.926 -9.272 1.00 0.00 C ATOM 0 HA PRO A 778 2.963 -33.020 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.766 -35.311 -9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.680 -33.838 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.147 -35.111 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.992 -34.445 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 778 7.050 -32.967 -8.768 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.180 -32.209 -10.087 1.00 0.00 H new ATOM 446 N LYS A 779 2.823 -34.973 -6.779 1.00 0.00 N ATOM 447 CA LYS A 779 2.722 -35.927 -5.670 1.00 0.00 C ATOM 448 C LYS A 779 3.358 -37.286 -6.016 1.00 0.00 C ATOM 449 O LYS A 779 3.447 -37.685 -7.180 1.00 0.00 O ATOM 450 CB LYS A 779 1.251 -36.121 -5.259 1.00 0.00 C ATOM 451 CG LYS A 779 0.639 -34.840 -4.670 1.00 0.00 C ATOM 452 CD LYS A 779 -0.821 -35.028 -4.233 1.00 0.00 C ATOM 453 CE LYS A 779 -1.730 -35.396 -5.418 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.150 -35.518 -4.996 1.00 0.00 N ATOM 0 H LYS A 779 1.940 -34.806 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 779 3.278 -35.507 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.671 -36.433 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 779 1.183 -36.924 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 779 1.232 -34.519 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.692 -34.043 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -0.876 -35.811 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.182 -34.110 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.644 -34.636 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.397 -36.337 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.736 -35.767 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.235 -36.261 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -3.474 -34.612 -4.601 1.00 0.00 H new ATOM 468 N GLU A 780 3.710 -38.055 -4.982 1.00 0.00 N ATOM 469 CA GLU A 780 4.190 -39.439 -5.147 1.00 0.00 C ATOM 470 C GLU A 780 3.129 -40.331 -5.811 1.00 0.00 C ATOM 471 O GLU A 780 3.474 -41.170 -6.642 1.00 0.00 O ATOM 472 CB GLU A 780 4.619 -40.034 -3.792 1.00 0.00 C ATOM 473 CG GLU A 780 5.841 -39.319 -3.197 1.00 0.00 C ATOM 474 CD GLU A 780 6.270 -39.976 -1.884 1.00 0.00 C ATOM 475 OE1 GLU A 780 5.761 -39.579 -0.804 1.00 0.00 O ATOM 476 OE2 GLU A 780 7.127 -40.896 -1.916 1.00 0.00 O ATOM 0 H GLU A 780 3.673 -37.743 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 780 5.058 -39.406 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.787 -39.970 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.847 -41.092 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.666 -39.346 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.605 -38.269 -3.023 1.00 0.00 H new ATOM 483 N THR A 781 1.842 -40.105 -5.511 1.00 0.00 N ATOM 484 CA THR A 781 0.704 -40.752 -6.174 1.00 0.00 C ATOM 485 C THR A 781 0.594 -40.356 -7.643 1.00 0.00 C ATOM 486 O THR A 781 0.395 -41.233 -8.483 1.00 0.00 O ATOM 487 CB THR A 781 -0.606 -40.443 -5.438 1.00 0.00 C ATOM 488 OG1 THR A 781 -0.688 -39.064 -5.148 1.00 0.00 O ATOM 489 CG2 THR A 781 -0.677 -41.208 -4.118 1.00 0.00 C ATOM 0 H THR A 781 1.558 -39.451 -4.782 1.00 0.00 H new ATOM 0 HA THR A 781 0.883 -41.826 -6.137 1.00 0.00 H new ATOM 0 HB THR A 781 -1.429 -40.745 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.529 -38.878 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 781 -1.614 -40.975 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 781 -0.628 -42.279 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 781 0.160 -40.917 -3.483 1.00 0.00 H new ATOM 497 N CYS A 782 0.795 -39.077 -7.981 1.00 0.00 N ATOM 498 CA CYS A 782 0.795 -38.586 -9.361 1.00 0.00 C ATOM 499 C CYS A 782 1.951 -39.178 -10.187 1.00 0.00 C ATOM 500 O CYS A 782 1.755 -39.556 -11.344 1.00 0.00 O ATOM 501 CB CYS A 782 0.851 -37.050 -9.346 1.00 0.00 C ATOM 502 SG CYS A 782 -0.716 -36.339 -8.752 1.00 0.00 S ATOM 0 H CYS A 782 0.965 -38.344 -7.292 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.125 -38.912 -9.846 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.669 -36.720 -8.706 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.063 -36.682 -10.350 1.00 0.00 H new ATOM 507 N VAL A 783 3.147 -39.279 -9.606 1.00 0.00 N ATOM 508 CA VAL A 783 4.310 -39.913 -10.252 1.00 0.00 C ATOM 509 C VAL A 783 4.120 -41.435 -10.394 1.00 0.00 C ATOM 510 O VAL A 783 4.414 -41.991 -11.453 1.00 0.00 O ATOM 511 CB VAL A 783 5.622 -39.574 -9.501 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.843 -40.314 -10.069 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.907 -38.059 -9.582 1.00 0.00 C ATOM 0 H VAL A 783 3.343 -38.924 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 783 4.390 -39.502 -11.259 1.00 0.00 H new ATOM 0 HB VAL A 783 5.471 -39.894 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.732 -40.037 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.685 -41.390 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.979 -40.041 -11.115 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.832 -37.834 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.007 -37.763 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.083 -37.509 -9.127 1.00 0.00 H new ATOM 523 N SER A 784 3.594 -42.112 -9.362 1.00 0.00 N ATOM 524 CA SER A 784 3.395 -43.572 -9.356 1.00 0.00 C ATOM 525 C SER A 784 2.264 -44.042 -10.294 1.00 0.00 C ATOM 526 O SER A 784 2.444 -44.991 -11.063 1.00 0.00 O ATOM 527 CB SER A 784 3.131 -44.043 -7.916 1.00 0.00 C ATOM 528 OG SER A 784 3.060 -45.459 -7.819 1.00 0.00 O ATOM 0 H SER A 784 3.292 -41.659 -8.500 1.00 0.00 H new ATOM 0 HA SER A 784 4.309 -44.023 -9.741 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.923 -43.675 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.197 -43.609 -7.559 1.00 0.00 H new ATOM 0 HG SER A 784 2.893 -45.715 -6.888 1.00 0.00 H new ATOM 534 N GLU A 785 1.117 -43.350 -10.296 1.00 0.00 N ATOM 535 CA GLU A 785 0.014 -43.581 -11.240 1.00 0.00 C ATOM 536 C GLU A 785 0.279 -42.969 -12.631 1.00 0.00 C ATOM 537 O GLU A 785 -0.456 -43.239 -13.586 1.00 0.00 O ATOM 538 CB GLU A 785 -1.309 -43.035 -10.666 1.00 0.00 C ATOM 539 CG GLU A 785 -1.763 -43.716 -9.369 1.00 0.00 C ATOM 540 CD GLU A 785 -2.132 -45.192 -9.592 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.201 -45.472 -10.190 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.372 -46.084 -9.148 1.00 0.00 O ATOM 0 H GLU A 785 0.926 -42.601 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.062 -44.660 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.198 -41.966 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.092 -43.150 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.967 -43.649 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.623 -43.185 -8.962 1.00 0.00 H new ATOM 549 N ASN A 786 1.332 -42.158 -12.752 1.00 0.00 N ATOM 550 CA ASN A 786 1.897 -41.653 -14.000 1.00 0.00 C ATOM 551 C ASN A 786 0.969 -40.643 -14.708 1.00 0.00 C ATOM 552 O ASN A 786 0.687 -40.755 -15.907 1.00 0.00 O ATOM 553 CB ASN A 786 2.377 -42.831 -14.876 1.00 0.00 C ATOM 554 CG ASN A 786 3.594 -42.447 -15.703 1.00 0.00 C ATOM 555 OD1 ASN A 786 3.525 -42.234 -16.907 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.746 -42.354 -15.059 1.00 0.00 N ATOM 0 H ASN A 786 1.840 -41.819 -11.935 1.00 0.00 H new ATOM 0 HA ASN A 786 2.783 -41.059 -13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.621 -43.683 -14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 786 1.570 -43.147 -15.538 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.595 -42.102 -15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 786 4.786 -42.535 -14.056 1.00 0.00 H new ATOM 563 N HIS A 787 0.472 -39.663 -13.940 1.00 0.00 N ATOM 564 CA HIS A 787 -0.311 -38.524 -14.430 1.00 0.00 C ATOM 565 C HIS A 787 0.482 -37.719 -15.472 1.00 0.00 C ATOM 566 O HIS A 787 1.715 -37.726 -15.489 1.00 0.00 O ATOM 567 CB HIS A 787 -0.741 -37.630 -13.243 1.00 0.00 C ATOM 568 CG HIS A 787 -1.817 -38.206 -12.338 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.516 -37.528 -11.333 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.299 -39.490 -12.391 