USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (11 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 Set 1.1: A 759 HIS : no HE2:sc= -0.993 K(o=-1.5,f=-8.8!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= -0.496 K(o=-1.5,f=-8.5!) USER MOD Set 2.1: A 751 ASN : amide:sc= -0.0573 X(o=-0.047,f=-0.31) USER MOD Set 2.2: A 752 SER OG : rot 180:sc= 0.0106 USER MOD Set 3.1: A 737 MET CE :methyl -148:sc= -0.129 (180deg=-0.317) USER MOD Set 3.2: A 765 HIS : no HE2:sc= 1.32 K(o=1.2,f=-7.8!) USER MOD Set 4.1: A 728 HIS : no HD1:sc= -0.0104 X(o=-0.65,f=-0.72) USER MOD Set 4.2: A 732 MET CE :methyl -174:sc= -0.641 (180deg=-0.722) USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 723 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.3) USER MOD Single : A 739 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 740 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0808) USER MOD Single : A 741 LYS NZ :NH3+ 169:sc=-0.00741 (180deg=-0.143) USER MOD Single : A 742 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 749 SER OG : rot -151:sc= -1.18 USER MOD Single : A 753 HIS : no HE2:sc= 0.00156 K(o=0.0016,f=-0.62) USER MOD Single : A 760 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.85) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 772 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot -107:sc= 1.2 USER MOD Single : A 784 LYS NZ :NH3+ -166:sc= 1.46 (180deg=1.3) USER MOD Single : A 801 DGP O3' : rot 180:sc= -0.563 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 717 -8.714 -19.399 -4.676 1.00 0.00 N ATOM 2 CA PRO A 717 -9.033 -17.989 -4.969 1.00 0.00 C ATOM 3 C PRO A 717 -8.354 -17.516 -6.253 1.00 0.00 C ATOM 4 O PRO A 717 -9.024 -17.103 -7.199 1.00 0.00 O ATOM 5 CB PRO A 717 -8.595 -17.136 -3.787 1.00 0.00 C ATOM 6 CG PRO A 717 -8.112 -18.130 -2.781 1.00 0.00 C ATOM 7 CD PRO A 717 -8.640 -19.483 -3.211 1.00 0.00 C ATOM 0 HA PRO A 717 -10.108 -17.892 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 717 -7.806 -16.439 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 717 -9.421 -16.542 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 717 -7.023 -18.137 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 717 -8.470 -17.875 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 717 -7.977 -20.288 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 717 -9.618 -19.684 -2.775 1.00 0.00 H new ATOM 15 N GLU A 718 -7.029 -17.592 -6.286 1.00 0.00 N ATOM 16 CA GLU A 718 -6.265 -17.101 -7.426 1.00 0.00 C ATOM 17 C GLU A 718 -6.370 -18.038 -8.619 1.00 0.00 C ATOM 18 O GLU A 718 -6.531 -19.251 -8.463 1.00 0.00 O ATOM 19 CB GLU A 718 -4.793 -16.923 -7.059 1.00 0.00 C ATOM 20 CG GLU A 718 -4.543 -15.856 -6.012 1.00 0.00 C ATOM 21 CD GLU A 718 -3.068 -15.619 -5.780 1.00 0.00 C ATOM 22 OE1 GLU A 718 -2.475 -14.803 -6.512 1.00 0.00 O ATOM 23 OE2 GLU A 718 -2.490 -16.251 -4.868 1.00 0.00 O ATOM 0 H GLU A 718 -6.462 -17.989 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 718 -6.692 -16.136 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 718 -4.403 -17.873 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 718 -4.232 -16.672 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 718 -5.014 -14.924 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 718 -5.014 -16.152 -5.074 1.00 0.00 H new ATOM 30 N GLY A 719 -6.283 -17.458 -9.804 1.00 0.00 N ATOM 31 CA GLY A 719 -6.238 -18.230 -11.024 1.00 0.00 C ATOM 32 C GLY A 719 -5.227 -17.656 -11.988 1.00 0.00 C ATOM 33 O GLY A 719 -5.504 -16.670 -12.671 1.00 0.00 O ATOM 0 H GLY A 719 -6.242 -16.448 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -5.982 -19.264 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -7.224 -18.241 -11.489 1.00 0.00 H new ATOM 37 N VAL A 720 -4.046 -18.262 -12.037 1.00 0.00 N ATOM 38 CA VAL A 720 -2.951 -17.751 -12.861 1.00 0.00 C ATOM 39 C VAL A 720 -3.144 -18.117 -14.331 1.00 0.00 C ATOM 40 O VAL A 720 -2.286 -18.738 -14.955 1.00 0.00 O ATOM 41 CB VAL A 720 -1.577 -18.251 -12.359 1.00 0.00 C ATOM 42 CG1 VAL A 720 -1.223 -17.591 -11.035 1.00 0.00 C ATOM 43 CG2 VAL A 720 -1.567 -19.766 -12.213 1.00 0.00 C ATOM 0 H VAL A 720 -3.820 -19.109 -11.516 1.00 0.00 H new ATOM 0 HA VAL A 720 -2.967 -16.665 -12.772 1.00 0.00 H new ATOM 0 HB VAL A 720 -0.827 -17.976 -13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 720 -0.253 -17.954 -10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 720 -1.180 -16.510 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 720 -1.982 -17.836 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 720 -0.589 -20.091 -11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 720 -2.331 -20.068 -11.497 1.00 0.00 H new ATOM 0 HG23 VAL A 720 -1.774 -20.226 -13.179 1.00 0.00 H new ATOM 53 N GLU A 721 -4.283 -17.719 -14.875 1.00 0.00 N ATOM 54 CA GLU A 721 -4.618 -17.994 -16.261 1.00 0.00 C ATOM 55 C GLU A 721 -3.835 -17.077 -17.194 1.00 0.00 C ATOM 56 O GLU A 721 -3.054 -17.536 -18.031 1.00 0.00 O ATOM 57 CB GLU A 721 -6.118 -17.794 -16.477 1.00 0.00 C ATOM 58 CG GLU A 721 -6.585 -18.123 -17.883 1.00 0.00 C ATOM 59 CD GLU A 721 -8.019 -17.715 -18.122 1.00 0.00 C ATOM 60 OE1 GLU A 721 -8.928 -18.499 -17.789 1.00 0.00 O ATOM 61 OE2 GLU A 721 -8.245 -16.600 -18.643 1.00 0.00 O ATOM 0 H GLU A 721 -4.999 -17.198 -14.369 1.00 0.00 H new ATOM 0 HA GLU A 721 -4.352 -19.027 -16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -6.664 -18.417 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -6.373 -16.758 -16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -5.941 -17.619 -18.604 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -6.481 -19.194 -18.057 1.00 0.00 H new ATOM 68 N SER A 722 -4.043 -15.779 -17.026 1.00 0.00 N ATOM 69 CA SER A 722 -3.421 -14.778 -17.875 1.00 0.00 C ATOM 70 C SER A 722 -1.951 -14.596 -17.518 1.00 0.00 C ATOM 71 O SER A 722 -1.612 -13.858 -16.592 1.00 0.00 O ATOM 72 CB SER A 722 -4.164 -13.451 -17.733 1.00 0.00 C ATOM 73 OG SER A 722 -5.565 -13.641 -17.861 1.00 0.00 O ATOM 0 H SER A 722 -4.646 -15.393 -16.299 1.00 0.00 H new ATOM 0 HA SER A 722 -3.478 -15.117 -18.909 1.00 0.00 H new ATOM 0 HB2 SER A 722 -3.940 -13.006 -16.764 1.00 0.00 H new ATOM 0 HB3 SER A 722 -3.816 -12.751 -18.493 1.00 0.00 H new ATOM 0 HG SER A 722 -6.022 -12.779 -17.765 1.00 0.00 H new ATOM 79 N GLN A 723 -1.086 -15.293 -18.237 1.00 0.00 N ATOM 80 CA GLN A 723 0.345 -15.157 -18.045 1.00 0.00 C ATOM 81 C GLN A 723 0.926 -14.314 -19.173 1.00 0.00 C ATOM 82 O GLN A 723 1.396 -14.844 -20.182 1.00 0.00 O ATOM 83 CB GLN A 723 1.021 -16.529 -18.002 1.00 0.00 C ATOM 84 CG GLN A 723 2.135 -16.618 -16.974 1.00 0.00 C ATOM 85 CD GLN A 723 1.615 -16.609 -15.548 1.00 0.00 C ATOM 86 OE1 GLN A 723 1.306 -17.656 -14.980 1.00 0.00 O ATOM 87 NE2 GLN A 723 1.522 -15.429 -14.957 1.00 0.00 N ATOM 0 H GLN A 723 -1.353 -15.960 -18.961 1.00 0.00 H new ATOM 0 HA GLN A 723 0.530 -14.663 -17.091 1.00 0.00 H new ATOM 0 HB2 GLN A 723 0.271 -17.289 -17.782 1.00 0.00 H new ATOM 0 HB3 GLN A 723 1.426 -16.758 -18.988 1.00 0.00 H new ATOM 0 HG2 GLN A 723 2.708 -17.530 -17.142 1.00 0.00 H new ATOM 0 HG3 GLN A 723 2.820 -15.781 -17.112 1.00 0.00 H new ATOM 0 HE21 GLN A 723 1.788 -14.583 -15.462 1.00 0.00 H new ATOM 0 HE22 GLN A 723 1.184 -15.365 -13.997 1.00 0.00 H new ATOM 96 N ASP A 724 0.844 -13.001 -19.020 1.00 0.00 N ATOM 97 CA ASP A 724 1.279 -12.083 -20.064 1.00 0.00 C ATOM 98 C ASP A 724 2.499 -11.291 -19.608 1.00 0.00 C ATOM 99 O ASP A 724 2.988 -11.478 -18.492 1.00 0.00 O ATOM 100 CB ASP A 724 0.144 -11.126 -20.443 1.00 0.00 C ATOM 101 CG ASP A 724 -0.071 -10.032 -19.416 1.00 0.00 C ATOM 102 OD1 ASP A 724 -0.606 -10.326 -18.326 1.00 0.00 O ATOM 103 OD2 ASP A 724 0.284 -8.868 -19.702 1.00 0.00 O ATOM 0 H ASP A 724 0.480 -12.546 -18.183 1.00 0.00 H new ATOM 0 HA ASP A 724 1.552 -12.670 -20.941 1.00 0.00 H new ATOM 0 HB2 ASP A 724 0.365 -10.672 -21.409 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -0.779 -11.693 -20.561 1.00 0.00 H new ATOM 108 N GLY A 725 2.979 -10.403 -20.467 1.00 0.00 N ATOM 109 CA GLY A 725 4.177 -9.651 -20.159 1.00 0.00 C ATOM 110 C GLY A 725 5.409 -10.470 -20.446 1.00 0.00 C ATOM 111 O GLY A 725 6.094 -10.925 -19.530 1.00 0.00 O ATOM 0 H GLY A 725 2.559 -10.190 -21.372 1.00 0.00 H new ATOM 0 HA2 GLY A 725 4.198 -8.734 -20.748 1.00 0.00 H new ATOM 0 HA3 GLY A 725 4.167 -9.355 -19.110 1.00 0.00 H new ATOM 115 N VAL A 726 5.702 -10.653 -21.722 1.00 0.00 N ATOM 116 CA VAL A 726 6.744 -11.563 -22.122 1.00 0.00 C ATOM 117 C VAL A 726 7.978 -10.809 -22.578 1.00 0.00 C ATOM 118 O VAL A 726 7.993 -10.154 -23.623 1.00 0.00 O ATOM 119 CB VAL A 726 6.266 -12.542 -23.221 1.00 0.00 C ATOM 120 CG1 VAL A 726 5.609 -11.802 -24.377 1.00 0.00 C ATOM 121 CG2 VAL A 726 7.420 -13.402 -23.716 1.00 0.00 C ATOM 0 H VAL A 726 5.230 -10.181 -22.493 1.00 0.00 H new ATOM 0 HA VAL A 726 7.005 -12.156 -21.246 1.00 0.00 H new ATOM 0 HB VAL A 726 5.515 -13.196 -22.778 1.00 0.00 H new ATOM 0 HG11 VAL A 726 5.285 -12.519 -25.131 1.00 0.00 H new ATOM 0 HG12 VAL A 726 4.746 -11.247 -24.010 1.00 0.00 H new ATOM 0 HG13 VAL A 726 6.325 -11.109 -24.819 1.00 