USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 836 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 Set 1.1: A 16 TYR OH : rot 180:sc= -0.0298 USER MOD Set 1.2: A 74 MET CE :methyl -174:sc= -0.032 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 179:sc= -0.481 (180deg=-0.498) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.316) USER MOD Single : A 14 CYS SG : rot -112:sc= 0.279 USER MOD Single : A 15 CYS SG : rot 39:sc= -0.0495 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.6) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 92:sc= -0.431 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.66) USER MOD Single : A 34 CYS SG : rot 50:sc= -5.43! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -150:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 49 THR OG1 : rot -42:sc= 0.968 USER MOD Single : A 52 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.59) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 66 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.2) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.6!) USER MOD Single : A 75 CYS SG : rot 80:sc= -2.74! USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 88 SER OG : rot 79:sc= 0.0293 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 70:sc= 0.0575 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.83! F(o=-2.8,f=-1.8!) USER MOD Single : A 99 THR OG1 : rot 93:sc= -2.27 USER MOD Single : A 100 TYR OH : rot -132:sc= 0.356 USER MOD Single : A 104 GLN : amide:sc= -0.303 K(o=-0.3,f=-2!) USER MOD Single : A 107 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-1.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.834 -16.435 1.966 1.00 0.00 N ATOM 2 CA GLY A 1 -11.310 -16.443 2.163 1.00 0.00 C ATOM 3 C GLY A 1 -11.973 -17.654 1.535 1.00 0.00 C ATOM 4 O GLY A 1 -11.754 -17.951 0.362 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.431 -15.580 2.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.419 -17.277 2.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.620 -16.442 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.531 -16.424 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.736 -15.536 1.733 1.00 0.00 H new ATOM 10 N SER A 2 -12.784 -18.355 2.321 1.00 0.00 N ATOM 11 CA SER A 2 -13.481 -19.540 1.837 1.00 0.00 C ATOM 12 C SER A 2 -14.926 -19.211 1.475 1.00 0.00 C ATOM 13 O SER A 2 -15.801 -19.178 2.342 1.00 0.00 O ATOM 14 CB SER A 2 -13.447 -20.646 2.893 1.00 0.00 C ATOM 15 OG SER A 2 -14.290 -21.725 2.531 1.00 0.00 O ATOM 0 H SER A 2 -12.974 -18.122 3.296 1.00 0.00 H new ATOM 0 HA SER A 2 -12.970 -19.889 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.425 -21.005 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.761 -20.243 3.856 1.00 0.00 H new ATOM 0 HG SER A 2 -14.249 -22.419 3.222 1.00 0.00 H new ATOM 21 N GLN A 3 -15.171 -18.971 0.191 1.00 0.00 N ATOM 22 CA GLN A 3 -16.511 -18.646 -0.283 1.00 0.00 C ATOM 23 C GLN A 3 -16.791 -19.307 -1.627 1.00 0.00 C ATOM 24 O GLN A 3 -17.844 -19.912 -1.828 1.00 0.00 O ATOM 25 CB GLN A 3 -16.680 -17.130 -0.401 1.00 0.00 C ATOM 26 CG GLN A 3 -16.661 -16.410 0.938 1.00 0.00 C ATOM 27 CD GLN A 3 -18.051 -16.056 1.429 1.00 0.00 C ATOM 28 OE1 GLN A 3 -19.045 -16.303 0.746 1.00 0.00 O ATOM 29 NE2 GLN A 3 -18.128 -15.474 2.620 1.00 0.00 N ATOM 0 H GLN A 3 -14.459 -18.995 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 3 -17.227 -19.029 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.884 -16.732 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -17.622 -16.916 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.168 -17.040 1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.068 -15.500 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -17.278 -15.288 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -19.037 -15.213 3.002 1.00 0.00 H new ATOM 38 N ASP A 4 -15.838 -19.187 -2.543 1.00 0.00 N ATOM 39 CA ASP A 4 -15.976 -19.771 -3.872 1.00 0.00 C ATOM 40 C ASP A 4 -14.613 -20.126 -4.451 1.00 0.00 C ATOM 41 O ASP A 4 -14.308 -21.296 -4.682 1.00 0.00 O ATOM 42 CB ASP A 4 -16.703 -18.802 -4.805 1.00 0.00 C ATOM 43 CG ASP A 4 -17.349 -19.507 -5.982 1.00 0.00 C ATOM 44 OD1 ASP A 4 -18.300 -20.285 -5.758 1.00 0.00 O ATOM 45 OD2 ASP A 4 -16.905 -19.281 -7.127 1.00 0.00 O ATOM 0 H ASP A 4 -14.960 -18.690 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.563 -20.685 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.467 -18.265 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.997 -18.058 -5.174 1.00 0.00 H new ATOM 50 N ARG A 5 -13.799 -19.106 -4.681 1.00 0.00 N ATOM 51 CA ARG A 5 -12.463 -19.299 -5.233 1.00 0.00 C ATOM 52 C ARG A 5 -11.584 -18.082 -4.970 1.00 0.00 C ATOM 53 O ARG A 5 -10.685 -18.121 -4.131 1.00 0.00 O ATOM 54 CB ARG A 5 -12.546 -19.578 -6.735 1.00 0.00 C ATOM 55 CG ARG A 5 -11.771 -20.810 -7.169 1.00 0.00 C ATOM 56 CD ARG A 5 -10.394 -20.445 -7.702 1.00 0.00 C ATOM 57 NE ARG A 5 -10.462 -19.887 -9.051 1.00 0.00 N ATOM 58 CZ ARG A 5 -10.700 -20.611 -10.142 1.00 0.00 C ATOM 59 NH1 ARG A 5 -10.893 -21.921 -10.048 1.00 0.00 N ATOM 60 NH2 ARG A 5 -10.746 -20.025 -11.331 1.00 0.00 N ATOM 0 H ARG A 5 -14.040 -18.133 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.011 -20.159 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.592 -19.700 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.169 -18.712 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.666 -21.491 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.331 -21.341 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.926 -19.723 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.760 -21.332 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.319 -18.883 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.859 -22.377 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.075 -22.471 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.599 -19.019 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.928 -20.581 -12.167 1.00 0.00 H new ATOM 74 N LYS A 6 -11.854 -17.004 -5.694 1.00 0.00 N ATOM 75 CA LYS A 6 -11.091 -15.767 -5.546 1.00 0.00 C ATOM 76 C LYS A 6 -9.627 -15.989 -5.918 1.00 0.00 C ATOM 77 O LYS A 6 -9.024 -16.992 -5.536 1.00 0.00 O ATOM 78 CB LYS A 6 -11.199 -15.242 -4.109 1.00 0.00 C ATOM 79 CG LYS A 6 -12.565 -15.456 -3.475 1.00 0.00 C ATOM 80 CD LYS A 6 -13.603 -14.507 -4.052 1.00 0.00 C ATOM 81 CE LYS A 6 -15.002 -14.839 -3.557 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.886 -15.299 -4.663 1.00 0.00 N ATOM 0 H LYS A 6 -12.597 -16.959 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.510 -15.023 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.444 -15.733 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.970 -14.176 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.884 -16.486 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.494 -15.308 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.353 -13.482 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.580 -14.560 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.943 -15.614 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.439 -13.959 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.734 -15.751 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.169 -14.484 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.374 -15.984 -5.255 1.00 0.00 H new ATOM 96 N ILE A 7 -9.059 -15.051 -6.671 1.00 0.00 N ATOM 97 CA ILE A 7 -7.666 -15.152 -7.098 1.00 0.00 C ATOM 98 C ILE A 7 -6.708 -14.810 -5.966 1.00 0.00 C ATOM 99 O ILE A 7 -5.547 -15.220 -5.977 1.00 0.00 O ATOM 100 CB ILE A 7 -7.366 -14.227 -8.293 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.901 -12.815 -8.033 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.961 -14.801 -9.568 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.846 -11.738 -8.167 1.00 0.00 C ATOM 0 H ILE A 7 -9.541 -14.213 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.516 -16.189 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.285 -14.162 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.712 -12.608 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.326 -12.774 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.741 -14.137 -10.404 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.529 -15.783 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.041 -14.896 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.293 -10.764 -7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.046 -11.921 -7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.438 -11.752 -9.178 1.00 0.00 H new ATOM 115 N PHE A 8 -7.196 -14.055 -4.990 1.00 0.00 N ATOM 116 CA PHE A 8 -6.378 -13.659 -3.855 1.00 0.00 C ATOM 117 C PHE A 8 -6.555 -14.640 -2.699 1.00 0.00 C ATOM 118 O PHE A 8 -5.577 -15.131 -2.135 1.00 0.00 O ATOM 119 CB PHE A 8 -6.744 -12.240 -3.409 1.00 0.00 C ATOM 120 CG PHE A 8 -6.293 -11.152 -4.352 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.253 -11.361 -5.249 1.00 0.00 C ATOM 122 CD2 PHE A 8 -6.911 -9.911 -4.332 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.844 -10.355 -6.105 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.504 -8.902 -5.185 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.471 -9.124 -6.072 1.00 0.00 C ATOM 0 H PHE A 8 -8.154 -13.706 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.332 -13.672 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.826 -12.177 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.307 -12.057 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.758 -12.320 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.721 -9.730 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.035 -10.531 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.995 -7.940 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.153 -8.337 -6.740 1.00 0.00 H new ATOM 135 N ARG A 9 -7.810 -14.930 -2.359 1.00 0.00 N ATOM 136 CA ARG A 9 -8.123 -15.862 -1.277 1.00 0.00 C ATOM 137 C ARG A 9 -7.258 -15.597 -0.050 1.00 0.00 C ATOM 138 O ARG A 9 -6.165 -16.147 0.082 1.00 0.00 O ATOM 139 CB ARG A 9 -7.930 -17.304 -1.751 1.00 0.00 C ATOM 140 CG ARG A 9 -8.276 -18.344 -0.697 1.00 0.00 C ATOM 141 CD ARG A 9 -7.866 -19.740 -1.135 1.00 0.00 C ATOM 142 NE ARG A 9 -8.889 -20.736 -0.819 1.00 0.00 N ATOM 143 CZ ARG A 9 -8.952 -21.938 -1.387 1.00 0.00 C ATOM 144 NH1 ARG A 9 -8.058 -22.298 -2.300 1.00 0.00 N ATOM 145 NH2 ARG A 9 -9.914 -22.783 -1.042 1.00 0.00 N ATOM 0 H ARG A 9 -8.629 -14.532 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.165 -15.711 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.548 -17.473 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.893 -17.441 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.777 -18.094 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.348 -18.323 -0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.677 -19.742 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.931 -20.013 -0.646 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.595 -20.496 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.317 -21.652 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.113 -23.221 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.605 -22.511 -0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.963 -23.704 -1.477 1.00 0.00 H new ATOM 159 N GLY A 10 -7.751 -14.745 0.840 1.00 0.00 N ATOM 160 CA GLY A 10 -7.005 -14.418 2.039 1.00 0.00 C ATOM 161 C GLY A 10 -5.923 -13.396 1.771 1.00 0.00 C ATOM 162 O GLY A 10 -4.743 -13.735 1.684 1.00 0.00 O ATOM 0 H GLY A 10 -8.652 -14.276 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.687 -14.034 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.555 -15.324 2.445 1.00 0.00 H new ATOM 166 N LEU A 11 -6.331 -12.144 1.626 1.00 0.00 N ATOM 167 CA LEU A 11 -5.395 -11.063 1.352 1.00 0.00 C ATOM 168 C LEU A 11 -5.862 -9.757 1.988 1.00 0.00 C ATOM 169 O LEU A 11 -7.038 -9.600 2.317 1.00 0.00 O ATOM 170 CB LEU A 11 -5.241 -10.882 -0.160 1.00 0.00 C ATOM 171 CG LEU A 11 -3.828 -11.100 -0.703 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.875 -11.790 -2.056 