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.398 -38.418 -10.816 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.279 -39.602 -11.434 1.00 0.00 N ATOM 0 H HIS A 787 0.609 -39.642 -12.929 1.00 0.00 H new ATOM 0 HA HIS A 787 -1.207 -38.901 -14.922 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.139 -37.414 -12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -1.097 -36.679 -13.639 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.969 -40.269 -13.062 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.096 -38.204 -10.020 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.822 -40.441 -11.229 1.00 0.00 H new ATOM 580 N ASP A 788 -0.237 -37.010 -16.337 1.00 0.00 N ATOM 581 CA ASP A 788 0.346 -36.096 -17.320 1.00 0.00 C ATOM 582 C ASP A 788 0.606 -34.727 -16.677 1.00 0.00 C ATOM 583 O ASP A 788 -0.250 -34.225 -15.950 1.00 0.00 O ATOM 584 CB ASP A 788 -0.608 -35.976 -18.522 1.00 0.00 C ATOM 585 CG ASP A 788 -0.018 -35.159 -19.680 1.00 0.00 C ATOM 586 OD1 ASP A 788 1.181 -35.344 -20.002 1.00 0.00 O ATOM 587 OD2 ASP A 788 -0.764 -34.360 -20.293 1.00 0.00 O ATOM 0 H ASP A 788 -1.255 -37.053 -16.377 1.00 0.00 H new ATOM 0 HA ASP A 788 1.302 -36.485 -17.669 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.859 -36.974 -18.880 1.00 0.00 H new ATOM 0 HB3 ASP A 788 -1.538 -35.512 -18.195 1.00 0.00 H new ATOM 592 N PHE A 789 1.755 -34.105 -16.962 1.00 0.00 N ATOM 593 CA PHE A 789 2.102 -32.778 -16.451 1.00 0.00 C ATOM 594 C PHE A 789 2.904 -31.939 -17.448 1.00 0.00 C ATOM 595 O PHE A 789 3.663 -32.458 -18.274 1.00 0.00 O ATOM 596 CB PHE A 789 2.833 -32.829 -15.090 1.00 0.00 C ATOM 597 CG PHE A 789 3.222 -34.173 -14.497 1.00 0.00 C ATOM 598 CD1 PHE A 789 4.452 -34.773 -14.840 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.398 -34.775 -13.531 1.00 0.00 C ATOM 600 CE1 PHE A 789 4.851 -35.971 -14.221 1.00 0.00 C ATOM 601 CE2 PHE A 789 2.811 -35.961 -12.895 1.00 0.00 C ATOM 602 CZ PHE A 789 4.036 -36.562 -13.238 1.00 0.00 C ATOM 0 H PHE A 789 2.475 -34.513 -17.559 1.00 0.00 H new ATOM 0 HA PHE A 789 1.142 -32.284 -16.299 1.00 0.00 H new ATOM 0 HB2 PHE A 789 3.745 -32.239 -15.187 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.201 -32.322 -14.361 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.089 -34.311 -15.580 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.448 -34.328 -13.277 1.00 0.00 H new ATOM 0 HE1 PHE A 789 5.784 -36.438 -14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.184 -36.412 -12.140 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.349 -37.473 -12.749 1.00 0.00 H new ATOM 612 N HIS A 790 2.768 -30.621 -17.323 1.00 0.00 N ATOM 613 CA HIS A 790 3.612 -29.616 -17.976 1.00 0.00 C ATOM 614 C HIS A 790 4.430 -28.866 -16.907 1.00 0.00 C ATOM 615 O HIS A 790 3.856 -28.310 -15.969 1.00 0.00 O ATOM 616 CB HIS A 790 2.721 -28.624 -18.755 1.00 0.00 C ATOM 617 CG HIS A 790 2.195 -29.139 -20.078 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.249 -28.466 -21.278 1.00 0.00 N ATOM 619 CD2 HIS A 790 1.561 -30.331 -20.319 1.00 0.00 C ATOM 620 CE1 HIS A 790 1.664 -29.230 -22.217 1.00 0.00 C ATOM 621 NE2 HIS A 790 1.227 -30.383 -21.678 1.00 0.00 N ATOM 0 H HIS A 790 2.040 -30.205 -16.742 1.00 0.00 H new ATOM 0 HA HIS A 790 4.295 -30.103 -18.673 1.00 0.00 H new ATOM 0 HB2 HIS A 790 1.874 -28.349 -18.127 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.291 -27.713 -18.938 1.00 0.00 H new ATOM 0 HD2 HIS A 790 1.355 -31.098 -19.587 1.00 0.00 H new ATOM 0 HE1 HIS A 790 1.560 -28.957 -23.257 1.00 0.00 H new ATOM 0 HE2 HIS A 790 0.748 -31.143 -22.162 1.00 0.00 H new ATOM 629 N TRP A 791 5.760 -28.816 -17.051 1.00 0.00 N ATOM 630 CA TRP A 791 6.653 -27.990 -16.225 1.00 0.00 C ATOM 631 C TRP A 791 6.882 -26.605 -16.857 1.00 0.00 C ATOM 632 O TRP A 791 6.932 -26.466 -18.083 1.00 0.00 O ATOM 633 CB TRP A 791 7.985 -28.726 -15.992 1.00 0.00 C ATOM 634 CG TRP A 791 7.937 -29.871 -15.023 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.700 -31.166 -15.328 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.159 -29.844 -13.578 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.770 -31.940 -14.185 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.071 -31.178 -13.078 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.432 -28.824 -12.636 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.270 -31.488 -11.724 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.618 -29.124 -11.270 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.548 -30.451 -10.815 1.00 0.00 C ATOM 0 H TRP A 791 6.256 -29.358 -17.758 1.00 0.00 H new ATOM 0 HA TRP A 791 6.175 -27.825 -15.259 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.344 -29.101 -16.951 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.720 -28.004 -15.636 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.487 -31.541 -16.318 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.618 -32.948 -14.164 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.499 -27.799 -12.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.210 -32.511 -11.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.816 -28.327 -10.569 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.707 -30.675 -9.770 1.00 0.00 H new ATOM 653 N HIS A 792 7.030 -25.582 -16.018 1.00 0.00 N ATOM 654 CA HIS A 792 7.174 -24.172 -16.393 1.00 0.00 C ATOM 655 C HIS A 792 7.687 -23.322 -15.210 1.00 0.00 C ATOM 656 O HIS A 792 7.926 -23.839 -14.114 1.00 0.00 O ATOM 657 CB HIS A 792 5.830 -23.644 -16.945 1.00 0.00 C ATOM 658 CG HIS A 792 4.684 -23.652 -15.957 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.108 -22.547 -15.364 1.00 0.00 N ATOM 660 CD2 HIS A 792 3.981 -24.750 -15.532 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.076 -22.974 -14.613 1.00 0.00 C ATOM 662 NE2 HIS A 792 2.963 -24.315 -14.675 1.00 0.00 N ATOM 0 H HIS A 792 7.054 -25.718 -15.007 1.00 0.00 H new ATOM 0 HA HIS A 792 7.925 -24.089 -17.179 1.00 0.00 H new ATOM 0 HB2 HIS A 792 5.976 -22.624 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.548 -24.245 -17.810 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.410 -21.579 -15.475 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.179 -25.775 -15.811 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.427 -22.329 -14.039 1.00 0.00 H new ATOM 670 N ASN A 793 7.860 -22.012 -15.409 1.00 0.00 N ATOM 671 CA ASN A 793 8.217 -21.071 -14.340 1.00 0.00 C ATOM 672 C ASN A 793 6.975 -20.367 -13.756 1.00 0.00 C ATOM 673 O ASN A 793 5.962 -20.176 -14.437 1.00 0.00 O ATOM 674 CB ASN A 793 9.247 -20.054 -14.864 1.00 0.00 C ATOM 675 CG ASN A 793 10.575 -20.728 -15.199 1.00 0.00 C ATOM 676 OD1 ASN A 793 10.927 -20.913 -16.358 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.352 -21.113 -14.202 1.00 0.00 N ATOM 0 H ASN A 793 7.756 -21.570 -16.322 1.00 0.00 H new ATOM 0 HA ASN A 793 8.666 -21.635 -13.523 1.00 0.00 H new ATOM 0 HB2 ASN A 793 8.853 -19.560 -15.753 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.409 -19.279 -14.115 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.246 -21.565 -14.397 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.058 -20.959 -13.238 1.00 0.00 H new ATOM 684 N GLY A 794 7.076 -19.986 -12.482 1.00 0.00 N ATOM 685 CA GLY A 794 6.057 -19.278 -11.696 1.00 0.00 C ATOM 686 C GLY A 794 6.674 -18.452 -10.568 1.00 0.00 C ATOM 687 O GLY A 794 7.878 -18.192 -10.570 1.00 0.00 O ATOM 0 H GLY A 794 7.918 -20.172 -11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.483 -18.624 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.357 -20.000 -11.275 1.00 0.00 H new ATOM 691 N VAL A 795 5.856 -18.048 -9.597 1.00 0.00 N ATOM 692 CA VAL A 795 6.250 -17.216 -8.442 1.00 0.00 C ATOM 693 C VAL A 795 5.381 -17.542 -7.221 1.00 0.00 C ATOM 694 O VAL A 795 4.158 -17.620 -7.327 1.00 0.00 O ATOM 695 CB VAL A 795 6.217 -15.702 -8.793 1.00 0.00 C ATOM 696 CG1 VAL A 795 4.896 -15.247 -9.435 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.476 -14.804 -7.576 1.00 0.00 C ATOM 0 H VAL A 795 4.866 -18.295 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 795 7.282 -17.455 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 795 7.023 -15.590 -9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 795 4.946 -14.180 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.732 -15.799 -10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.072 -15.439 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.441 -13.758 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.713 -14.987 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.459 -15.028 -7.161 1.00 0.00 H new ATOM 707 N LYS A 796 6.028 -17.761 -6.069 1.00 0.00 N ATOM 708 CA LYS A 796 5.385 -18.243 -4.837 1.00 0.00 C ATOM 709 C LYS A 796 5.101 -17.136 -3.806 1.00 0.00 C ATOM 710 O LYS A 796 5.845 -16.160 -3.699 1.00 0.00 O ATOM 711 CB LYS A 796 6.198 -19.414 -4.275 1.00 0.00 C ATOM 712 CG LYS A 796 7.548 -19.007 -3.651 1.00 0.00 C ATOM 713 CD LYS A 796 8.652 -20.024 -3.977 1.00 0.00 C ATOM 714 CE LYS A 796 8.391 -21.432 -3.413 1.00 0.00 C ATOM 715 NZ LYS A 796 8.595 -21.500 -1.942 1.00 0.00 N ATOM 0 H LYS A 796 7.031 -17.606 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 796 4.388 -18.603 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 796 5.602 -19.926 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 796 6.382 -20.131 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.838 -18.023 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 796 7.439 -18.922 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.762 -20.092 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 796 9.599 -19.656 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.370 -21.732 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 796 9.054 -22.145 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.407 -22.468 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 9.576 -21.240 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 7.944 -20.840 -1.470 1.00 0.00 H new ATOM 729 N ARG A 797 3.999 -17.311 -3.071 1.00 0.00 N ATOM 730 CA ARG A 797 3.294 -16.306 -2.271 1.00 0.00 C ATOM 731 C ARG A 797 2.867 -16.929 -0.938 1.00 0.00 C ATOM 732 O ARG A 797 2.403 -18.071 -0.904 1.00 0.00 O ATOM 733 CB ARG A 797 2.059 -15.803 -3.046 1.00 0.00 C ATOM 734 CG ARG A 797 2.447 -15.236 -4.416 1.00 0.00 C ATOM 735 CD ARG A 797 1.275 -14.628 -5.182 1.00 0.00 C ATOM 736 NE ARG A 797 1.792 -13.745 -6.238 1.00 0.00 N ATOM 737 CZ ARG A 797 1.660 -13.852 -7.553 1.00 0.00 C ATOM 738 NH1 ARG A 797 0.971 -14.814 -8.130 1.00 0.00 N ATOM 739 NH2 ARG A 797 2.256 -12.961 -8.312 1.00 0.00 N ATOM 0 H ARG A 797 3.545 -18.222 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 797 3.954 -15.461 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.352 -16.622 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.551 -15.034 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 797 3.215 -14.475 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 797 2.889 -16.031 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 797 0.662 -15.417 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 797 0.634 -14.066 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 797 2.326 -12.939 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 797 0.508 -15.522 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 797 0.900 -14.851 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 797 2.803 -12.212 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.172 -13.018 -9.327 1.00 0.00 H new ATOM 753 N PHE A 798 3.052 -16.194 0.158 1.00 0.00 N ATOM 754 CA PHE A 798 3.014 -16.727 1.522 1.00 0.00 C ATOM 755 C PHE A 798 1.737 -16.302 2.258 1.00 0.00 C ATOM 756 O PHE A 798 1.379 -15.121 2.260 1.00 0.00 O ATOM 757 CB PHE A 798 4.275 -16.237 2.257 1.00 0.00 C ATOM 758 CG PHE A 798 5.557 -16.388 1.456 1.00 0.00 C ATOM 759 CD1 PHE A 798 6.137 -17.658 1.280 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.136 -15.268 0.827 1.00 0.00 C ATOM 761 CE1 PHE A 798 7.287 -17.809 0.489 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.271 -15.415 0.017 1.00 0.00 C ATOM 763 CZ PHE A 798 7.848 -16.686 -0.148 1.00 0.00 C ATOM 0 H PHE A 798 3.236 -15.191 0.123 1.00 0.00 H new ATOM 0 HA PHE A 798 3.000 -17.817 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.145 -15.187 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.376 -16.789 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.695 -18.521 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.702 -14.289 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.739 -18.782 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.700 -14.556 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.726 -16.802 -0.766 1.00 0.00 H new ATOM 773 N PHE A 799 1.052 -17.255 2.894 1.00 0.00 N ATOM 774 CA PHE A 799 -0.245 -17.045 3.548 1.00 0.00 C ATOM 775 C PHE A 799 -0.279 -17.556 4.995 1.00 0.00 C ATOM 776 O PHE A 799 0.473 -18.458 5.376 1.00 0.00 O ATOM 777 CB PHE A 799 -1.363 -17.710 2.719 1.00 0.00 C ATOM 778 CG PHE A 799 -1.478 -17.172 1.304 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.708 -17.726 0.266 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.346 -16.100 1.037 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.800 -17.206 -1.035 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.432 -15.574 -0.266 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.655 -16.124 -1.304 1.00 0.00 C ATOM 0 H PHE A 799 1.389 -18.215 2.971 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.407 -15.968 3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.181 -18.784 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.315 -17.568 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.044 -18.553 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -2.946 -15.680 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.212 -17.639 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.095 -14.747 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.716 -15.716 -2.302 1.00 0.00 H new ATOM 793 N LYS A 800 -1.178 -16.978 5.796 1.00 0.00 N ATOM 794 CA LYS A 800 -1.451 -17.314 7.198 1.00 0.00 C ATOM 795 C LYS A 800 -2.967 -17.396 7.478 1.00 0.00 C ATOM 796 O LYS A 800 -3.760 -16.617 6.948 1.00 0.00 O ATOM 797 CB LYS A 800 -0.752 -16.267 8.094 1.00 0.00 C ATOM 798 CG LYS A 800 -0.864 -16.598 9.590 1.00 0.00 C ATOM 799 CD LYS A 800 -0.055 -15.647 10.475 1.00 0.00 C ATOM 800 CE LYS A 800 -0.831 -14.335 10.619 1.00 0.00 C ATOM 801 NZ LYS A 800 -0.136 -13.360 11.496 1.00 0.00 N ATOM 0 H LYS A 800 -1.771 -16.217 5.464 1.00 0.00 H new ATOM 0 HA LYS A 800 -1.053 -18.303 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.301 -16.203 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -1.190 -15.286 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.912 -16.559 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.523 -17.620 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 800 0.116 -16.095 11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.924 -15.461 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.978 -13.893 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 800 -1.821 -14.544 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -0.700 -12.489 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -0.018 -13.769 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.798 -13.138 11.096 1.00 0.00 H new ATOM 815 N CYS A 801 -3.364 -18.349 8.317 1.00 0.00 N ATOM 816 CA CYS A 801 -4.714 -18.520 8.864 1.00 0.00 C ATOM 817 C CYS A 801 -4.820 -17.850 10.259 1.00 0.00 C ATOM 818 O CYS A 801 -3.818 -17.855 10.983 1.00 0.00 O ATOM 819 CB CYS A 801 -4.946 -20.037 8.952 1.00 0.00 C ATOM 820 SG CYS A 801 -6.630 -20.451 9.508 1.00 0.00 S ATOM 0 H CYS A 801 -2.719 -19.064 8.654 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.469 -18.048 8.236 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.768 -20.486 7.975 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.222 -20.473 9.640 1.00 0.00 H new ATOM 825 N PRO A 802 -5.981 -17.306 10.687 1.00 0.00 N ATOM 826 CA PRO A 802 -6.125 -16.627 11.983 1.00 0.00 C ATOM 827 C PRO A 802 -5.783 -17.463 13.232 1.00 0.00 C ATOM 828 O PRO A 802 -5.526 -16.873 14.283 1.00 0.00 O ATOM 829 CB PRO A 802 -7.569 -16.101 12.023 1.00 0.00 C ATOM 830 CG PRO A 802 -8.294 -16.871 10.921 1.00 0.00 C ATOM 831 CD PRO A 802 -7.186 -17.099 9.897 1.00 0.00 C ATOM 0 