0.00 H new ATOM 0 HG21 VAL A 726 7.061 -14.083 -24.488 1.00 0.00 H new ATOM 0 HG22 VAL A 726 8.199 -12.762 -24.130 1.00 0.00 H new ATOM 0 HG23 VAL A 726 7.827 -13.978 -22.885 1.00 0.00 H new ATOM 131 N ASP A 727 8.997 -10.875 -21.756 1.00 0.00 N ATOM 132 CA ASP A 727 10.296 -10.353 -22.115 1.00 0.00 C ATOM 133 C ASP A 727 11.330 -11.435 -21.858 1.00 0.00 C ATOM 134 O ASP A 727 11.362 -12.014 -20.770 1.00 0.00 O ATOM 135 CB ASP A 727 10.625 -9.084 -21.324 1.00 0.00 C ATOM 136 CG ASP A 727 11.991 -8.512 -21.667 1.00 0.00 C ATOM 137 OD1 ASP A 727 13.011 -9.109 -21.260 1.00 0.00 O ATOM 138 OD2 ASP A 727 12.042 -7.464 -22.345 1.00 0.00 O ATOM 0 H ASP A 727 8.952 -11.289 -20.825 1.00 0.00 H new ATOM 0 HA ASP A 727 10.299 -10.077 -23.169 1.00 0.00 H new ATOM 0 HB2 ASP A 727 9.862 -8.331 -21.520 1.00 0.00 H new ATOM 0 HB3 ASP A 727 10.587 -9.306 -20.258 1.00 0.00 H new ATOM 143 N HIS A 728 12.153 -11.718 -22.859 1.00 0.00 N ATOM 144 CA HIS A 728 13.076 -12.847 -22.805 1.00 0.00 C ATOM 145 C HIS A 728 14.015 -12.742 -21.605 1.00 0.00 C ATOM 146 O HIS A 728 14.211 -13.708 -20.863 1.00 0.00 O ATOM 147 CB HIS A 728 13.886 -12.923 -24.104 1.00 0.00 C ATOM 148 CG HIS A 728 14.699 -14.173 -24.246 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.285 -15.277 -24.957 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.929 -14.481 -23.760 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.251 -16.200 -24.884 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.271 -15.766 -24.169 1.00 0.00 N ATOM 0 H HIS A 728 12.201 -11.179 -23.723 1.00 0.00 H new ATOM 0 HA HIS A 728 12.489 -13.758 -22.691 1.00 0.00 H new ATOM 0 HB2 HIS A 728 13.203 -12.849 -24.950 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.552 -12.062 -24.155 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.543 -13.832 -23.153 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.202 -17.173 -25.350 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.133 -16.269 -23.959 1.00 0.00 H new ATOM 160 N PHE A 729 14.563 -11.558 -21.398 1.00 0.00 N ATOM 161 CA PHE A 729 15.559 -11.360 -20.362 1.00 0.00 C ATOM 162 C PHE A 729 14.896 -11.157 -19.010 1.00 0.00 C ATOM 163 O PHE A 729 15.387 -11.651 -17.998 1.00 0.00 O ATOM 164 CB PHE A 729 16.470 -10.187 -20.716 1.00 0.00 C ATOM 165 CG PHE A 729 17.279 -10.450 -21.952 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.238 -11.450 -21.957 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.072 -9.720 -23.112 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.978 -11.715 -23.091 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.814 -9.981 -24.248 1.00 0.00 C ATOM 170 CZ PHE A 729 18.767 -10.981 -24.238 1.00 0.00 C ATOM 0 H PHE A 729 14.335 -10.720 -21.933 1.00 0.00 H new ATOM 0 HA PHE A 729 16.175 -12.257 -20.296 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.866 -9.292 -20.863 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.141 -9.985 -19.881 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.408 -12.030 -21.062 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.324 -8.941 -23.128 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.722 -12.497 -23.080 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.649 -9.402 -25.145 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.345 -11.187 -25.127 1.00 0.00 H new ATOM 180 N ARG A 730 13.770 -10.454 -18.998 1.00 0.00 N ATOM 181 CA ARG A 730 12.993 -10.270 -17.774 1.00 0.00 C ATOM 182 C ARG A 730 12.640 -11.624 -17.174 1.00 0.00 C ATOM 183 O ARG A 730 12.769 -11.836 -15.966 1.00 0.00 O ATOM 184 CB ARG A 730 11.710 -9.497 -18.075 1.00 0.00 C ATOM 185 CG ARG A 730 10.911 -9.100 -16.840 1.00 0.00 C ATOM 186 CD ARG A 730 11.600 -8.002 -16.045 1.00 0.00 C ATOM 187 NE ARG A 730 10.809 -7.596 -14.880 1.00 0.00 N ATOM 188 CZ ARG A 730 10.955 -6.431 -14.240 1.00 0.00 C ATOM 189 NH1 ARG A 730 11.828 -5.529 -14.667 1.00 0.00 N ATOM 190 NH2 ARG A 730 10.209 -6.158 -13.179 1.00 0.00 N ATOM 0 H ARG A 730 13.373 -10.001 -19.821 1.00 0.00 H new ATOM 0 HA ARG A 730 13.593 -9.704 -17.062 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.965 -8.596 -18.633 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.078 -10.104 -18.722 1.00 0.00 H new ATOM 0 HG2 ARG A 730 9.920 -8.761 -17.143 1.00 0.00 H new ATOM 0 HG3 ARG A 730 10.769 -9.974 -16.204 1.00 0.00 H new ATOM 0 HD2 ARG A 730 12.579 -8.351 -15.716 1.00 0.00 H new ATOM 0 HD3 ARG A 730 11.769 -7.139 -16.689 1.00 0.00 H new ATOM 0 HE ARG A 730 10.101 -8.244 -14.535 1.00 0.00 H new ATOM 0 HH11 ARG A 730 12.397 -5.720 -15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 730 11.931 -4.644 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.523 -6.837 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.321 -5.269 -12.692 1.00 0.00 H new ATOM 204 N ALA A 731 12.207 -12.537 -18.037 1.00 0.00 N ATOM 205 CA ALA A 731 11.837 -13.877 -17.619 1.00 0.00 C ATOM 206 C ALA A 731 13.039 -14.619 -17.049 1.00 0.00 C ATOM 207 O ALA A 731 12.986 -15.135 -15.935 1.00 0.00 O ATOM 208 CB ALA A 731 11.236 -14.650 -18.785 1.00 0.00 C ATOM 0 H ALA A 731 12.104 -12.367 -19.038 1.00 0.00 H new ATOM 0 HA ALA A 731 11.086 -13.794 -16.833 1.00 0.00 H new ATOM 0 HB1 ALA A 731 10.964 -15.653 -18.455 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.347 -14.133 -19.145 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.967 -14.719 -19.591 1.00 0.00 H new ATOM 214 N MET A 732 14.136 -14.648 -17.802 1.00 0.00 N ATOM 215 CA MET A 732 15.319 -15.380 -17.368 1.00 0.00 C ATOM 216 C MET A 732 15.908 -14.795 -16.088 1.00 0.00 C ATOM 217 O MET A 732 16.428 -15.531 -15.253 1.00 0.00 O ATOM 218 CB MET A 732 16.376 -15.434 -18.473 1.00 0.00 C ATOM 219 CG MET A 732 15.962 -16.296 -19.654 1.00 0.00 C ATOM 220 SD MET A 732 17.368 -17.007 -20.531 1.00 0.00 S ATOM 221 CE MET A 732 18.299 -15.529 -20.917 1.00 0.00 C ATOM 0 H MET A 732 14.229 -14.179 -18.703 1.00 0.00 H new ATOM 0 HA MET A 732 15.001 -16.400 -17.151 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.579 -14.422 -18.823 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.307 -15.820 -18.058 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.316 -17.100 -19.302 1.00 0.00 H new ATOM 0 HG3 MET A 732 15.374 -15.695 -20.348 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.146 -15.788 -21.553 1.00 0.00 H new ATOM 0 HE2 MET A 732 17.656 -14.820 -21.439 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.663 -15.077 -19.994 1.00 0.00 H new ATOM 231 N ILE A 733 15.808 -13.484 -15.922 1.00 0.00 N ATOM 232 CA ILE A 733 16.339 -12.821 -14.736 1.00 0.00 C ATOM 233 C ILE A 733 15.484 -13.107 -13.497 1.00 0.00 C ATOM 234 O ILE A 733 16.017 -13.387 -12.422 1.00 0.00 O ATOM 235 CB ILE A 733 16.465 -11.293 -14.951 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.543 -11.000 -16.003 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.784 -10.580 -13.641 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.664 -9.535 -16.361 1.00 0.00 C ATOM 0 H ILE A 733 15.364 -12.857 -16.593 1.00 0.00 H new ATOM 0 HA ILE A 733 17.335 -13.231 -14.566 1.00 0.00 H new ATOM 0 HB ILE A 733 15.508 -10.914 -15.311 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.505 -11.355 -15.633 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.320 -11.568 -16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.867 -9.508 -13.821 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.987 -10.766 -12.922 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.727 -10.955 -13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.446 -9.407 -17.110 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.715 -9.179 -16.762 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.918 -8.962 -15.469 1.00 0.00 H new ATOM 250 N VAL A 734 14.162 -13.057 -13.640 1.00 0.00 N ATOM 251 CA VAL A 734 13.285 -13.302 -12.496 1.00 0.00 C ATOM 252 C VAL A 734 13.379 -14.767 -12.057 1.00 0.00 C ATOM 253 O VAL A 734 13.363 -15.067 -10.860 1.00 0.00 O ATOM 254 CB VAL A 734 11.809 -12.901 -12.776 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.177 -13.781 -13.841 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.992 -12.938 -11.489 1.00 0.00 C ATOM 0 H VAL A 734 13.681 -12.854 -14.516 1.00 0.00 H new ATOM 0 HA VAL A 734 13.631 -12.664 -11.683 1.00 0.00 H new ATOM 0 HB VAL A 734 11.812 -11.880 -13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.146 -13.468 -14.007 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.739 -13.688 -14.770 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.192 -14.820 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.962 -12.655 -11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.012 -13.946 -11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.417 -12.240 -10.768 1.00 0.00 H new ATOM 266 N GLU A 735 13.520 -15.676 -13.020 1.00 0.00 N ATOM 267 CA GLU A 735 13.719 -17.087 -12.711 1.00 0.00 C ATOM 268 C GLU A 735 15.092 -17.288 -12.081 1.00 0.00 C ATOM 269 O GLU A 735 15.265 -18.113 -11.187 1.00 0.00 O ATOM 270 CB GLU A 735 13.600 -17.939 -13.975 1.00 0.00 C ATOM 271 CG GLU A 735 12.263 -17.807 -14.688 1.00 0.00 C