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.095 -9.775 -0.808 1.00 0.00 C ATOM 0 H LEU A 11 -7.306 -11.851 1.694 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.431 -11.326 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.917 -11.574 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.562 -9.874 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.287 -11.744 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.860 -11.936 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.367 -12.757 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.432 -11.172 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.091 -9.945 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.637 -9.112 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.030 -9.316 0.178 1.00 0.00 H new ATOM 185 N GLU A 12 -4.933 -8.823 2.148 1.00 0.00 N ATOM 186 CA GLU A 12 -5.242 -7.524 2.732 1.00 0.00 C ATOM 187 C GLU A 12 -4.481 -6.424 2.003 1.00 0.00 C ATOM 188 O GLU A 12 -3.260 -6.326 2.110 1.00 0.00 O ATOM 189 CB GLU A 12 -4.888 -7.511 4.220 1.00 0.00 C ATOM 190 CG GLU A 12 -6.003 -8.024 5.115 1.00 0.00 C ATOM 191 CD GLU A 12 -5.830 -7.602 6.561 1.00 0.00 C ATOM 192 OE1 GLU A 12 -6.191 -6.453 6.892 1.00 0.00 O ATOM 193 OE2 GLU A 12 -5.335 -8.422 7.363 1.00 0.00 O ATOM 0 H GLU A 12 -3.956 -8.942 1.880 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.311 -7.342 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.997 -8.119 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.635 -6.493 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.960 -7.656 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.037 -9.112 5.059 1.00 0.00 H new ATOM 200 N ILE A 13 -5.207 -5.605 1.250 1.00 0.00 N ATOM 201 CA ILE A 13 -4.592 -4.523 0.493 1.00 0.00 C ATOM 202 C ILE A 13 -5.143 -3.163 0.907 1.00 0.00 C ATOM 203 O ILE A 13 -6.355 -2.941 0.891 1.00 0.00 O ATOM 204 CB ILE A 13 -4.806 -4.717 -1.022 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.365 -6.120 -1.448 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.048 -3.658 -1.809 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.455 -6.908 -2.140 1.00 0.00 C ATOM 0 H ILE A 13 -6.220 -5.670 1.148 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.525 -4.550 0.714 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.869 -4.608 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.508 -6.036 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.031 -6.671 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.211 -3.811 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.406 -2.668 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.983 -3.735 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.074 -7.892 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.305 -7.023 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.773 -6.378 -3.038 1.00 0.00 H new ATOM 219 N CYS A 14 -4.245 -2.255 1.276 1.00 0.00 N ATOM 220 CA CYS A 14 -4.636 -0.914 1.691 1.00 0.00 C ATOM 221 C CYS A 14 -4.148 0.134 0.700 1.00 0.00 C ATOM 222 O CYS A 14 -3.051 0.026 0.152 1.00 0.00 O ATOM 223 CB CYS A 14 -4.083 -0.608 3.082 1.00 0.00 C ATOM 224 SG CYS A 14 -2.279 -0.649 3.184 1.00 0.00 S ATOM 0 H CYS A 14 -3.239 -2.425 1.296 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.725 -0.878 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.431 0.377 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.493 -1.328 3.791 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.909 -1.654 3.921 1.00 0.00 H new ATOM 230 N CYS A 15 -4.971 1.153 0.480 1.00 0.00 N ATOM 231 CA CYS A 15 -4.628 2.230 -0.440 1.00 0.00 C ATOM 232 C CYS A 15 -4.285 3.501 0.329 1.00 0.00 C ATOM 233 O CYS A 15 -5.114 4.035 1.066 1.00 0.00 O ATOM 234 CB CYS A 15 -5.785 2.497 -1.403 1.00 0.00 C ATOM 235 SG CYS A 15 -7.382 2.736 -0.589 1.00 0.00 S ATOM 0 H CYS A 15 -5.882 1.256 0.927 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.755 1.923 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.554 3.383 -1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.865 