HA PRO A 802 -5.381 -15.832 12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -8.027 -16.277 12.996 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.604 -15.026 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.708 -17.810 11.287 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -9.122 -16.299 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.400 -17.964 9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -7.080 -16.242 9.232 1.00 0.00 H new ATOM 839 N CYS A 803 -5.741 -18.802 13.157 1.00 0.00 N ATOM 840 CA CYS A 803 -5.272 -19.663 14.256 1.00 0.00 C ATOM 841 C CYS A 803 -3.727 -19.723 14.405 1.00 0.00 C ATOM 842 O CYS A 803 -3.217 -20.229 15.410 1.00 0.00 O ATOM 843 CB CYS A 803 -5.889 -21.063 14.100 1.00 0.00 C ATOM 844 SG CYS A 803 -5.173 -21.952 12.679 1.00 0.00 S ATOM 0 H CYS A 803 -6.033 -19.321 12.329 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.613 -19.211 15.188 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.724 -21.638 15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.968 -20.974 13.969 1.00 0.00 H new ATOM 849 N GLY A 804 -2.984 -19.191 13.425 1.00 0.00 N ATOM 850 CA GLY A 804 -1.515 -19.176 13.344 1.00 0.00 C ATOM 851 C GLY A 804 -0.914 -20.185 12.353 1.00 0.00 C ATOM 852 O GLY A 804 0.298 -20.165 12.147 1.00 0.00 O ATOM 0 H GLY A 804 -3.415 -18.734 12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -1.191 -18.174 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -1.108 -19.376 14.335 1.00 0.00 H new ATOM 856 N ASN A 805 -1.733 -21.041 11.727 1.00 0.00 N ATOM 857 CA ASN A 805 -1.292 -21.996 10.702 1.00 0.00 C ATOM 858 C ASN A 805 -0.856 -21.282 9.398 1.00 0.00 C ATOM 859 O ASN A 805 -1.284 -20.160 9.120 1.00 0.00 O ATOM 860 CB ASN A 805 -2.405 -23.038 10.465 1.00 0.00 C ATOM 861 CG ASN A 805 -1.975 -24.215 9.589 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.805 -24.573 9.523 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.898 -24.836 8.879 1.00 0.00 N ATOM 0 H ASN A 805 -2.733 -21.090 11.921 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.404 -22.519 11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.743 -23.419 11.428 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.258 -22.544 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.638 -25.615 8.274 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.872 -24.537 8.935 1.00 0.00 H new ATOM 870 N ARG A 806 0.004 -21.920 8.595 1.00 0.00 N ATOM 871 CA ARG A 806 0.677 -21.342 7.416 1.00 0.00 C ATOM 872 C ARG A 806 0.516 -22.215 6.161 1.00 0.00 C ATOM 873 O ARG A 806 0.345 -23.435 6.258 1.00 0.00 O ATOM 874 CB ARG A 806 2.174 -21.167 7.729 1.00 0.00 C ATOM 875 CG ARG A 806 2.483 -20.180 8.875 1.00 0.00 C ATOM 876 CD ARG A 806 2.025 -18.743 8.606 1.00 0.00 C ATOM 877 NE ARG A 806 2.614 -18.190 7.372 1.00 0.00 N ATOM 878 CZ ARG A 806 3.834 -17.682 7.226 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.672 -17.556 8.238 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.234 -17.285 6.039 1.00 0.00 N ATOM 0 H ARG A 806 0.264 -22.894 8.752 1.00 0.00 H new ATOM 0 HA ARG A 806 0.209 -20.380 7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.594 -22.140 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.682 -20.826 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.004 -20.538 9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.557 -20.179 9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 806 0.938 -18.719 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.299 -18.112 9.451 1.00 0.00 H new ATOM 0 HE ARG A 806 2.022 -18.198 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.391 -17.853 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.600 -17.161 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.610 -17.367 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.169 -16.894 5.920 1.00 0.00 H new ATOM 894 N THR A 807 0.627 -21.589 4.981 1.00 0.00 N ATOM 895 CA THR A 807 0.695 -22.242 3.660 1.00 0.00 C ATOM 896 C THR A 807 1.321 -21.321 2.614 1.00 0.00 C ATOM 897 O THR A 807 1.586 -20.150 2.880 1.00 0.00 O ATOM 898 CB THR A 807 -0.677 -22.801 3.236 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.459 -23.746 2.213 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.639 -21.731 2.719 1.00 0.00 C ATOM 0 H THR A 807 0.674 -20.572 4.915 1.00 0.00 H new ATOM 0 HA THR A 807 1.359 -23.103 3.741 1.00 0.00 H new ATOM 0 HB THR A 807 -1.142 -23.240 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.318 -24.120 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.584 -22.196 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.816 -20.992 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.204 -21.241 1.848 1.00 0.00 H new ATOM 908 N ILE A 808 1.580 -21.858 1.425 1.00 0.00 N ATOM 909 CA ILE A 808 2.235 -21.181 0.292 1.00 0.00 C ATOM 910 C ILE A 808 1.495 -21.566 -0.998 1.00 0.00 C ATOM 911 O ILE A 808 1.081 -22.713 -1.164 1.00 0.00 O ATOM 912 CB ILE A 808 3.742 -21.554 0.210 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.452 -21.431 1.584 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.468 -20.686 -0.835 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.959 -21.724 1.561 1.00 0.00 C ATOM 0 H ILE A 808 1.330 -22.823 1.207 1.00 0.00 H new ATOM 0 HA ILE A 808 2.186 -20.101 0.432 1.00 0.00 H new ATOM 0 HB ILE A 808 3.790 -22.599 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.299 -20.422 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.974 -22.114 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.521 -20.967 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 808 4.016 -20.841 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.382 -19.635 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.367 -21.613 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 808 6.126 -22.743 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.455 -21.024 0.888 1.00 0.00 H new ATOM 927 N SER A 809 1.326 -20.621 -1.920 1.00 0.00 N ATOM 928 CA SER A 809 0.671 -20.842 -3.220 1.00 0.00 C ATOM 929 C SER A 809 1.306 -19.988 -4.323 1.00 0.00 C ATOM 930 O SER A 809 2.059 -19.051 -4.061 1.00 0.00 O ATOM 931 CB SER A 809 -0.836 -20.555 -3.104 1.00 0.00 C ATOM 932 OG SER A 809 -1.521 -20.838 -4.322 1.00 0.00 O ATOM 0 H SER A 809 1.644 -19.661 -1.788 1.00 0.00 H new ATOM 0 HA SER A 809 0.812 -21.886 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.260 -21.156 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 809 -0.988 -19.510 -2.835 1.00 0.00 H new ATOM 0 HG SER A 809 -2.476 -20.646 -4.212 1.00 0.00 H new ATOM 938 N LEU A 810 1.010 -20.338 -5.573 1.00 0.00 N ATOM 939 CA LEU A 810 1.476 -19.678 -6.783 1.00 0.00 C ATOM 940 C LEU A 810 0.455 -18.639 -7.289 1.00 0.00 C ATOM 941 O LEU A 810 0.766 -17.848 -8.184 1.00 0.00 O ATOM 942 CB LEU A 810 1.751 -20.770 -7.839 1.00 0.00 C ATOM 943 CG LEU A 810 2.829 -21.830 -7.503 1.00 0.00 C ATOM 944 CD1 LEU A 810 4.172 -21.188 -7.121 1.00 0.00 C ATOM 945 CD2 LEU A 810 2.438 -22.866 -6.438 1.00 0.00 C ATOM 0 H LEU A 810 0.405 -21.134 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 810 2.392 -19.123 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.815 -21.292 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 810 2.041 -20.276 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 810 2.928 -22.382 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.897 -21.969 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 810 4.537 -20.585 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 810 4.036 -20.553 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 810 3.266 -23.558 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 810 2.209 -22.357 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 810 1.561 -23.419 -6.774 1.00 0.00 H new ATOM 957 N ASP A 811 -0.752 -18.629 -6.713 1.00 0.00 N ATOM 958 CA ASP A 811 -1.867 -17.731 -7.026 1.00 0.00 C ATOM 959 C ASP A 811 -2.105 -16.715 -5.887 1.00 0.00 C ATOM 960 O ASP A 811 -1.493 -16.786 -4.818 1.00 0.00 O ATOM 961 CB ASP A 811 -3.115 -18.594 -7.312 1.00 0.00 C ATOM 962 CG ASP A 811 -4.295 -17.841 -7.958 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.059 -16.826 -8.654 1.00 0.00 O ATOM 964 OD2 