ATOM 272 CD GLU A 735 12.204 -18.612 -15.971 1.00 0.00 C ATOM 273 OE1 GLU A 735 13.048 -18.386 -16.865 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.319 -19.486 -16.092 1.00 0.00 O ATOM 0 H GLU A 735 13.500 -15.460 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 735 12.947 -17.400 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.397 -17.660 -14.665 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.758 -18.985 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.466 -18.135 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.078 -16.757 -14.914 1.00 0.00 H new ATOM 281 N PHE A 736 16.060 -16.510 -12.556 1.00 0.00 N ATOM 282 CA PHE A 736 17.424 -16.552 -12.044 1.00 0.00 C ATOM 283 C PHE A 736 17.476 -16.172 -10.566 1.00 0.00 C ATOM 284 O PHE A 736 18.240 -16.753 -9.792 1.00 0.00 O ATOM 285 CB PHE A 736 18.310 -15.612 -12.866 1.00 0.00 C ATOM 286 CG PHE A 736 19.639 -15.307 -12.239 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.567 -16.310 -12.023 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.955 -14.011 -11.871 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.787 -16.024 -11.445 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.174 -13.719 -11.296 1.00 0.00 C ATOM 291 CZ PHE A 736 22.091 -14.726 -11.083 1.00 0.00 C ATOM 0 H PHE A 736 15.920 -15.833 -13.306 1.00 0.00 H new ATOM 0 HA PHE A 736 17.794 -17.573 -12.135 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.478 -16.056 -13.847 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.775 -14.676 -13.027 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.335 -17.325 -12.309 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.239 -13.219 -12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.503 -16.814 -11.276 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.410 -12.704 -11.013 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.047 -14.500 -10.633 1.00 0.00 H new ATOM 301 N MET A 737 16.664 -15.200 -10.171 1.00 0.00 N ATOM 302 CA MET A 737 16.629 -14.768 -8.780 1.00 0.00 C ATOM 303 C MET A 737 16.181 -15.900 -7.868 1.00 0.00 C ATOM 304 O MET A 737 16.739 -16.090 -6.788 1.00 0.00 O ATOM 305 CB MET A 737 15.727 -13.550 -8.596 1.00 0.00 C ATOM 306 CG MET A 737 16.199 -12.325 -9.359 1.00 0.00 C ATOM 307 SD MET A 737 15.472 -10.794 -8.737 1.00 0.00 S ATOM 308 CE MET A 737 13.727 -11.187 -8.794 1.00 0.00 C ATOM 0 H MET A 737 16.025 -14.699 -10.789 1.00 0.00 H new ATOM 0 HA MET A 737 17.644 -14.482 -8.504 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.718 -13.803 -8.920 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.670 -13.307 -7.535 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.285 -12.259 -9.296 1.00 0.00 H new ATOM 0 HG3 MET A 737 15.948 -12.440 -10.413 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.157 -10.282 -9.002 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.545 -11.920 -9.580 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.415 -11.599 -7.834 1.00 0.00 H new ATOM 318 N ALA A 738 15.199 -16.665 -8.321 1.00 0.00 N ATOM 319 CA ALA A 738 14.682 -17.787 -7.548 1.00 0.00 C ATOM 320 C ALA A 738 15.570 -19.017 -7.711 1.00 0.00 C ATOM 321 O ALA A 738 15.510 -19.951 -6.910 1.00 0.00 O ATOM 322 CB ALA A 738 13.260 -18.100 -7.980 1.00 0.00 C ATOM 0 H ALA A 738 14.742 -16.529 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 738 14.681 -17.510 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.880 -18.940 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.629 -17.227 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.250 -18.358 -9.039 1.00 0.00 H new ATOM 328 N SER A 739 16.390 -19.007 -8.752 1.00 0.00 N ATOM 329 CA SER A 739 17.275 -20.122 -9.049 1.00 0.00 C ATOM 330 C SER A 739 18.449 -20.162 -8.071 1.00 0.00 C ATOM 331 O SER A 739 18.774 -19.160 -7.425 1.00 0.00 O ATOM 332 CB SER A 739 17.792 -20.017 -10.490 1.00 0.00 C ATOM 333 OG SER A 739 18.587 -21.140 -10.843 1.00 0.00 O ATOM 0 H SER A 739 16.460 -18.231 -9.410 1.00 0.00 H new ATOM 0 HA SER A 739 16.708 -21.046 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 739 16.948 -19.938 -11.175 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.379 -19.105 -10.601 1.00 0.00 H new ATOM 0 HG SER A 739 18.899 -21.043 -11.767 1.00 0.00 H new ATOM 339 N LYS A 740 19.087 -21.322 -7.983 1.00 0.00 N ATOM 340 CA LYS A 740 20.214 -21.527 -7.078 1.00 0.00 C ATOM 341 C LYS A 740 21.485 -20.903 -7.645 1.00 0.00 C ATOM 342 O LYS A 740 22.494 -20.774 -6.947 1.00 0.00 O ATOM 343 CB LYS A 740 20.437 -23.025 -6.803 1.00 0.00 C ATOM 344 CG LYS A 740 21.011 -23.826 -7.975 1.00 0.00 C ATOM 345 CD LYS A 740 20.028 -23.993 -9.129 1.00 0.00 C ATOM 346 CE LYS A 740 18.761 -24.729 -8.707 1.00 0.00 C ATOM 347 NZ LYS A 740 19.042 -26.109 -8.235 1.00 0.00 N ATOM 0 H LYS A 740 18.841 -22.145 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 740 19.975 -21.036 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.110 -23.125 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 740 19.486 -23.470 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 740 21.909 -23.329 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 740 21.314 -24.811 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.762 -23.012 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.511 -24.540 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 740 18.266 -24.170 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 740 18.069 -24.769 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 18.145 -26.610 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 19.596 -26.616 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 19.582 -26.069 -7.347 1.00 0.00 H new ATOM 361 N LYS A 741 21.434 -20.524 -8.916 1.00 0.00 N ATOM 362 CA LYS A 741 22.559 -19.858 -9.553 1.00 0.00 C ATOM 363 C LYS A 741 22.760 -18.484 -8.939 1.00 0.00 C ATOM 364 O LYS A 741 21.805 -17.730 -8.759 1.00 0.00 O ATOM 365 CB LYS A 741 22.332 -19.714 -11.057 1.00 0.00 C ATOM 366 CG LYS A 741 22.179 -21.034 -11.793 1.00 0.00 C ATOM 367 CD LYS A 741 21.945 -20.812 -13.281 1.00 0.00 C ATOM 368 CE LYS A 741 23.130 -20.127 -13.948 1.00 0.00 C ATOM 369 NZ LYS A 741 24.369 -20.947 -13.866 1.00 0.00 N ATOM 0 H LYS A 741 20.627 -20.667 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 741 23.448 -20.468 -9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.438 -19.113 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.169 -19.165 -11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.074 -21.639 -11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.345 -21.594 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.760 -21.770 -13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 741 21.050 -20.206 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 741 22.894 -19.932 -14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 741 23.303 -19.161 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 25.097 -20.538 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 24.714 -20.957 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 24.162 -21.920 -14.170 1.00 0.00 H new ATOM 383 N MET A 742 23.996 -18.163 -8.613 1.00 0.00 N ATOM 384 CA MET A 742 24.314 -16.875 -8.022 1.00 0.00 C ATOM 385 C MET A 742 24.766 -15.906 -9.099 1.00 0.00 C ATOM 386 O MET A 742 24.711 -14.689 -8.916 1.00 0.00 O ATOM 387 CB MET A 742 25.399 -17.032 -6.953 1.00 0.00 C ATOM 388 CG MET A 742 25.018 -17.999 -5.848 1.00 0.00 C ATOM 389 SD MET A 742 26.273 -18.112 -4.557 1.00 0.00 S ATOM 390 CE MET A 742 25.532 -19.348 -3.496 1.00 0.00 C ATOM 0 H MET A 742 24.800 -18.777 -8.747 1.00 0.00 H new ATOM 0 HA MET A 742 23.418 -16.476 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.318 -17.376 -7.426 1.00 0.00 H new ATOM 0 HB3 MET A 742 25.612 -16.057 -6.515 1.00 0.00 H new ATOM 0 HG2 MET A 742 24.074 -17.683 -5.404 1.00 0.00 H new ATOM 0 HG3 MET A 742 24.854 -18.988 -6.277 1.00 0.00 H new ATOM 0 HE1 MET A 742 26.186 -19.535 -2.644 1.00 0.00 H new ATOM 0 HE2 MET A 742 24.566 -18.990 -3.140 1.00 0.00 H new ATOM 0 HE3 MET A 742 25.393 -20.272 -4.056 1.00 0.00 H new ATOM 400 N GLN A 743 25.196 -16.459 -10.228 1.00 0.00 N ATOM 401 CA GLN A 743 25.648 -15.660 -11.360 1.00 0.00 C ATOM 402 C GLN A 743 25.033 -16.165 -12.661 1.00 0.00 C ATOM 403 O GLN A 743 25.141 -17.346 -13.000 1.00 0.00 O ATOM 404 CB GLN A 743 27.176 -15.674 -11.460 1.00 0.00 C ATOM 405 CG GLN A 743 27.866 -14.919 -10.336 1.00 0.00 C ATOM 406 CD GLN A 743 29.379 -14.975 -10.422 1.00 0.00 C ATOM 407 OE1 GLN A 743 29.905 -15.092 -11.633 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.068 -14.914 -9.405 1.00 0.00 N flip ATOM 0 H GLN A 743 25.241 -17.466 -10.383 1.00 0.00 H new ATOM 0 HA GLN A 743 25.319 -14.634 -11.196 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.522 -16.707 -11.458 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.473 -15.240 -12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.545 -13.877 -10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.547 -15.333 -9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.623 -14.824 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.085 -14.953 -9.475 1.00 0.00 H new ATOM 417 N LEU A 744 24.367 -15.265 -13.369 1.00 0.00 N ATOM 418 CA LEU A 744 23.783 -15.572 -14.661 1.00 0.00 C ATOM 419 C LEU A 744 24.777 -15.202 -15.749 1.00 0.00 C ATOM 420 O LEU A 744 24.901 -14.033 -16.118 1.00 0.00 O ATOM 421 CB LEU A 744 22.474 -14.795 -14.858 1.00 0.00 C ATOM 422 CG LEU A 744 21.344 -15.548 -15.576 1.00 0.00 C ATOM 423 CD1 LEU A 744 20.120 -14.657 -15.712 1.00 0.00 C ATOM 424 CD2 LEU A 744 21.781 -16.051 -16.943 1.00 0.00 C ATOM 0 H LEU A 744 24.218 -14.304 -13.063 1.00 0.00 H new ATOM 0 HA LEU A 744 23.557 -16.637 -14.712 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.110 -14.482 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.694 -13.888 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 744 21.090 -16.417 -14.969 1.00 0.00 H new ATOM 0 HD11 LEU A 744 19.327 -15.203 -16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 744 19.775 -14.358 -14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 744 20.379 -13.769 -16.289 1.00 0.00 H new ATOM 0 HD21 LEU A 744 20.954 -16.578 -17.418 1.00 0.00 H new ATOM 0 HD22 LEU A 744 22.077 -15.206 -17.564 1.00 0.00 H new ATOM 0 HD23 LEU A 744 22.626 -16.730 -16.828 1.00 0.00 H new ATOM 436 N GLU A 745 25.510 -16.191 -16.219 1.00 0.00 N ATOM 437 CA GLU A 745 26.498 -15.981 -17.261 1.00 0.00 C ATOM 438 C GLU A 745 25.835 -16.029 -18.630 1.00 0.00 C ATOM 439 O GLU A 745 25.515 -17.103 -19.142 1.00 0.00 O ATOM 440 CB GLU A 745 27.596 -17.040 -17.156 1.00 0.00 C ATOM 441 CG GLU A 745 28.298 -17.039 -15.806 1.00 0.00 C ATOM 442 CD GLU A 745 29.080 -18.308 -15.553 1.00 0.00 C ATOM 443 OE1 GLU A 745 30.209 -18.432 -16.077 1.00 0.00 O ATOM 444 OE2 GLU A 745 28.569 -19.188 -14.825 1.00 0.00 O ATOM 0 H GLU A 745 25.440 -17.155 -15.894 1.00 0.00 H new ATOM 0 HA GLU A 745 26.949 -14.997 -17.133 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.162 -18.024 -17.332 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.332 -16.871 -17.942 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.973 -16.185 -15.753 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.558 -16.910 -15.016 1.00 0.00 H new ATOM 451 N PHE A 746 25.600 -14.861 -19.201 1.00 0.00 N ATOM 452 CA PHE A 746 24.986 -14.769 -20.514 1.00 0.00 C ATOM 453 C PHE A 746 26.018 -15.027 -21.608 1.00 0.00 C ATOM 454 O PHE A 746 27.216 -14.823 -21.397 1.00 0.00 O ATOM 455 CB PHE A 746 24.356 -13.390 -20.712 1.00 0.00 C ATOM 456 CG PHE A 746 23.064 -13.188 -19.975 1.00 0.00 C ATOM 457 CD1 PHE A 746 23.050 -12.740 -18.664 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.858 -13.434 -20.605 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.856 -12.540 -18.000 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.664 -13.239 -19.945 1.00 0.00 C ATOM 461 CZ PHE A 746 20.661 -12.792 -18.641 1.00 0.00 C ATOM 0 H PHE A 746 25.825 -13.962 -18.776 1.00 0.00 H new ATOM 0 HA PHE A 746 24.207 -15.528 -20.579 1.00 0.00 H new ATOM 0 HB2 PHE A 746 25.067 -12.629 -20.390 1.00 0.00 H new ATOM 0 HB3 PHE A 746 24.182 -13.233 -21.776 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.983 -12.545 -18.156 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.852 -13.783 -21.627 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.858 -12.187 -16.979 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.730 -13.437 -20.450 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.726 -12.640 -18.123 1.00 0.00 H new ATOM 471 N PRO A 747 25.573 -15.500 -22.780 1.00 0.00 N ATOM 472 CA PRO A 747 26.443 -15.688 -23.938 1.00 0.00 C ATOM 473 C PRO A 747 26.786 -14.357 -24.606 1.00 0.00 C ATOM 474 O PRO A 747 26.086 -13.360 -24.415 1.00 0.00 O ATOM 475 CB PRO A 747 25.612 -16.562 -24.894 1.00 0.00 C ATOM 476 CG PRO A 747 24.371 -16.933 -24.148 1.00 0.00 C ATOM 477 CD PRO A 747 24.194 -15.905 -23.073 1.00 0.00 C ATOM 0 HA PRO A 747 27.396 -16.139 -23.660 1.00 0.00 H new ATOM 0 HB2 PRO A 747 25.369 -16.018 -25.807 1.00 0.00 H new ATOM 0 HB3 PRO A 747 26.168 -17.451 -25.191 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.509 -16.949 -24.814 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.461 -17.931 -23.719 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.589 -15.064 -23.413 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.699 -16.319 -22.195 1.00 0.00 H new ATOM 485 N PRO A 748 27.869 -14.323 -25.401 1.00 0.00 N ATOM 486 CA PRO A 748 28.270 -13.121 -26.152 1.00 0.00 C ATOM 487 C PRO A 748 27.286 -12.770 -27.269 1.00 0.00 C ATOM 488 O PRO A 748 27.435 -11.754 -27.951 1.00 0.00 O ATOM 489 CB PRO A 748 29.621 -13.508 -26.753 1.00 0.00 C ATOM 490 CG PRO A 748 29.622 -14.998 -26.790 1.00 0.00 C ATOM 491 CD PRO A 748 28.807 -15.442 -25.611 1.00 0.00 C ATOM 0 HA PRO A 748 28.303 -12.241 -25.509 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.741 -13.090 -27.752 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.444 -13.129 -26.147 1.00 0.00 H new ATOM 0 HG2 PRO A 748 29.192 -15.365 -27.722 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.638 -15.389 -26.732 1.00 0.00 H new ATOM 0 HD2 PRO A 748 28.281 -16.374 -25.815 1.00 0.00 H new ATOM 0 HD3 PRO A 748 29.430 -15.613 -24.734 1.00 0.00 H new ATOM 499 N SER A 749 26.291 -13.628 -27.453 1.00 0.00 N ATOM 500 CA SER A 749 25.264 -13.438 -28.466 1.00 0.00 C ATOM 501 C SER A 749 24.429 -12.185 -28.192 1.00 0.00 C ATOM 502 O SER A 749 23.880 -11.582 -29.118 1.00 0.00 O ATOM 503 CB SER A 749 24.374 -14.678 -28.517 1.00 0.00 C ATOM 504 OG SER A 749 23.977 -15.071 -27.214 1.00 0.00 O ATOM 0 H SER A 749 26.174 -14.478 -26.901 1.00 0.00 H new ATOM 0 HA SER A 749 25.749 -13.296 -29.432 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.492 -14.473 -29.124 1.00 0.00 H new ATOM 0 HB3 SER A 749 24.910 -15.495 -29.000 1.00 0.00 H new ATOM 0 HG SER A 749 23.828 -16.040 -27.195 1.00 0.00 H new ATOM 510 N LEU A 750 24.335 -11.801 -26.921 1.00 0.00 N ATOM 511 CA LEU A 750 23.635 -10.579 -26.531 1.00 0.00 C ATOM 512 C LEU A 750 24.324 -9.355 -27.124 1.00 0.00 C ATOM 513 O LEU A 750 25.471 -9.062 -26.785 1.00 0.00 O ATOM 514 CB LEU A 750 23.608 -10.427 -25.009 1.00 0.00 C ATOM 515 CG LEU A 750 22.531 -11.220 -24.270 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.803 -12.717 -24.331 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.440 -10.738 -22.831 1.00 0.00 C ATOM 0 H LEU A 750 24.737 -12.321 -26.141 1.00 0.00 H new ATOM 0 HA LEU A 750 22.615 -10.653 -26.910 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.581 -10.724 -24.618 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.478 -9.371 -24.773 1.00 0.00 H new ATOM 0 HG LEU A 750 21.573 -11.049 -24.762 1.00 0.00 H new ATOM 0 HD11 LEU A 750 22.018 -13.252 -23.796 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.819 -13.042 -25.371 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.767 -12.931 -23.870 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.671 -11.305 -22.305 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.400 -10.884 -22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.183 -9.679 -22.818 1.00 0.00 H new ATOM 529 N ASN A 751 23.638 -8.646 -28.010 1.00 0.00 N ATOM 530 CA ASN A 751 24.170 -7.399 -28.539 1.00 0.00 C ATOM 531 C ASN A 751 23.689 -6.229 -27.686 1.00 0.00 C ATOM 532 O ASN A 751 23.114 -6.437 -26.618 1.00 0.00 O ATOM 533 CB ASN A 751 23.799 -7.200 -30.020 1.00 0.00 C ATOM 534 CG ASN A 751 22.314 -7.317 -30.302 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.817 -8.401 -30.605 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.602 -6.202 -30.236 1.00 0.00 N ATOM 0 H ASN A 751 22.722 -8.909 -28.374 1.00 0.00 H new ATOM 0 HA ASN A 751 25.258 -7.445 -28.493 1.00 0.00 H new ATOM 0 HB2 ASN A 751 24.144 -6.217 -30.342 1.00 0.00 H new ATOM 0 HB3 ASN A 751 24.332 -7.937 -30.620 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.603 -6.222 -30.440 1.00 0.00 H new ATOM 0 HD22 ASN A 751 22.053 -5.323 -29.981 1.00 0.00 H new ATOM 543 N SER A 752 23.926 -5.012 -28.166 1.00 0.00 N ATOM 544 CA SER A 752 23.655 -3.789 -27.410 1.00 0.00 C ATOM 545 C SER A 752 22.277 -3.793 -26.738 1.00 0.00 C ATOM 546 O SER A 752 22.182 -3.738 -25.511 1.00 0.00 O ATOM 547 CB SER A 752 23.778 -2.590 -28.346 1.00 0.00 C ATOM 548 OG SER A 752 23.060 -2.817 -29.552 1.00 0.00 O ATOM 0 H SER A 752 24.313 -4.843 -29.094 1.00 0.00 H new ATOM 0 HA SER A 752 24.390 -3.728 -26.607 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.396 -1.696 -27.852 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.828 -2.405 -28.572 1.00 0.00 H new ATOM 0 HG SER A 752 23.150 -2.037 -30.138 1.00 0.00 H new ATOM 554 N HIS A 753 21.224 -3.869 -27.548 1.00 0.00 N ATOM 555 CA HIS A 753 19.850 -3.839 -27.045 1.00 0.00 C ATOM 556 C HIS A 753 19.613 -4.933 -26.002 1.00 0.00 C ATOM 557 O HIS A 753 19.002 -4.688 -24.961 1.00 0.00 O ATOM 558 CB HIS A 753 18.859 -3.994 -28.205 1.00 0.00 C ATOM 559 CG HIS A 753 17.419 -3.974 -27.781 1.00 0.00 C ATOM 560 ND1 HIS A 753 16.594 -5.078 -27.811 1.00 0.00 N ATOM 561 CD2 HIS A 753 16.656 -2.952 -27.310 1.00 0.00 C ATOM 562 CE1 HIS A 753 15.388 -4.705 -27.370 1.00 0.00 C ATOM 563 NE2 HIS A 753 15.371 -3.423 -27.052 1.00 0.00 N ATOM 0 H HIS A 753 21.295 -3.952 -28.562 1.00 0.00 H new ATOM 0 HA HIS A 753 19.691 -2.875 -26.563 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.027 -3.192 -28.923 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.063 -4.932 -28.721 1.00 0.00 H new ATOM 0 HD1 HIS A 753 16.857 -6.015 -28.116 1.00 0.00 H new ATOM 0 HD2 HIS A 753 16.993 -1.937 -27.160 1.00 0.00 H new ATOM 0 HE1 HIS A 753 14.538 -5.366 -27.285 1.00 0.00 H new ATOM 571 N ASP A 754 20.108 -6.133 -26.286 1.00 0.00 N ATOM 572 CA ASP A 754 19.923 -7.275 -25.397 1.00 0.00 C ATOM 573 C ASP A 754 20.590 -7.031 -24.049 1.00 0.00 C ATOM 574 O ASP A 754 19.986 -7.254 -22.997 1.00 0.00 O ATOM 575 CB ASP A 754 20.488 -8.543 -26.040 1.00 0.00 C ATOM 576 CG ASP A 754 19.773 -8.897 -27.326 1.00 0.00 C ATOM 577 OD1 ASP A 754 20.115 -8.318 -28.371 1.00 0.00 O ATOM 578 OD2 ASP A 754 18.856 -9.745 -27.295 1.00 0.00 O ATOM 0 H ASP A 754 20.643 -6.341 -27.129 1.00 0.00 H new ATOM 0 HA ASP A 754 18.854 -7.406 -25.231 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.550 -8.404 -26.243 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.404 -9.373 -25.339 1.00 0.00 H new ATOM 583 N ARG A 755 21.832 -6.567 -24.089 1.00 0.00 N ATOM 584 CA ARG A 755 22.564 -6.237 -22.876 1.00 0.00 C ATOM 585 C ARG A 755 21.834 -5.138 -22.116 1.00 0.00 C ATOM 586 O ARG A 755 21.596 -5.260 -20.919 1.00 0.00 O ATOM 587 CB ARG A 755 23.990 -5.785 -23.207 1.00 0.00 C ATOM 588 CG ARG A 755 24.800 -6.814 -23.980 1.00 0.00 C ATOM 589 CD ARG A 755 26.208 -6.324 -24.261 1.00 0.00 C ATOM 590 NE ARG A 755 26.980 -7.288 -25.045 1.00 0.00 N ATOM 591 CZ ARG A 755 27.937 -6.958 -25.917 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.213 -5.681 -26.162 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.608 -7.910 -26.551 1.00 0.00 N ATOM 0 H ARG A 755 22.354 -6.411 -24.951 1.00 0.00 H new ATOM 0 HA ARG A 755 22.623 -7.130 -22.254 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.943 -4.864 -23.788 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.511 -5.550 -22.279 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.845 -7.743 -23.412 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.299 -7.039 -24.921 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.161 -5.376 -24.797 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.720 -6.132 -23.318 1.00 0.00 H new ATOM 0 HE ARG A 755 26.774 -8.279 -24.917 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.693 -4.946 -25.683 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.945 -5.436 -26.829 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.393 -8.891 -26.372 1.00 0.00 H new ATOM 0 HH22 ARG A 755 29.339 -7.661 -27.217 1.00 0.00 H new ATOM 607 N LEU A 756 21.456 -4.088 -22.838 1.00 0.00 N ATOM 608 CA LEU A 756 20.763 -2.940 -22.255 1.00 0.00 C ATOM 609 C LEU A 756 19.514 -3.381 -21.495 1.00 0.00 C ATOM 610 O LEU A 756 19.228 -2.872 -20.412 1.00 0.00 O ATOM 611 CB LEU A 756 20.393 -1.940 -23.357 1.00 0.00 C ATOM 612 CG LEU A 756 19.646 -0.688 -22.893 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.498 0.126 -21.933 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.242 0.158 -24.092 1.00 0.00 C ATOM 0 H LEU A 756 21.620 -4.007 -23.841 1.00 0.00 H new ATOM 0 HA LEU A 756 21.434 -2.457 -21.545 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.308 -1.629 -23.862 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.779 -2.454 -24.097 1.00 0.00 H new ATOM 0 HG LEU A 756 18.746 -1.002 -22.365 1.00 0.00 H new ATOM 0 HD11 LEU A 756 19.946 1.011 -21.617 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.743 -0.480 -21.060 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.418 0.431 -22.432 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.711 1.046 -23.749 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.134 0.458 -24.642 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.591 -0.424 -24.745 1.00 0.00 H new ATOM 626 N ARG A 757 18.780 -4.334 -22.066 1.00 0.00 N ATOM 627 CA ARG A 757 17.614 -4.906 -21.400 1.00 0.00 C ATOM 628 C ARG A 757 18.014 -5.529 -20.068 1.00 0.00 C ATOM 629 O ARG A 757 17.398 -5.260 -19.038 1.00 0.00 O ATOM 630 CB ARG A 757 16.952 -5.961 -22.289 1.00 0.00 C ATOM 631 CG ARG A 757 16.178 -5.376 -23.457 1.00 0.00 C ATOM 632 CD ARG A 757 14.876 -4.738 -22.999 1.00 0.00 C ATOM 633 NE ARG A 757 14.197 -4.039 -24.088 1.00 0.00 N ATOM 634 CZ ARG A 757 12.927 -4.250 -24.442 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.205 -5.191 -23.848 1.00 0.00 N ATOM 636 NH2 ARG A 757 12.383 -3.530 -25.416 1.00 0.00 N ATOM 0 H ARG A 757 18.973 -4.726 -22.988 1.00 0.00 H new ATOM 0 HA ARG A 757 16.900 -4.104 -21.215 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.719 -6.633 -22.673 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.276 -6.563 -21.682 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.791 -4.631 -23.964 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.964 -6.161 -24.183 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.218 -5.507 -22.595 1.00 0.00 H new ATOM 0 HD3 ARG A 757 15.081 -4.037 -22.190 1.00 0.00 H new ATOM 0 HE ARG A 757 14.728 -3.344 -24.612 1.00 0.00 H new ATOM 0 HH11 ARG A 757 12.619 -5.763 -23.112 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.236 -5.343 -24.127 1.00 0.00 H new ATOM 0 HH21 ARG A 757 12.935 -2.817 -25.893 1.00 0.00 H new ATOM 0 HH22 ARG A 757 11.413 -3.690 -25.688 1.00 0.00 H new ATOM 650 N VAL A 758 19.064 -6.342 -20.095 1.00 0.00 N ATOM 651 CA VAL A 758 19.547 -7.006 -18.892 1.00 0.00 C ATOM 652 C VAL A 758 20.012 -5.987 -17.851 1.00 0.00 C ATOM 653 O VAL A 758 19.621 -6.069 -16.684 1.00 0.00 O ATOM 654 CB VAL A 758 20.701 -7.980 -19.204 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.158 -8.690 -17.941 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.285 -8.991 -20.258 1.00 0.00 C ATOM 0 H VAL A 758 19.597 -6.557 -20.938 1.00 0.00 H new ATOM 0 HA VAL A 758 18.710 -7.576 -18.488 1.00 0.00 H new ATOM 0 HB VAL A 758 21.536 -7.400 -19.597 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.973 -9.373 -18.182 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.504 -7.954 -17.215 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.326 -9.253 -17.519 1.00 0.00 H new ATOM 0 HG21 VAL A 758 21.115 -9.667 -20.461 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.431 -9.564 -19.896 1.00 0.00 H new ATOM 0 HG23 VAL A 758 20.009 -8.469 -21.174 1.00 0.00 H new ATOM 666 N HIS A 759 20.829 -5.021 -18.278 1.00 0.00 N ATOM 667 CA HIS A 759 21.335 -3.986 -17.374 1.00 0.00 C ATOM 668 C HIS A 759 20.178 -3.244 -16.713 1.00 0.00 C ATOM 669 O HIS A 759 20.146 -3.099 -15.492 1.00 0.00 O ATOM 670 CB HIS A 759 22.233 -2.976 -18.110 1.00 0.00 C ATOM 671 CG HIS A 759 23.524 -3.542 -18.637 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.574 -3.842 -17.805 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.884 -3.819 -19.909 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.536 -4.295 -18.583 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.169 -4.300 -19.868 1.00 0.00 N ATOM 0 H HIS A 759 21.153 -4.934 -19.241 1.00 0.00 H new ATOM 0 HA HIS A 759 21.933 -4.487 -16.613 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.672 -2.553 -18.943 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.464 -2.155 -17.431 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.603 -3.736 -16.791 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.276 -3.687 -20.792 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.502 -4.622 -18.226 1.00 0.00 H new ATOM 683 N GLN A 760 19.219 -2.798 -17.525 1.00 0.00 N ATOM 684 CA GLN A 760 18.052 -2.079 -17.021 1.00 0.00 C ATOM 685 C GLN A 760 17.302 -2.892 -15.971 1.00 0.00 C ATOM 686 O GLN A 760 17.010 -2.396 -14.880 1.00 0.00 O ATOM 687 CB GLN A 760 17.100 -1.734 -18.166 1.00 0.00 C ATOM 688 CG GLN A 760 17.531 -0.538 -18.999 1.00 0.00 C ATOM 689 CD GLN A 760 16.576 -0.259 -20.145 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.386 -0.569 -20.069 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.085 0.342 -21.206 1.00 0.00 N ATOM 0 H GLN A 760 19.229 -2.923 -18.537 1.00 0.00 H new ATOM 0 HA GLN A 760 18.414 -1.162 -16.556 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.006 -2.602 -18.819 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.111 -1.537 -17.753 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.595 0.343 -18.360 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.530 -0.716 -19.397 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.076 0.582 -21.230 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.487 0.566 -22.001 1.00 0.00 H new ATOM 700 N ILE A 761 17.004 -4.142 -16.304 1.00 0.00 N ATOM 701 CA ILE A 761 16.222 -5.008 -15.430 1.00 0.00 C ATOM 702 C ILE A 761 16.985 -5.352 -14.153 1.00 0.00 C ATOM 703 O ILE A 761 16.438 -5.259 -13.056 1.00 0.00 O ATOM 704 CB ILE A 761 15.804 -6.301 -16.163 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.911 -5.947 -17.354 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.079 -7.248 -15.212 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.642 -7.113 -18.280 1.00 0.00 C ATOM 0 H ILE A 761 17.294 -4.581 -17.178 1.00 0.00 H new ATOM 0 HA ILE A 761 15.323 -4.458 -15.151 1.00 0.00 H new ATOM 0 HB ILE A 761 16.698 -6.809 -16.526 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.961 -5.562 -16.983 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.380 -5.144 -17.922 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.793 -8.153 -15.748 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.739 -7.509 -14.385 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.186 -6.759 -14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.003 -6.786 -19.100 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.585 -7.484 -18.681 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.144 -7.910 -17.727 1.00 0.00 H new ATOM 719 N ALA A 762 18.249 -5.724 -14.292 1.00 0.00 N ATOM 720 CA ALA A 762 19.068 -6.082 -13.139 1.00 0.00 C ATOM 721 C ALA A 762 19.224 -4.886 -12.205 1.00 0.00 C ATOM 722 O ALA A 762 19.170 -5.028 -10.984 1.00 0.00 O ATOM 723 CB ALA A 762 20.428 -6.588 -13.588 1.00 0.00 C ATOM 0 H ALA A 762 18.731 -5.786 -15.189 1.00 0.00 H new ATOM 0 HA ALA A 762 18.567 -6.882 -12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 762 21.025 -6.850 -12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.299 -7.469 -14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.937 -5.809 -14.155 1.00 0.00 H new ATOM 729 N GLU A 763 19.392 -3.711 -12.798 1.00 0.00 N ATOM 730 CA GLU A 763 19.511 -2.469 -12.047 1.00 0.00 C ATOM 731 C GLU A 763 18.203 -2.152 -11.322 1.00 0.00 C ATOM 732 O GLU A 763 18.206 -1.603 -10.220 1.00 0.00 O ATOM 733 CB GLU A 763 19.885 -1.333 -13.006 1.00 0.00 C ATOM 734 CG GLU A 763 20.164 0.001 -12.336 1.00 0.00 C ATOM 735 CD GLU A 763 20.654 1.038 -13.323 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.822 1.606 -14.062 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.876 1.286 -13.372 1.00 0.00 O ATOM 0 H GLU A 763 19.449 -3.593 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 763 20.293 -2.577 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.767 -1.631 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 763 19.075 -1.201 -13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.256 0.361 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.910 -0.135 -11.553 1.00 0.00 H new ATOM 744 N GLU A 764 17.088 -2.516 -11.946 1.00 0.00 N ATOM 745 CA GLU A 764 15.768 -2.302 -11.362 1.00 0.00 C ATOM 746 C GLU A 764 15.518 -3.293 -10.226 1.00 0.00 C ATOM 747 O GLU A 764 14.879 -2.966 -9.229 1.00 0.00 O ATOM 748 CB GLU A 764 14.690 -2.451 -12.439 1.00 0.00 C ATOM 749 CG GLU A 764 13.286 -2.119 -11.961 1.00 0.00 C ATOM 750 CD GLU A 764 12.239 -2.383 -13.019 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.058 -1.531 -13.913 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.591 -3.450 -12.968 1.00 0.00 O ATOM 0 H GLU A 764 17.072 -2.964 -12.862 1.00 0.00 H new ATOM 0 HA GLU A 764 15.726 -1.292 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.939 -1.803 -13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.703 -3.475 -12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 764 13.058 -2.709 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 764 13.244 -1.071 -11.666 1.00 0.00 H new ATOM 759 N HIS A 765 16.032 -4.505 -10.385 1.00 0.00 N ATOM 760 CA HIS A 765 15.880 -5.545 -9.373 1.00 0.00 C ATOM 761 C HIS A 765 16.864 -5.350 -8.222 1.00 0.00 C ATOM 762 O HIS A 765 16.752 -5.998 -7.180 1.00 0.00 O ATOM 763 CB HIS A 765 16.076 -6.932 -9.994 1.00 0.00 C ATOM 764 CG HIS A 765 14.916 -7.408 -10.818 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.489 -8.716 -10.851 1.00 0.00 N ATOM 766 CD2 HIS A 765 14.097 -6.729 -11.661 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.452 -8.792 -11.693 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.172 -7.614 -12.211 1.00 0.00 N ATOM 0 H HIS A 765 16.560 -4.794 -11.208 1.00 0.00 H new ATOM 0 HA HIS A 765 14.868 -5.470 -8.975 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.968 -6.914 -10.620 1.00 0.00 H new ATOM 0 HB3 HIS A 765 16.260 -7.652 -9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.892 -9.492 -10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.153 -5.671 -11.872 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.914 -9.701 -11.919 1.00 0.00 H new ATOM 776 N GLY A 766 17.829 -4.463 -8.419 1.00 0.00 N ATOM 777 CA GLY A 766 18.811 -4.189 -7.386 1.00 0.00 C ATOM 778 C GLY A 766 19.930 -5.210 -7.365 1.00 0.00 C ATOM 779 O GLY A 766 20.620 -5.373 -6.356 1.00 0.00 O ATOM 0 H GLY A 766 17.951 -3.926 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.232 -3.196 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.317 -4.175 -6.414 1.00 0.00 H new ATOM 783 N LEU A 767 20.119 -5.891 -8.483 1.00 0.00 N ATOM 784 CA LEU A 767 21.148 -6.912 -8.589 1.00 0.00 C ATOM 785 C LEU A 767 22.415 -6.316 -9.189 1.00 0.00 C ATOM 786 O LEU A 767 22.420 -5.161 -9.623 1.00 0.00 O ATOM 787 CB LEU A 767 20.656 -8.081 -9.448 1.00 0.00 C ATOM 788 CG LEU A 767 19.354 -8.738 -8.978 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.907 -9.806 -9.963 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.528 -9.341 -7.591 1.00 0.00 C ATOM 0 H LEU A 767 19.571 -5.755 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 767 21.372 -7.287 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.516 -7.726 -10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.437 -8.841 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 767 18.584 -7.968 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.981 -10.261 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.741 -9.353 -10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.679 -10.571 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.593 -9.803 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.314 -10.096 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.802 -8.557 -6.885 1.00 0.00 H new ATOM 802 N ARG A 768 23.483 -7.097 -9.205 1.00 0.00 N ATOM 803 CA ARG A 768 24.743 -6.651 -9.771 1.00 0.00 C ATOM 804 C ARG A 768 24.873 -7.131 -11.208 1.00 0.00 C ATOM 805 O ARG A 768 24.628 -8.296 -11.508 1.00 0.00 O ATOM 806 CB ARG A 768 25.914 -7.180 -8.942 1.00 0.00 C ATOM 807 CG ARG A 768 27.278 -6.837 -9.520 1.00 0.00 C ATOM 808 CD ARG A 768 28.394 -7.478 -8.715 1.00 0.00 C ATOM 809 NE ARG A 768 29.716 -7.168 -9.256 1.00 0.00 N ATOM 810 CZ ARG A 768 30.838 -7.229 -8.543 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.788 -7.517 -7.246 1.00 0.00 N ATOM 812 NH2 ARG A 768 32.007 -6.983 -9.120 1.00 0.00 N ATOM 0 H ARG A 768 23.501 -8.046 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 768 24.762 -5.561 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.845 -6.775 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.827 -8.263 -8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.332 -7.175 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.409 -5.755 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.337 -7.135 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.254 -8.559 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 768 29.782 -6.889 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.889 -7.691 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.649 -7.564 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 768 32.047 -6.747 -10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.866 -7.030 -8.572 1.00 0.00 H new ATOM 826 N HIS A 769 25.256 -6.233 -12.091 1.00 0.00 N ATOM 827 CA HIS A 769 25.443 -6.577 -13.488 1.00 0.00 C ATOM 828 C HIS A 769 26.753 -6.011 -14.005 1.00 0.00 C ATOM 829 O HIS A 769 27.021 -4.816 -13.893 1.00 0.00 O ATOM 830 CB HIS A 769 24.258 -6.094 -14.336 1.00 0.00 C ATOM 831 CG HIS A 769 23.791 -4.706 -14.019 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.989 -3.668 -14.885 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.129 -4.251 -12.928 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.444 -2.611 -14.315 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.911 -2.914 -13.124 1.00 0.00 N ATOM 0 H HIS A 769 25.445 -5.256 -11.867 1.00 0.00 H new ATOM 0 HA HIS A 769 25.487 -7.663 -13.570 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.539 -6.138 -15.388 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.425 -6.784 -14.200 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.830 -4.832 -12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.429 -1.624 -14.754 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.436 -2.274 -12.488 1.00 0.00 H new ATOM 843 N ASP A 770 27.575 -6.889 -14.542 1.00 0.00 N ATOM 844 CA ASP A 770 28.887 -6.518 -15.045 1.00 0.00 C ATOM 845 C ASP A 770 29.216 -7.358 -16.262 1.00 0.00 C ATOM 846 O ASP A 770 28.823 -8.519 -16.340 1.00 0.00 O ATOM 847 CB ASP A 770 29.946 -6.716 -13.955 1.00 0.00 C ATOM 848 CG ASP A 770 31.352 -6.418 -14.436 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.676 -5.227 -14.638 1.00 0.00 O ATOM 850 OD2 ASP A 770 32.144 -7.368 -14.591 1.00 