1.662 -2.098 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.214 3.420 0.504 1.00 0.00 H new ATOM 241 N TYR A 16 -3.059 3.979 0.155 1.00 0.00 N ATOM 242 CA TYR A 16 -2.609 5.186 0.836 1.00 0.00 C ATOM 243 C TYR A 16 -2.819 6.414 -0.040 1.00 0.00 C ATOM 244 O TYR A 16 -2.239 6.526 -1.121 1.00 0.00 O ATOM 245 CB TYR A 16 -1.133 5.059 1.219 1.00 0.00 C ATOM 246 CG TYR A 16 -0.838 5.474 2.643 1.00 0.00 C ATOM 247 CD1 TYR A 16 -0.701 6.815 2.982 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.698 4.526 3.649 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.431 7.198 4.282 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.428 4.902 4.952 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.297 6.238 5.263 1.00 0.00 C ATOM 252 OH TYR A 16 -0.027 6.616 6.559 1.00 0.00 O ATOM 0 H TYR A 16 -2.360 3.550 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.202 5.306 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.818 4.025 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.537 5.669 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.807 7.570 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.802 3.478 3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.325 8.244 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.320 4.152 5.722 1.00 0.00 H new ATOM 0 HH TYR A 16 0.036 5.819 7.126 1.00 0.00 H new ATOM 262 N GLY A 17 -3.654 7.334 0.431 1.00 0.00 N ATOM 263 CA GLY A 17 -3.930 8.542 -0.322 1.00 0.00 C ATOM 264 C GLY A 17 -4.797 8.281 -1.540 1.00 0.00 C ATOM 265 O GLY A 17 -4.701 7.217 -2.153 1.00 0.00 O ATOM 0 H GLY A 17 -4.145 7.264 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.427 9.265 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.989 8.992 -0.639 1.00 0.00 H new ATOM 269 N PRO A 18 -5.660 9.238 -1.919 1.00 0.00 N ATOM 270 CA PRO A 18 -6.543 9.089 -3.080 1.00 0.00 C ATOM 271 C PRO A 18 -5.777 8.727 -4.347 1.00 0.00 C ATOM 272 O PRO A 18 -4.616 9.097 -4.512 1.00 0.00 O ATOM 273 CB PRO A 18 -7.185 10.472 -3.225 1.00 0.00 C ATOM 274 CG PRO A 18 -7.100 11.078 -1.867 1.00 0.00 C ATOM 275 CD PRO A 18 -5.842 10.538 -1.248 1.00 0.00 C ATOM 0 HA PRO A 18 -7.263 8.283 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.657 11.077 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.220 10.394 -3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.069 12.166 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.972 10.816 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.994 11.201 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.943 10.422 -0.169 1.00 0.00 H new ATOM 283 N PHE A 19 -6.440 8.003 -5.243 1.00 0.00 N ATOM 284 CA PHE A 19 -5.826 7.591 -6.500 1.00 0.00 C ATOM 285 C PHE A 19 -6.330 8.451 -7.650 1.00 0.00 C ATOM 286 O PHE A 19 -5.604 9.294 -8.178 1.00 0.00 O ATOM 287 CB PHE A 19 -6.126 6.116 -6.780 1.00 0.00 C ATOM 288 CG PHE A 19 -5.267 5.169 -5.991 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.119 5.325 -4.622 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.608 4.124 -6.619 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.329 4.456 -3.894 1.00 0.00 C ATOM 292 CE2 PHE A 19 -3.817 3.252 -5.895 1.00 0.00 C ATOM 293 CZ PHE A 19 -3.677 3.419 -4.530 1.00 0.00 C ATOM 0 H PHE A 19 -7.403 7.689 -5.122 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.748 7.723 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.174 5.917 -6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.986 5.921 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.627 6.135 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.714 3.990 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.222 4.588 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.309 2.441 -6.395 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.059 2.739 -3.962 1.00 0.00 H new ATOM 303 N THR A 20 -7.581 8.232 -8.030 1.00 0.00 N ATOM 304 CA THR A 20 -8.198 8.983 -9.117 1.00 0.00 C ATOM 305 C THR A 20 -9.690 9.178 -8.858 1.00 0.00 C ATOM 306 O THR A 20 -10.482 9.281 -9.794 1.00 