ASP A 811 -5.455 -18.273 -7.761 1.00 0.00 O ATOM 0 H ASP A 811 -0.990 -19.288 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 811 -1.634 -17.138 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -2.827 -19.417 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -3.455 -19.036 -6.375 1.00 0.00 H new ATOM 969 N ARG A 812 -3.019 -15.768 -6.115 1.00 0.00 N ATOM 970 CA ARG A 812 -3.426 -14.724 -5.165 1.00 0.00 C ATOM 971 C ARG A 812 -4.081 -15.243 -3.868 1.00 0.00 C ATOM 972 O ARG A 812 -4.256 -14.465 -2.928 1.00 0.00 O ATOM 973 CB ARG A 812 -4.343 -13.723 -5.895 1.00 0.00 C ATOM 974 CG ARG A 812 -5.662 -14.347 -6.385 1.00 0.00 C ATOM 975 CD ARG A 812 -6.551 -13.290 -7.051 1.00 0.00 C ATOM 976 NE ARG A 812 -7.813 -13.868 -7.541 1.00 0.00 N ATOM 977 CZ ARG A 812 -7.992 -14.541 -8.674 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.005 -14.816 -9.499 1.00 0.00 N ATOM 979 NH2 ARG A 812 -9.195 -14.960 -9.000 1.00 0.00 N ATOM 0 H ARG A 812 -3.517 -15.703 -7.003 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.514 -14.236 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.569 -12.893 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.808 -13.307 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.449 -15.148 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.191 -14.796 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.768 -12.495 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.013 -12.834 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.635 -13.739 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.057 -14.510 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -7.188 -15.335 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -9.986 -14.768 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -9.337 -15.477 -9.868 1.00 0.00 H new ATOM 993 N LEU A 813 -4.427 -16.535 -3.804 1.00 0.00 N ATOM 994 CA LEU A 813 -5.004 -17.222 -2.643 1.00 0.00 C ATOM 995 C LEU A 813 -4.758 -18.742 -2.762 1.00 0.00 C ATOM 996 O LEU A 813 -4.828 -19.260 -3.882 1.00 0.00 O ATOM 997 CB LEU A 813 -6.515 -16.877 -2.577 1.00 0.00 C ATOM 998 CG LEU A 813 -7.207 -17.117 -1.220 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.723 -16.116 -0.153 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.723 -16.971 -1.381 1.00 0.00 C ATOM 0 H LEU A 813 -4.306 -17.160 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.532 -16.893 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.639 -15.828 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.034 -17.463 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 813 -6.953 -18.125 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.232 -16.315 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.647 -16.224 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.947 -15.100 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.209 -17.141 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.956 -15.966 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.084 -17.702 -2.105 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.474 -19.474 -1.661 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.356 -20.934 -1.671 1.00 0.00 C ATOM 1014 C PRO A 814 -5.729 -21.603 -1.848 1.00 0.00 C ATOM 1015 O PRO A 814 -6.764 -21.015 -1.543 1.00 0.00 O ATOM 1016 CB PRO A 814 -3.712 -21.310 -0.334 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.220 -20.206 0.586 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.223 -18.977 -0.317 1.00 0.00 C ATOM 0 HA PRO A 814 -3.751 -21.280 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.023 -22.298 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -2.624 -21.322 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.216 -20.427 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.569 -20.070 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -4.993 -18.269 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.269 -18.452 -0.266 1.00 0.00 H new ATOM 1026 N LYS A 815 -5.731 -22.844 -2.344 1.00 0.00 N ATOM 1027 CA LYS A 815 -6.953 -23.596 -2.695 1.00 0.00 C ATOM 1028 C LYS A 815 -7.549 -24.449 -1.551 1.00 0.00 C ATOM 1029 O LYS A 815 -8.679 -24.936 -1.654 1.00 0.00 O ATOM 1030 CB LYS A 815 -6.665 -24.440 -3.963 1.00 0.00 C ATOM 1031 CG LYS A 815 -6.009 -25.829 -3.761 1.00 0.00 C ATOM 1032 CD LYS A 815 -4.608 -25.820 -3.132 1.00 0.00 C ATOM 1033 CE LYS A 815 -4.108 -27.247 -2.865 1.00 0.00 C ATOM 1034 NZ LYS A 815 -3.657 -27.927 -4.103 1.00 0.00 N ATOM 0 H LYS A 815 -4.873 -23.368 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 815 -7.736 -22.864 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.607 -24.586 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -6.020 -23.855 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.665 -26.432 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -5.949 -26.326 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -3.912 -25.307 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -4.630 -25.259 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -3.285 -27.213 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -4.906 -27.829 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -3.555 -28.946 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -4.358 -27.778 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -2.741 -27.535 -4.400 1.00 0.00 H new ATOM 1048 N LYS A 816 -6.764 -24.697 -0.498 1.00 0.00 N ATOM 1049 CA LYS A 816 -6.996 -25.756 0.500 1.00 0.00 C ATOM 1050 C LYS A 816 -7.582 -25.244 1.827 1.00 0.00 C ATOM 1051 O LYS A 816 -7.327 -24.113 2.238 1.00 0.00 O ATOM 1052 CB LYS A 816 -5.685 -26.559 0.687 1.00 0.00 C ATOM 1053 CG LYS A 816 -4.419 -25.772 1.093 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.199 -25.588 2.605 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.906 -26.889 3.370 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.604 -27.503 2.991 1.00 0.00 N ATOM 0 H LYS A 816 -5.923 -24.152 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 816 -7.772 -26.420 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -5.863 -27.323 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -5.473 -27.079 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.549 -26.281 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -4.463 -24.787 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.370 -24.897 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.085 -25.121 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.907 -26.683 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.707 -27.604 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.452 -28.367 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.615 -27.743 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -1.835 -26.829 3.179 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.339 -26.092 2.521 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.805 -25.840 3.891 1.00 0.00 C ATOM 1072 C HIS A 817 -7.677 -26.074 4.918 1.00 0.00 C ATOM 1073 O HIS A 817 -6.734 -26.835 4.674 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.014 -26.741 4.194 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.265 -26.378 3.428 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.614 -26.808 2.165 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.283 -25.577 3.873 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.806 -26.270 1.858 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.260 -25.509 2.871 1.00 0.00 N ATOM 0 H HIS A 817 -8.652 -26.987 2.146 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.106 -24.796 3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.749 -27.774 3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.229 -26.695 5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.325 -25.082 4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.329 -26.427 0.926 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.137 -24.989 2.903 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.774 -25.423 6.080 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.800 -25.504 7.167 1.00 0.00 C ATOM 1089 C CYS A 818 -6.665 -26.928 7.744 1.00 0.00 C ATOM 1090 O CYS A 818 -7.641 -27.661 7.911 