0.00 O ATOM 0 H ASP A 770 27.355 -7.880 -14.643 1.00 0.00 H new ATOM 0 HA ASP A 770 28.881 -5.466 -15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.713 -6.071 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.901 -7.744 -13.595 1.00 0.00 H new ATOM 855 N SER A 771 29.913 -6.779 -17.217 1.00 0.00 N ATOM 856 CA SER A 771 30.217 -7.482 -18.443 1.00 0.00 C ATOM 857 C SER A 771 31.715 -7.695 -18.592 1.00 0.00 C ATOM 858 O SER A 771 32.513 -6.838 -18.218 1.00 0.00 O ATOM 859 CB SER A 771 29.686 -6.703 -19.638 1.00 0.00 C ATOM 860 OG SER A 771 28.328 -6.346 -19.458 1.00 0.00 O ATOM 0 H SER A 771 30.278 -5.828 -17.168 1.00 0.00 H new ATOM 0 HA SER A 771 29.732 -8.458 -18.403 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.284 -5.804 -19.783 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.789 -7.304 -20.541 1.00 0.00 H new ATOM 0 HG SER A 771 28.015 -5.845 -20.240 1.00 0.00 H new ATOM 866 N SER A 772 32.077 -8.835 -19.149 1.00 0.00 N ATOM 867 CA SER A 772 33.466 -9.173 -19.376 1.00 0.00 C ATOM 868 C SER A 772 33.701 -9.380 -20.865 1.00 0.00 C ATOM 869 O SER A 772 32.802 -9.815 -21.586 1.00 0.00 O ATOM 870 CB SER A 772 33.832 -10.432 -18.590 1.00 0.00 C ATOM 871 OG SER A 772 35.214 -10.729 -18.690 1.00 0.00 O ATOM 0 H SER A 772 31.417 -9.550 -19.456 1.00 0.00 H new ATOM 0 HA SER A 772 34.101 -8.358 -19.031 1.00 0.00 H new ATOM 0 HB2 SER A 772 33.564 -10.298 -17.542 1.00 0.00 H new ATOM 0 HB3 SER A 772 33.251 -11.275 -18.962 1.00 0.00 H new ATOM 0 HG SER A 772 35.413 -11.538 -18.174 1.00 0.00 H new ATOM 877 N GLY A 773 34.895 -9.055 -21.325 1.00 0.00 N ATOM 878 CA GLY A 773 35.201 -9.176 -22.734 1.00 0.00 C ATOM 879 C GLY A 773 35.195 -7.834 -23.435 1.00 0.00 C ATOM 880 O GLY A 773 34.959 -6.802 -22.804 1.00 0.00 O ATOM 0 H GLY A 773 35.661 -8.708 -20.748 1.00 0.00 H new ATOM 0 HA2 GLY A 773 36.179 -9.643 -22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 773 34.473 -9.835 -23.207 1.00 0.00 H new ATOM 884 N GLU A 774 35.441 -7.844 -24.738 1.00 0.00 N ATOM 885 CA GLU A 774 35.562 -6.607 -25.501 1.00 0.00 C ATOM 886 C GLU A 774 34.297 -6.279 -26.288 1.00 0.00 C ATOM 887 O GLU A 774 33.449 -5.514 -25.826 1.00 0.00 O ATOM 888 CB GLU A 774 36.759 -6.692 -26.446 1.00 0.00 C ATOM 889 CG GLU A 774 38.095 -6.634 -25.728 1.00 0.00 C ATOM 890 CD GLU A 774 38.332 -5.293 -25.072 1.00 0.00 C ATOM 891 OE1 GLU A 774 38.803 -4.370 -25.766 1.00 0.00 O ATOM 892 OE2 GLU A 774 38.042 -5.147 -23.867 1.00 0.00 O ATOM 0 H GLU A 774 35.561 -8.694 -25.289 1.00 0.00 H new ATOM 0 HA GLU A 774 35.713 -5.800 -24.784 1.00 0.00 H new ATOM 0 HB2 GLU A 774 36.700 -7.620 -27.014 1.00 0.00 H new ATOM 0 HB3 GLU A 774 36.705 -5.874 -27.165 1.00 0.00 H new ATOM 0 HG2 GLU A 774 38.134 -7.418 -24.972 1.00 0.00 H new ATOM 0 HG3 GLU A 774 38.897 -6.836 -26.438 1.00 0.00 H new ATOM 899 N GLY A 775 34.168 -6.855 -27.474 1.00 0.00 N ATOM 900 CA GLY A 775 33.062 -6.504 -28.339 1.00 0.00 C ATOM 901 C GLY A 775 32.136 -7.667 -28.616 1.00 0.00 C ATOM 902 O GLY A 775 31.145 -7.860 -27.912 1.00 0.00 O ATOM 0 H GLY A 775 34.806 -7.556 -27.851 1.00 0.00 H new ATOM 0 HA2 GLY A 775 32.493 -5.695 -27.882 1.00 0.00 H new ATOM 0 HA3 GLY A 775 33.453 -6.125 -29.283 1.00 0.00 H new ATOM 906 N LYS A 776 32.468 -8.449 -29.633 1.00 0.00 N ATOM 907 CA LYS A 776 31.621 -9.558 -30.058 1.00 0.00 C ATOM 908 C LYS A 776 31.747 -10.749 -29.114 1.00 0.00 C ATOM 909 O LYS A 776 30.935 -11.667 -29.154 1.00 0.00 O ATOM 910 CB LYS A 776 31.965 -9.977 -31.492 1.00 0.00 C ATOM 911 CG LYS A 776 33.391 -10.481 -31.670 1.00 0.00 C ATOM 912 CD LYS A 776 33.710 -10.752 -33.132 1.00 0.00 C ATOM 913 CE LYS A 776 32.834 -11.858 -33.708 1.00 0.00 C ATOM 914 NZ LYS A 776 33.070 -12.048 -35.161 1.00 0.00 N ATOM 0 H LYS A 776 33.320 -8.337 -30.182 1.00 0.00 H new ATOM 0 HA LYS A 776 30.587 -9.215 -30.029 1.00 0.00 H new ATOM 0 HB2 LYS A 776 31.273 -10.759 -31.806 1.00 0.00 H new ATOM 0 HB3 LYS A 776 31.807 -9.126 -32.155 1.00 0.00 H new ATOM 0 HG2 LYS A 776 34.090 -9.744 -31.275 1.00 0.00 H new ATOM 0 HG3 LYS A 776 33.530 -11.394 -31.091 1.00 0.00 H new ATOM 0 HD2 LYS A 776 33.569 -9.839 -33.710 1.00 0.00 H new ATOM 0 HD3 LYS A 776 34.759 -11.032 -33.229 1.00 0.00 H new ATOM 0 HE2 LYS A 776 33.035 -12.791 -33.182 1.00 0.00 H new ATOM 0 HE3 LYS A 776 31.785 -11.616 -33.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 776 32.456 -12.809 -35.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 776 32.854 -11.165 -35.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 776 34.065 -12.304 -35.320 1.00 0.00 H new ATOM 928 N ARG A 777 32.776 -10.736 -28.275 1.00 0.00 N ATOM 929 CA ARG A 777 32.937 -11.772 -27.264 1.00 0.00 C ATOM 930 C ARG A 777 32.621 -11.232 -25.876 1.00 0.00 C ATOM 931 O ARG A 777 32.825 -11.914 -24.873 1.00 0.00 O ATOM 932 CB ARG A 777 34.350 -12.358 -27.283 1.00 0.00 C ATOM 933 CG ARG A 777 34.603 -13.307 -28.445 1.00 0.00 C ATOM 934 CD ARG A 777 35.917 -14.050 -28.272 1.00 0.00 C ATOM 935 NE ARG A 777 36.116 -15.067 -29.305 1.00 0.00 N ATOM 936 CZ ARG A 777 36.486 -16.324 -29.052 1.00 0.00 C ATOM 937 NH1 ARG A 777 36.699 -16.725 -27.801 1.00 0.00 N ATOM 938 NH2 ARG A 777 36.642 -17.186 -30.050 1.00 0.00 N ATOM 0 H ARG A 777 33.507 -10.024 -28.275 1.00 0.00 H new ATOM 0 HA ARG A 777 32.231 -12.568 -27.503 1.00 0.00 H new ATOM 0 HB2 ARG A 777 35.072 -11.542 -27.328 1.00 0.00 H new ATOM 0 HB3 ARG A 777 34.526 -12.888 -26.347 1.00 0.00 H new ATOM 0 HG2 ARG A 777 33.784 -14.023 -28.518 1.00 0.00 H new ATOM 0 HG3 ARG A 777 34.620 -12.746 -29.379 1.00 0.00 H new ATOM 0 HD2 ARG A 777 36.742 -13.338 -28.302 1.00 0.00 H new ATOM 0 HD3 ARG A 777 35.939 -14.523 -27.290 1.00 0.00 H new ATOM 0 HE ARG A 777 35.963 -14.799 -30.277 1.00 0.00 H new ATOM 0 HH11 ARG A 777 36.580 -16.070 -27.028 1.00 0.00 H new ATOM 0 HH12 ARG A 777 36.982 -17.687 -27.615 1.00 0.00 H new ATOM 0 HH21 ARG A 777 36.479 -16.888 -31.012 1.00 0.00 H new ATOM 0 HH22 ARG A 777 36.925 -18.146 -29.855 1.00 0.00 H new ATOM 952 N ARG A 778 32.120 -10.006 -25.818 1.00 0.00 N ATOM 953 CA ARG A 778 31.732 -9.419 -24.549 1.00 0.00 C ATOM 954 C ARG A 778 30.429 -10.035 -24.062 1.00 0.00 C ATOM 955 O ARG A 778 29.395 -9.943 -24.727 1.00 0.00 O ATOM 956 CB ARG A 778 31.585 -7.904 -24.661 1.00 0.00 C ATOM 957 CG ARG A 778 31.233 -7.235 -23.343 1.00 0.00 C ATOM 958 CD ARG A 778 31.153 -5.729 -23.491 1.00 0.00 C ATOM 959 NE ARG A 778 30.819 -5.069 -22.231 1.00 0.00 N ATOM 960 CZ ARG A 778 31.232 -3.845 -21.898 1.00 0.00 C ATOM 961 NH1 ARG A 778 31.989 -3.150 -22.736 1.00 0.00 N ATOM 962 NH2 ARG A 778 30.889 -3.316 -20.727 1.00 0.00 N ATOM 0 H ARG A 778 31.975 -9.405 -26.629 1.00 0.00 H new ATOM 0 HA ARG A 778 32.521 -9.630 -23.827 1.00 0.00 H new ATOM 0 HB2 ARG A 778 32.517 -7.482 -25.037 1.00 0.00 H new ATOM 0 HB3 ARG A 778 30.812 -7.674 -25.395 1.00 0.00 H new ATOM 0 HG2 ARG A 778 30.278 -7.618 -22.983 1.00 0.00 H new ATOM 0 HG3 ARG A 778 31.982 -7.489 -22.593 1.00 0.00 H new ATOM 0 HD2 ARG A 778 32.108 -5.350 -23.856 1.00 0.00 H new ATOM 0 HD3 ARG A 778 30.403 -5.478 -24.241 1.00 0.00 H new ATOM 0 HE ARG A 778 30.235 -5.575 -21.566 1.00 0.00 H new ATOM 0 HH11 ARG A 778 32.255 -3.551 -23.635 1.00 0.00 H new ATOM 0 HH12 ARG A 778 32.305 -2.214 -22.482 1.00 0.00 H new ATOM 0 HH21 ARG A 778 30.307 -3.847 -20.078 1.00 0.00 H new ATOM 0 HH22 ARG A 778 31.208 -2.380 -20.477 1.00 0.00 H new ATOM 976 N PHE A 779 30.492 -10.662 -22.906 1.00 0.00 N ATOM 977 CA PHE A 779 29.331 -11.299 -22.316 1.00 0.00 C ATOM 978 C PHE A 779 28.996 -10.635 -20.991 1.00 0.00 C ATOM 979 O PHE A 779 29.880 -10.143 -20.287 1.00 0.00 O ATOM 980 CB PHE A 779 29.569 -12.803 -22.132 1.00 0.00 C ATOM 981 CG PHE A 779 30.696 -13.151 -21.196 1.00 0.00 C ATOM 982 CD1 PHE A 779 32.007 -13.183 -21.646 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.440 -13.457 -19.867 1.00 0.00 C ATOM 984 CE1 PHE A 779 33.040 -13.514 -20.790 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.470 -13.787 -19.006 1.00 0.00 C ATOM 986 CZ PHE A 779 32.772 -13.815 -19.469 1.00 0.00 C ATOM 0 H PHE A 779 31.344 -10.745 -22.351 1.00 0.00 H new ATOM 0 HA PHE A 779 28.483 -11.179 -22.990 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.652 -13.260 -21.760 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.774 -13.247 -23.106 1.00 0.00 H new ATOM 0 HD1 PHE A 779 32.223 -12.947 -22.677 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.424 -13.437 -19.501 1.00 0.00 H new ATOM 0 HE1 PHE A 779 34.057 -13.537 -21.154 1.00 0.00 H new ATOM 0 HE2 PHE A 779 31.258 -14.022 -17.974 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.579 -14.072 -18.799 1.00 0.00 H new ATOM 996 N ILE A 780 27.719 -10.611 -20.659 1.00 0.00 N ATOM 997 CA ILE A 780 27.270 -9.958 -19.445 1.00 0.00 C ATOM 998 C ILE A 780 26.966 -10.990 -18.361 1.00 0.00 C ATOM 999 O ILE A 780 26.392 -12.045 -18.632 1.00 0.00 O ATOM 1000 CB ILE A 780 26.038 -9.063 -19.717 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.521 -8.431 -18.422 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.935 -9.850 -20.409 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.331 -7.524 -18.630 1.00 0.00 C ATOM 0 H ILE A 780 26.975 -11.036 -21.213 1.00 0.00 H new ATOM 0 HA ILE A 780 28.075 -9.315 -19.089 1.00 0.00 H new ATOM 0 HB ILE A 780 26.351 -8.260 -20.384 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.248 -9.222 -17.724 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.326 -7.861 -17.958 1.00 0.00 H new ATOM 0 HG21 ILE A 780 24.080 -9.198 -20.589 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.304 -10.235 -21.360 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.629 -10.682 -19.775 1.00 0.00 H new ATOM 0 HD11 ILE A 780 24.017 -7.111 -17.672 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.606 -6.712 -19.303 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.511 -8.094 -19.066 1.00 0.00 H new ATOM 1015 N THR A 781 27.399 -10.699 -17.147 1.00 0.00 N ATOM 1016 CA THR A 781 27.202 -11.594 -16.024 1.00 0.00 C ATOM 1017 C THR A 781 26.405 -10.904 -14.922 1.00 0.00 C ATOM 1018 O THR A 781 26.848 -9.907 -14.347 1.00 0.00 O ATOM 1019 CB THR A 781 28.554 -12.067 -15.458 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.391 -12.533 -16.527 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.361 -13.182 -14.438 1.00 0.00 C ATOM 0 H THR A 781 27.895 -9.839 -16.914 1.00 0.00 H new ATOM 0 HA THR A 781 26.645 -12.460 -16.382 1.00 0.00 H new ATOM 0 HB THR A 781 29.029 -11.222 -14.959 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.250 -12.832 -16.163 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.332 -13.497 -14.055 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.746 -12.819 -13.614 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.867 -14.029 -14.914 1.00 0.00 H new ATOM 1029 N VAL A 782 25.220 -11.423 -14.650 1.00 0.00 N ATOM 1030 CA VAL A 782 24.384 -10.888 -13.590 1.00 0.00 C ATOM 1031 C VAL A 782 24.654 -11.634 -12.294 1.00 0.00 C ATOM 1032 O VAL A 782 24.427 -12.835 -12.201 1.00 0.00 O ATOM 1033 CB VAL A 782 22.884 -10.990 -13.936 1.00 0.00 C ATOM 1034 CG1 VAL A 782 22.030 -10.354 -12.847 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.607 -10.343 -15.278 1.00 0.00 C ATOM 0 H VAL A 782 24.815 -12.215 -15.149 1.00 0.00 H new ATOM 0 HA VAL A 782 24.633 -9.833 -13.474 1.00 0.00 H new ATOM 0 HB VAL A 782 22.619 -12.045 -13.998 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.977 -10.439 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.206 -10.866 -11.901 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.295 -9.302 -12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.545 -10.423 -15.508 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.892 -9.292 -15.241 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.185 -10.848 -16.052 1.00 0.00 H new ATOM 1045 N SER A 783 25.146 -10.924 -11.303 1.00 0.00 N ATOM 1046 CA SER A 783 25.481 -11.531 -10.036 1.00 0.00 C ATOM 1047 C SER A 783 24.534 -11.050 -8.951 1.00 0.00 C ATOM 1048 O SER A 783 24.321 -9.850 -8.779 1.00 0.00 O ATOM 1049 CB SER A 783 26.933 -11.210 -9.661 1.00 0.00 C ATOM 1050 OG SER A 783 27.312 -11.854 -8.456 1.00 0.00 O ATOM 0 H SER A 783 25.323 -9.921 -11.352 1.00 0.00 H new ATOM 0 HA SER A 783 25.377 -12.612 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.596 -11.524 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 783 27.052 -10.132 -9.552 1.00 0.00 H new ATOM 0 HG SER A 783 27.374 -11.192 -7.736 1.00 0.00 H new ATOM 1056 N LYS A 784 23.945 -11.995 -8.241 1.00 0.00 N ATOM 1057 CA LYS A 784 23.110 -11.673 -7.099 1.00 0.00 C ATOM 1058 C LYS A 784 23.990 -11.474 -5.876 1.00 0.00 C ATOM 1059 O LYS A 784 23.630 -10.771 -4.933 1.00 0.00 O ATOM 1060 CB LYS A 784 22.096 -12.789 -6.854 1.00 0.00 C ATOM 1061 CG LYS A 784 21.127 -12.975 -8.007 1.00 0.00 C ATOM 1062 CD LYS A 784 20.040 -13.996 -7.703 1.00 0.00 C ATOM 1063 CE LYS A 784 20.610 -15.363 -7.363 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.547 -16.404 -7.270 1.00 0.00 N ATOM 0 H LYS A 784 24.030 -12.993 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 784 22.560 -10.753 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.628 -13.724 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.534 -12.569 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.664 -12.017 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.679 -13.291 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.434 -13.640 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 784 19.378 -14.085 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 784 21.335 -15.653 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 784 21.146 -15.307 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 19.933 -17.254 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 18.751 -16.039 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.214 -16.647 -8.225 1.00 0.00 H new ATOM 1078 N ARG A 785 25.159 -12.092 -5.922 1.00 0.00 N ATOM 1079 CA ARG A 785 26.126 -11.998 -4.841 1.00 0.00 C ATOM 1080 C ARG A 785 27.075 -10.830 -5.065 1.00 0.00 C ATOM 1081 O ARG A 785 27.190 -10.321 -6.183 1.00 0.00 O ATOM 1082 CB ARG A 785 26.930 -13.290 -4.722 1.00 0.00 C ATOM 1083 CG ARG A 785 26.125 -14.465 -4.200 1.00 0.00 C ATOM 1084 CD ARG A 785 25.684 -14.253 -2.759 1.00 0.00 C ATOM 1085 NE ARG A 785 25.204 -15.494 -2.152 1.00 0.00 N ATOM 1086 CZ ARG A 785 24.077 -15.602 -1.448 1.00 0.00 C ATOM 1087 NH1 ARG A 785 23.286 -14.551 -1.276 1.00 0.00 N ATOM 1088 NH2 ARG A 785 23.745 -16.767 -0.907 1.00 0.00 N ATOM 0 H ARG A 785 25.463 -12.670 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 785 25.574 -11.835 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 785 27.336 -13.546 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 785 27.778 -13.120 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 785 25.248 -14.613 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 785 26.723 -15.374 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 785 26.519 -13.862 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 785 24.894 -13.503 -2.727 1.00 0.00 H new ATOM 0 HE ARG A 785 25.770 -16.334 -2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 785 23.538 -13.651 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 785 22.426 -14.643 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 785 24.352 -17.578 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 785 22.883 -16.852 -0.368 1.00 0.00 H new ATOM 1102 N ALA A 786 27.750 -10.428 -3.992 1.00 0.00 N ATOM 1103 CA ALA A 786 28.730 -9.351 -4.030 1.00 0.00 C ATOM 1104 C ALA A 786 28.114 -8.057 -4.553 1.00 0.00 C ATOM 1105 O ALA A 786 28.583 -7.543 -5.591 1.00 0.00 O ATOM 1106 CB ALA A 786 29.933 -9.759 -4.869 1.00 0.00 C ATOM 0 H ALA A 786 27.631 -10.843 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 786 29.066 -9.164 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 786 30.657 -8.944 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 786 30.396 -10.645 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 786 29.609 -9.980 -5.886 1.00 0.00 H new TER 1112 ALA A 786 HETATM 1113 P DGP A 801 27.512 -2.068 -21.932 1.00 0.00 P HETATM 1114 OP1 DGP A 801 28.179 -3.324 -22.356 1.00 0.00 O HETATM 1115 OP2 DGP A 801 27.711 -0.817 -22.708 1.00 0.00 O HETATM 1116 OP3 DGP A 801 27.903 -1.781 -20.413 1.00 0.00 O HETATM 1117 O5' DGP A 801 25.948 -2.357 -21.839 1.00 0.00 O HETATM 1118 C5' DGP A 801 25.141 -2.415 -23.015 1.00 0.00 C HETATM 1119 C4' DGP A 801 23.981 -1.450 -22.896 1.00 0.00 C HETATM 1120 O4' DGP A 801 23.585 -1.358 -21.509 1.00 0.00 O HETATM 1121 C3' DGP A 801 24.281 -0.022 -23.347 1.00 0.00 C HETATM 1122 O3' DGP A 801 23.144 0.569 -23.979 1.00 0.00 O HETATM 1123 C2' DGP A 801 24.607 0.701 -22.052 1.00 0.00 C HETATM 1124 C1' DGP A 801 23.777 -0.040 -21.018 1.00 0.00 C HETATM 1125 N9 DGP A 801 24.417 -0.138 -19.706 1.00 0.00 N HETATM 1126 C8 DGP A 801 25.724 -0.472 -19.460 1.00 0.00 C HETATM 1127 N7 DGP A 801 26.028 -0.474 -18.192 1.00 0.00 N HETATM 1128 C5 DGP A 801 24.846 -0.118 -17.559 1.00 0.00 C HETATM 1129 C6 DGP A 801 24.562 0.045 -16.181 1.00 0.00 C HETATM 1130 O6 DGP A 801 25.325 -0.103 -15.218 1.00 0.00 O HETATM 1131 N1 DGP A 801 23.240 0.412 -15.961 1.00 0.00 N HETATM 1132 C2 DGP A 801 22.309 0.599 -16.956 1.00 0.00 C HETATM 1133 N2 DGP A 801 21.083 0.959 -16.547 1.00 0.00 N HETATM 1134 N3 DGP A 801 22.558 0.452 -18.250 1.00 0.00 N HETATM 1135 C4 DGP A 801 23.840 0.096 -18.480 1.00 0.00 C HETATM 0 HO3' DGP A 801 23.362 1.483 -24.256 1.00 0.00 H new HETATM 0 HN22 DGP A 801 20.343 1.115 -17.231 1.00 0.00 H new HETATM 0 HN21 DGP A 801 20.891 1.077 -15.552 1.00 0.00 H new HETATM 0 H5'' DGP A 801 25.742 -2.168 -23.890 1.00 0.00 H new HETATM 0 H2'' DGP A 801 25.671 0.654 -21.822 1.00 0.00 H new HETATM 0 HN1 DGP A 801 22.940 0.552 -14.996 1.00 0.00 H new HETATM 0 H8 DGP A 801 26.439 -0.712 -20.247 1.00 0.00 H new HETATM 0 H5' DGP A 801 24.768 -3.429 -23.160 1.00 0.00 H new HETATM 0 H4' DGP A 801 23.210 -1.854 -23.552 1.00 0.00 H new HETATM 0 H3' DGP A 801 25.087 0.025 -24.079 1.00 0.00 H new HETATM 0 H2' DGP A 801 24.338 1.756 -22.102 1.00 0.00 H new HETATM 0 H1' DGP A 801 22.850 0.515 -20.876 1.00 0.00 H new