0.00 O ATOM 307 CB THR A 20 -7.988 8.261 -10.448 1.00 0.00 C ATOM 308 OG1 THR A 20 -8.001 6.856 -10.265 1.00 0.00 O ATOM 309 CG2 THR A 20 -6.685 8.623 -11.126 1.00 0.00 C ATOM 0 H THR A 20 -8.192 7.537 -7.600 1.00 0.00 H new ATOM 0 HA THR A 20 -7.723 9.963 -9.168 1.00 0.00 H new ATOM 0 HB THR A 20 -8.812 8.584 -11.084 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.867 6.412 -11.128 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.599 8.076 -12.065 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.665 9.694 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.851 8.360 -10.475 1.00 0.00 H new ATOM 317 N ASN A 21 -10.062 9.229 -7.583 1.00 0.00 N ATOM 318 CA ASN A 21 -11.457 9.413 -7.200 1.00 0.00 C ATOM 319 C ASN A 21 -11.574 9.717 -5.709 1.00 0.00 C ATOM 320 O ASN A 21 -10.640 9.481 -4.943 1.00 0.00 O ATOM 321 CB ASN A 21 -12.273 8.164 -7.548 1.00 0.00 C ATOM 322 CG ASN A 21 -13.503 8.489 -8.373 1.00 0.00 C ATOM 323 OD1 ASN A 21 -14.058 9.584 -8.276 1.00 0.00 O ATOM 324 ND2 ASN A 21 -13.936 7.536 -9.189 1.00 0.00 N ATOM 0 H ASN A 21 -9.417 9.145 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.854 10.262 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.644 7.464 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.577 7.664 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.760 7.696 -9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.445 6.643 -9.237 1.00 0.00 H new ATOM 331 N MET A 22 -12.725 10.242 -5.306 1.00 0.00 N ATOM 332 CA MET A 22 -12.965 10.579 -3.906 1.00 0.00 C ATOM 333 C MET A 22 -13.424 9.358 -3.109 1.00 0.00 C ATOM 334 O MET A 22 -12.925 9.103 -2.013 1.00 0.00 O ATOM 335 CB MET A 22 -14.007 11.694 -3.798 1.00 0.00 C ATOM 336 CG MET A 22 -13.870 12.537 -2.541 1.00 0.00 C ATOM 337 SD MET A 22 -13.091 14.133 -2.856 1.00 0.00 S ATOM 338 CE MET A 22 -13.628 15.060 -1.421 1.00 0.00 C ATOM 0 H MET A 22 -13.508 10.444 -5.928 1.00 0.00 H new ATOM 0 HA MET A 22 -12.022 10.926 -3.483 1.00 0.00 H new ATOM 0 HB2 MET A 22 -13.925 12.342 -4.670 1.00 0.00 H new ATOM 0 HB3 MET A 22 -15.003 11.252 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 22 -14.857 12.698 -2.107 1.00 0.00 H new ATOM 0 HG3 MET A 22 -13.283 11.990 -1.803 1.00 0.00 H new ATOM 0 HE1 MET A 22 -13.226 16.072 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.717 15.103 -1.402 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.268 14.570 -0.516 1.00 0.00 H new ATOM 348 N PRO A 23 -14.388 8.583 -3.644 1.00 0.00 N ATOM 349 CA PRO A 23 -14.908 7.392 -2.965 1.00 0.00 C ATOM 350 C PRO A 23 -13.799 6.473 -2.454 1.00 0.00 C ATOM 351 O PRO A 23 -13.649 6.282 -1.247 1.00 0.00 O ATOM 352 CB PRO A 23 -15.726 6.694 -4.051 1.00 0.00 C ATOM 353 CG PRO A 23 -16.163 7.793 -4.955 1.00 0.00 C ATOM 354 CD PRO A 23 -15.050 8.807 -4.945 1.00 0.00 C ATOM 0 HA PRO A 23 -15.485 7.652 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.128 5.955 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -16.580 6.166 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.342 7.420 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.097 8.235 -4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.362 8.655 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -15.433 9.824 -5.030 1.00 0.00 H new ATOM 362 N THR A 24 -13.026 5.904 -3.381 1.00 0.00 N ATOM 363 CA THR A 24 -11.930 4.999 -3.024 1.00 0.00 C ATOM 364 C THR A 24 -12.449 3.613 -2.627 1.00 0.00 C ATOM 365 O THR A 24 -11.665 2.693 -2.382 1.00 0.00 O ATOM 366 CB THR A 24 -11.102 5.585 -1.879 1.00 0.00 C ATOM 367 OG1 THR A 24 -11.188 6.999 -1.870 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.636 5.215 -1.943 1.00 0.00 C ATOM 0 H THR A 24 -13.138 6.053 -4.384 1.00 0.00 H new ATOM 0 HA THR A 24 -11.300 4.888 -3.907 1.00 0.00 H new ATOM 0 HB THR A 24 -11.526 5.156 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.925 7.278 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.110 5.665 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.532 4.131 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.208 