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.218 -24.475 8.222 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.989 -24.356 9.562 1.00 0.00 S ATOM 0 H CYS A 818 -8.558 -24.806 6.295 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.802 -25.274 6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.341 -23.499 7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.186 -24.752 8.639 1.00 0.00 H new ATOM 1097 N SER A 819 -5.436 -27.311 8.075 1.00 0.00 N ATOM 1098 CA SER A 819 -5.117 -28.583 8.742 1.00 0.00 C ATOM 1099 C SER A 819 -5.305 -28.522 10.273 1.00 0.00 C ATOM 1100 O SER A 819 -5.464 -29.561 10.926 1.00 0.00 O ATOM 1101 CB SER A 819 -3.670 -28.970 8.390 1.00 0.00 C ATOM 1102 OG SER A 819 -3.387 -30.330 8.687 1.00 0.00 O ATOM 0 H SER A 819 -4.613 -26.739 7.886 1.00 0.00 H new ATOM 0 HA SER A 819 -5.815 -29.340 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.496 -28.788 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 819 -2.981 -28.329 8.941 1.00 0.00 H new ATOM 0 HG SER A 819 -2.459 -30.531 8.446 1.00 0.00 H new ATOM 1108 N THR A 820 -5.305 -27.307 10.845 1.00 0.00 N ATOM 1109 CA THR A 820 -5.290 -27.055 12.296 1.00 0.00 C ATOM 1110 C THR A 820 -6.687 -26.788 12.856 1.00 0.00 C ATOM 1111 O THR A 820 -6.975 -27.262 13.957 1.00 0.00 O ATOM 1112 CB THR A 820 -4.328 -25.896 12.600 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.043 -26.242 12.133 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.199 -25.562 14.085 1.00 0.00 C ATOM 0 H THR A 820 -5.316 -26.448 10.295 1.00 0.00 H new ATOM 0 HA THR A 820 -4.936 -27.956 12.797 1.00 0.00 H new ATOM 0 HB THR A 820 -4.743 -25.019 12.103 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.419 -25.510 12.319 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.502 -24.734 14.212 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.175 -25.279 14.480 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.828 -26.434 14.623 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.556 -26.078 12.126 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.925 -25.745 12.560 1.00 0.00 C ATOM 1124 C CYS A 821 -10.052 -26.060 11.543 1.00 0.00 C ATOM 1125 O CYS A 821 -11.227 -26.099 11.922 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.960 -24.285 13.041 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.806 -23.072 11.691 1.00 0.00 S ATOM 0 H CYS A 821 -7.327 -25.711 11.202 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.157 -26.419 13.385 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.895 -24.108 13.573 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -8.152 -24.127 13.755 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.717 -26.349 10.279 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.618 -26.972 9.292 1.00 0.00 C ATOM 1134 C GLY A 822 -11.365 -26.008 8.360 1.00 0.00 C ATOM 1135 O GLY A 822 -11.965 -26.467 7.385 1.00 0.00 O ATOM 0 H GLY A 822 -8.790 -26.153 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.034 -27.659 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.354 -27.571 9.829 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.351 -24.696 8.633 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.032 -23.662 7.836 1.00 0.00 C ATOM 1141 C LEU A 823 -11.169 -23.102 6.679 1.00 0.00 C ATOM 1142 O LEU A 823 -10.129 -23.667 6.334 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.631 -22.596 8.793 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.692 -21.876 9.785 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.474 -21.209 9.128 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.499 -20.809 10.543 1.00 0.00 C ATOM 0 H LEU A 823 -10.852 -24.312 9.436 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.864 -24.116 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -13.110 -21.833 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.417 -23.078 9.374 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.298 -22.642 10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.867 -20.726 9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.878 -21.964 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.812 -20.463 8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.847 -20.292 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.908 -20.090 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.314 -21.287 11.086 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.617 -21.999 6.065 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.956 -21.302 4.959 1.00 0.00 C ATOM 1160 C PHE A 824 -10.999 -19.775 5.180 1.00 0.00 C ATOM 1161 O PHE A 824 -11.991 -19.111 4.860 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.650 -21.738 3.654 1.00 0.00 C ATOM 1163 CG PHE A 824 -10.962 -21.262 2.391 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -9.886 -22.003 1.865 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.393 -20.094 1.731 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.234 -21.572 0.695 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.741 -19.663 0.563 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.663 -20.400 0.046 1.00 0.00 C ATOM 0 H PHE A 824 -12.490 -21.549 6.340 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.900 -21.564 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.708 -22.826 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.674 -21.364 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.560 -22.905 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.226 -19.529 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.406 -22.140 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.069 -18.764 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.163 -20.066 -0.851 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.924 -19.223 5.758 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.793 -17.804 6.158 1.00 0.00 C ATOM 1180 C LYS A 825 -8.358 -17.255 5.928 1.00 0.00 C ATOM 1181 O LYS A 825 -7.869 -16.404 6.677 1.00 0.00 O ATOM 1182 CB LYS A 825 -10.251 -17.628 7.632 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.757 -17.822 7.918 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.640 -16.752 7.252 1.00 0.00 C ATOM 1185 CE LYS A 825 -14.133 -16.959 7.553 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.480 -16.696 8.976 1.00 0.00 N ATOM 0 H LYS A 825 -9.088 -19.767 5.970 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.445 -17.210 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.694 -18.334 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.969 -16.627 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -12.063 -18.807 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.922 -17.802 8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.335 -15.765 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.482 -16.774 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.722 -16.301 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -14.411 -17.982 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.504 -16.818 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.967 -17.363 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.212 -15.722 9.224 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.656 -17.761 4.904 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.275 -17.389 4.582 1.00 0.00 C ATOM 1202 C TRP A 826 -6.104 -15.887 4.267 1.00 0.00 C ATOM 1203 O TRP A 826 -6.947 -15.278 3.608 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.788 -18.245 3.406 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.729 -19.712 3.686 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.567 -20.646 3.187 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.773 -20.441 4.513 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.189 -21.898 3.634 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.106 -21.829 4.481 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.656 -20.066 5.294 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.377 -22.790 5.204 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.920 -21.021 6.019 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.282 -22.378 5.983 1.00 0.00 C ATOM 0 H TRP A 826 -8.043 -18.455 4.264 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.669 -17.579 5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.447 -18.077 2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.795 -17.904 3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.406 -20.445 2.537 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.655 -22.766 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.362 -19.028 5.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.655 -23.833 5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.070 -20.709 6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.720 -23.103 6.553 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.978 -15.326 4.707 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.556 -13.938 4.511 1.00 0.00 C ATOM 1226 C GLU A 827 -3.120 -13.895 3.983 1.00 0.00 C ATOM 1227 O GLU A 827 -2.249 -14.610 4.486 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.665 -13.217 5.862 1.00 0.00 C ATOM 1229 CG GLU A 827 -4.195 -11.756 5.810 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.644 -10.975 7.054 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -3.957 -11.053 8.103 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.680 -10.268 6.994 1.00 0.00 O ATOM 0 H GLU A 827 -4.294 -15.861 5.243 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.192 -13.443 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.701 -13.246 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -4.073 -13.756 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.108 -11.725 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.592 -11.277 4.915 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.860 -13.048 2.982 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.518 -12.834 2.428 1.00 0.00 C ATOM 1241 C ARG A 828 -0.599 -12.201 3.483 1.00 0.00 C ATOM 1242 O ARG A 828 -0.953 -11.186 4.090 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.617 -11.955 1.168 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.271 -11.662 0.475 1.00 0.00 C ATOM 1245 CD ARG A 828 0.363 -12.892 -0.177 1.00 0.00 C ATOM 1246 NE ARG A 828 1.749 -12.617 -0.599 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.147 -12.240 -1.808 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.324 -11.994 -2.805 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.421 -12.106 -2.072 1.00 0.00 N ATOM 0 H ARG A 828 -3.581 -12.486 2.529 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.083 -13.793 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.279 -12.443 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.084 -11.008 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.423 -10.896 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.423 -11.251 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.353 -13.725 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.229 -13.195 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 828 2.475 -12.728 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.317 -12.090 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.693 -11.707 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.114 -12.291 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.721 -11.816 -3.003 1.00 0.00 H new ATOM 1263 N VAL A 829 0.588 -12.774 3.672 1.00 0.00 N ATOM 1264 CA VAL A 829 1.652 -12.265 4.557 1.00 0.00 C ATOM 1265 C VAL A 829 2.977 -12.134 3.785 1.00 0.00 C ATOM 1266 O VAL A 829 3.061 -12.485 2.601 1.00 0.00 O ATOM 1267 CB VAL A 829 1.819 -13.128 5.834 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.565 -13.066 6.724 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.150 -14.594 5.539 1.00 0.00 C ATOM 0 H VAL A 829 0.852 -13.638 3.199 1.00 0.00 H new ATOM 0 HA VAL A 829 1.352 -11.273 4.895 1.00 0.00 H new ATOM 0 HB VAL A 829 2.669 -12.695 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.717 -13.682 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.384 -12.034 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.295 -13.437 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.253 -15.140 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.348 -15.036 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.085 -14.651 4.982 1.00 0.00 H new ATOM 1279 N GLY A 830 4.005 -11.585 4.443 1.00 0.00 N ATOM 1280 CA GLY A 830 5.297 -11.256 3.832 1.00 0.00 C ATOM 1281 C GLY A 830 6.267 -12.436 3.702 1.00 0.00 C ATOM 1282 O GLY A 830 5.992 -13.568 4.101 1.00 0.00 O ATOM 0 H GLY A 830 3.960 -11.353 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.118 -10.840 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.774 -10.475 4.424 1.00 0.00 H new ATOM 1286 N MET A 831 7.427 -12.144 3.113 1.00 0.00 N ATOM 1287 CA MET A 831 8.514 -13.097 2.855 1.00 0.00 C ATOM 1288 C MET A 831 9.301 -13.390 4.149 1.00 0.00 C ATOM 1289 O MET A 831 9.421 -12.525 5.025 1.00 0.00 O ATOM 1290 CB MET A 831 9.377 -12.526 1.720 1.00 0.00 C ATOM 1291 CG MET A 831 10.370 -13.522 1.108 1.00 0.00 C ATOM 1292 SD MET A 831 11.937 -13.785 1.984 1.00 0.00 S ATOM 1293 CE MET A 831 12.706 -12.165 1.747 1.00 0.00 C ATOM 0 H MET A 831 7.646 -11.202 2.789 1.00 0.00 H new ATOM 0 HA MET A 831 8.128 -14.064 2.534 1.00 0.00 H new ATOM 0 HB2 MET A 831 8.720 -12.158 0.932 1.00 0.00 H new ATOM 0 HB3 MET A 831 9.931 -11.668 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 831 9.868 -14.486 1.019 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.602 -13.188 0.097 1.00 0.00 H new ATOM 0 HE1 MET A 831 13.768 -12.228 1.983 1.00 0.00 H new ATOM 0 HE2 MET A 831 12.583 -11.852 0.710 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.231 -11.437 2.405 1.00 0.00 H new ATOM 1303 N LEU A 832 9.817 -14.616 4.276 1.00 0.00 N ATOM 1304 CA LEU A 832 10.391 -15.156 5.515 1.00 0.00 C ATOM 1305 C LEU A 832 11.756 -14.516 5.822 1.00 0.00 C ATOM 1306 O LEU A 832 12.771 -14.872 5.222 1.00 0.00 O ATOM 1307 CB LEU A 832 10.490 -16.697 5.400 1.00 0.00 C ATOM 1308 CG LEU A 832 9.177 -17.513 5.410 1.00 0.00 C ATOM 1309 CD1 LEU A 832 8.387 -17.314 6.714 1.00 0.00 C ATOM 1310 CD2 LEU A 832 8.260 -17.251 4.201 1.00 0.00 C ATOM 0 H LEU A 832 9.849 -15.278 3.501 1.00 0.00 H new ATOM 0 HA LEU A 832 9.738 -14.910 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 832 11.020 -16.929 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 832 11.111 -17.054 6.222 1.00 0.00 H new ATOM 0 HG LEU A 832 9.503 -18.551 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 832 7.472 -17.905 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 832 8.994 -17.636 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 832 8.134 -16.260 6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 832 7.362 -17.863 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 832 7.981 -16.198 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 832 8.787 -17.507 3.282 1.00 0.00 H new ATOM 1322 N LYS A 833 11.787 -13.599 6.798 1.00 0.00 N ATOM 1323 CA LYS A 833 13.000 -12.895 7.258 1.00 0.00 C ATOM 1324 C LYS A 833 13.848 -13.689 8.277 1.00 0.00 C ATOM 1325 O LYS A 833 14.898 -13.226 8.725 1.00 0.00 O ATOM 1326 CB LYS A 833 12.572 -11.516 7.794 1.00 0.00 C ATOM 1327 CG LYS A 833 11.684 -11.600 9.054 1.00 0.00 C ATOM 1328 CD LYS A 833 11.198 -10.230 9.530 1.00 0.00 C ATOM 1329 CE LYS A 833 10.192 -9.614 8.555 1.00 0.00 C ATOM 1330 NZ LYS A 833 9.657 -8.329 9.074 1.00 0.00 N ATOM 0 H LYS A 833 10.949 -13.316 7.305 1.00 0.00 H new ATOM 0 HA LYS A 833 13.673 -12.778 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 833 13.462 -10.931 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 833 12.032 -10.982 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 833 10.822 -12.233 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 833 12.244 -12.080 9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 833 10.738 -10.329 10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 833 12.051 -9.561 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 833 10.672 -9.448 7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 833 9.371 -10.311 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 8.978 -7.935 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 9.179 -8.494 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 10.439 -7.657 9.211 1.00 0.00 H new ATOM 1344 N GLU A 834 13.373 -14.878 8.646 1.00 0.00 N ATOM 1345 CA GLU A 834 13.942 -15.783 9.644 1.00 0.00 C ATOM 1346 C GLU A 834 13.641 -17.239 9.237 1.00 0.00 C ATOM 1347 O GLU A 834 12.755 -17.902 9.779 1.00 0.00 O ATOM 1348 CB GLU A 834 13.418 -15.396 11.043 1.00 0.00 C ATOM 1349 CG GLU A 834 14.144 -16.166 12.151 1.00 0.00 C ATOM 1350 CD GLU A 834 13.698 -15.691 13.540 1.00 0.00 C ATOM 1351 OE1 GLU A 834 12.688 -16.216 14.071 1.00 0.00 O ATOM 1352 OE2 GLU A 834 14.347 -14.789 14.120 1.00 0.00 O ATOM 0 H GLU A 834 12.524 -15.260 8.228 1.00 0.00 H new ATOM 0 HA GLU A 834 15.027 -15.695 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 834 13.549 -14.325 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 834 12.348 -15.598 11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 834 13.945 -17.233 12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 834 15.221 -16.031 12.046 1.00 0.00 H new ATOM 1359 N LYS A 835 14.342 -17.717 8.205 1.00 0.00 N ATOM 1360 CA LYS A 835 14.164 -19.053 7.627 1.00 0.00 C ATOM 1361 C LYS A 835 14.665 -20.187 8.547 1.00 0.00 C ATOM 1362 O LYS A 835 15.677 -20.031 9.245 1.00 0.00 O ATOM 1363 CB LYS A 835 14.885 -19.082 6.264 1.00 0.00 C ATOM 1364 CG LYS A 835 14.300 -18.080 5.255 1.00 0.00 C ATOM 1365 CD LYS A 835 15.107 -18.098 3.954 1.00 0.00 C ATOM 1366 CE LYS A 835 14.506 -17.221 2.843 1.00 0.00 C ATOM 1367 NZ LYS A 835 14.566 -15.771 3.176 1.00 0.00 N ATOM 0 H LYS A 835 15.067 -17.173 7.737 1.00 0.00 H new ATOM 0 HA LYS A 835 13.097 -19.237 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 835 15.942 -18.864 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 835 14.823 -20.087 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 835 13.259 -18.329 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 835 14.309 -17.077 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 835 16.123 -17.761 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 835 15.179 -19.125 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 835 15.042 -17.400 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 835 13.469 -17.511 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 14.342 -15.211 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 13.876 -15.558 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 15.522 -15.530 3.508 1.00 0.00 H new ATOM 1381 N THR A 836 13.988 -21.341 8.509 1.00 0.00 N ATOM 1382 CA THR A 836 14.359 -22.581 9.223 1.00 0.00 C ATOM 1383 C THR A 836 15.397 -23.387 8.443 1.00 0.00 C ATOM 1384 O THR A 836 15.517 -23.245 7.222 1.00 0.00 O ATOM 1385 CB THR A 836 13.115 -23.433 9.507 1.00 0.00 C ATOM 1386 OG1 THR A 836 12.386 -23.642 8.310 1.00 0.00 O ATOM 1387 CG2 THR A 836 12.193 -22.744 10.516 1.00 0.00 C ATOM 0 H THR A 836 13.134 -21.447 7.961 1.00 0.00 H new ATOM 0 HA THR A 836 14.809 -22.294 10.174 1.00 0.00 H new ATOM 0 HB THR A 836 13.454 -24.384 9.918 1.00 0.00 H new ATOM 0 HG1 THR A 836 11.595 -24.188 8.500 1.00 0.00 H new ATOM 0 HG21 THR A 836 11.320 -23.371 10.698 1.00 0.00 H new ATOM 0 HG22 THR A 836 12.730 -22.588 11.452 1.00 0.00 H new ATOM 0 HG23 THR A 836 11.872 -21.782 10.118 1.00 0.00 H new ATOM 1395 N GLY A 837 16.150 -24.239 9.146 1.00 0.00 N ATOM 1396 CA GLY A 837 17.139 -25.166 8.570 1.00 0.00 C ATOM 1397 C GLY A 837 16.712 -26.642 8.665 1.00 0.00 C ATOM 1398 O GLY A 837 15.867 -26.975 9.510 1.00 0.00 O ATOM 0 H GLY A 837 16.089 -24.307 10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 837 17.303 -24.908 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 837 18.092 -25.036 9.083 1.00 0.00 H new ATOM 1402 N PRO A 838 17.288 -27.534 7.832 1.00 0.00 N ATOM 1403 CA PRO A 838 17.037 -28.969 7.878 1.00 0.00 C ATOM 1404 C PRO A 838 17.745 -29.618 9.074 1.00 0.00 C ATOM 1405 O PRO A 838 18.712 -29.082 9.620 1.00 0.00 O ATOM 1406 CB PRO A 838 17.557 -29.516 6.541 1.00 0.00 C ATOM 1407 CG PRO A 838 18.724 -28.577 6.231 1.00 0.00 C ATOM 1408 CD PRO A 838 18.242 -27.227 6.775 1.00 0.00 C ATOM 0 HA PRO A 838 15.979 -29.192 8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 838 17.882 -30.553 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 838 16.793 -29.484 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 838 19.643 -28.902 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 838 18.930 -28.530 5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 838 19.077 -26.642 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 838 17.775 -26.634 5.988 1.00 0.00 H new ATOM 1416 N LYS A 839 17.274 -30.802 9.478 1.00 0.00 N ATOM 1417 CA LYS A 839 17.824 -31.564 10.613 1.00 0.00 C ATOM 1418 C LYS A 839 19.105 -32.361 10.263 1.00 0.00 C ATOM 1419 O LYS A 839 19.806 -32.832 11.168 1.00 0.00 O ATOM 1420 CB LYS A 839 16.724 -32.496 11.174 1.00 0.00 C ATOM 1421 CG LYS A 839 15.731 -31.810 12.133 1.00 0.00 C ATOM 1422 CD LYS A 839 14.883 -30.696 11.499 1.00 0.00 C ATOM 1423 CE LYS A 839 13.843 -30.189 12.509 1.00 0.00 C ATOM 1424 NZ LYS A 839 13.030 -29.081 11.946 1.00 0.00 N ATOM 0 H LYS A 839 16.489 -31.268 9.022 1.00 0.00 H new ATOM 0 HA LYS A 839 18.132 -30.845 11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 839 16.167 -32.923 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 839 17.200 -33.325 11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 839 15.062 -32.567 12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 839 16.288 -31.390 12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 839 15.525 -29.874 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 839 14.382 -31.072 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 839 13.188 -31.010 12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 839 14.348 -29.848 13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 12.338 -28.763 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 13.653 -28.288 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 12.529 -29.414 11.098 1.00 0.00 H new ATOM 1438 N LEU A 840 19.429 -32.491 8.970 1.00 0.00 N ATOM 1439 CA LEU A 840 20.572 -33.241 8.430 1.00 0.00 C ATOM 1440 C LEU A 840 20.928 -32.730 7.020 1.00 0.00 C ATOM 1441 O LEU A 840 20.053 -32.279 6.274 1.00 0.00 O ATOM 1442 CB LEU A 840 20.210 -34.750 8.432 1.00 0.00 C ATOM 1443 CG LEU A 840 21.328 -35.728 8.007 1.00 0.00 C ATOM 1444 CD1 LEU A 840 22.544 -35.669 8.949 1.00 0.00 C ATOM 1445 CD2 LEU A 840 20.771 -37.160 7.989 1.00 0.00 C ATOM 0 H LEU A 840 18.873 -32.054 8.235 1.00 0.00 H new ATOM 0 HA LEU A 840 21.457 -33.093 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 840 19.883 -35.021 9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 840 19.358 -34.897 7.769 1.00 0.00 H new ATOM 0 HG LEU A 840 21.664 -35.432 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 840 23.302 -36.374 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 840 22.958 -34.661 8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 840 22.234 -35.930 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 840 21.558 -37.853 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 840 20.415 -37.424 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 840 19.945 -37.220 7.280 1.00 0.00 H new ATOM 1457 N GLY A 841 22.210 -32.799 6.647 1.00 0.00 N ATOM 1458 CA GLY A 841 22.733 -32.402 5.330 1.00 0.00 C ATOM 1459 C GLY A 841 22.585 -33.484 4.253 1.00 0.00 C ATOM 1460 O GLY A 841 21.895 -34.490 4.442 1.00 0.00 O ATOM 0 H GLY A 841 22.938 -33.144 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 841 22.215 -31.501 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 841 23.787 -32.145 5.431 1.00 0.00 H new ATOM 1464 N GLY A 842 23.264 -33.279 3.119 1.00 0.00 N ATOM 1465 CA GLY A 842 23.273 -34.181 1.954 1.00 0.00 C ATOM 1466 C GLY A 842 24.303 -33.779 0.892 1.00 0.00 C ATOM 1467 O GLY A 842 25.047 -34.670 0.425 1.00 0.00 O ATOM 1468 OXT GLY A 842 24.363 -32.577 0.545 1.00 0.00 O ATOM 0 H GLY A 842 23.844 -32.452 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 842 23.483 -35.197 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 842 22.281 -34.193 1.503 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.275 -35.481 -10.478 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.654 -22.403 10.835 1.00 0.00 ZN