5.583 -2.876 1.00 0.00 H new ATOM 376 N ASP A 25 -13.770 3.465 -2.578 1.00 0.00 N ATOM 377 CA ASP A 25 -14.384 2.192 -2.224 1.00 0.00 C ATOM 378 C ASP A 25 -14.407 1.272 -3.434 1.00 0.00 C ATOM 379 O ASP A 25 -14.430 0.048 -3.304 1.00 0.00 O ATOM 380 CB ASP A 25 -15.806 2.410 -1.703 1.00 0.00 C ATOM 381 CG ASP A 25 -15.833 3.207 -0.413 1.00 0.00 C ATOM 382 OD1 ASP A 25 -15.535 2.625 0.651 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.153 4.413 -0.467 1.00 0.00 O ATOM 0 H ASP A 25 -14.435 4.212 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.793 1.728 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.392 2.930 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.282 1.443 -1.540 1.00 0.00 H new ATOM 388 N GLN A 26 -14.395 1.881 -4.612 1.00 0.00 N ATOM 389 CA GLN A 26 -14.406 1.141 -5.858 1.00 0.00 C ATOM 390 C GLN A 26 -13.103 0.370 -6.034 1.00 0.00 C ATOM 391 O GLN A 26 -13.096 -0.751 -6.540 1.00 0.00 O ATOM 392 CB GLN A 26 -14.615 2.106 -7.023 1.00 0.00 C ATOM 393 CG GLN A 26 -15.503 1.551 -8.120 1.00 0.00 C ATOM 394 CD GLN A 26 -15.326 2.279 -9.439 1.00 0.00 C ATOM 395 OE1 GLN A 26 -15.608 3.472 -9.546 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.856 1.560 -10.452 1.00 0.00 N ATOM 0 H GLN A 26 -14.378 2.894 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 26 -15.225 0.422 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.053 3.029 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.645 2.364 -7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.282 0.493 -8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.545 1.620 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.635 0.573 -10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.716 1.995 -11.364 1.00 0.00 H new ATOM 405 N LEU A 27 -12.004 0.977 -5.599 1.00 0.00 N ATOM 406 CA LEU A 27 -10.698 0.342 -5.696 1.00 0.00 C ATOM 407 C LEU A 27 -10.617 -0.840 -4.741 1.00 0.00 C ATOM 408 O LEU A 27 -10.342 -1.966 -5.154 1.00 0.00 O ATOM 409 CB LEU A 27 -9.586 1.347 -5.389 1.00 0.00 C ATOM 410 CG LEU A 27 -8.171 0.767 -5.381 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.846 0.135 -6.727 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.154 1.845 -5.038 1.00 0.00 C ATOM 0 H LEU A 27 -11.993 1.906 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.564 -0.019 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.629 2.149 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.783 1.797 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.121 -0.008 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.835 -0.272 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.556 -0.666 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.914 0.891 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.153 1.414 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.205 2.642 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.374 2.252 -4.051 1.00 0.00 H new ATOM 424 N GLU A 28 -10.875 -0.583 -3.461 1.00 0.00 N ATOM 425 CA GLU A 28 -10.844 -1.644 -2.462 1.00 0.00 C ATOM 426 C GLU A 28 -11.873 -2.717 -2.801 1.00 0.00 C ATOM 427 O GLU A 28 -11.708 -3.885 -2.454 1.00 0.00 O ATOM 428 CB GLU A 28 -11.091 -1.089 -1.060 1.00 0.00 C ATOM 429 CG GLU A 28 -12.171 -0.023 -1.000 1.00 0.00 C ATOM 430 CD GLU A 28 -13.218 -0.312 0.059 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.710 -1.458 0.110 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.544 0.609 0.838 1.00 0.00 O ATOM 0 H GLU A 28 -11.105 0.341 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.851 -2.093 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.368 -1.910 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.160 -0.671 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.711 0.944 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.656 0.053 -1.973 1.00 0.00 H new ATOM 439 N TRP A 29 -12.934 -2.317 -3.498 1.00 0.00 N ATOM 440 CA TRP A 29 -13.969 -3.257 -3.902 1.00 0.00 C ATOM 441 C TRP A 29 -13.376 -4.293 -4.845 1.00 0.00 C ATOM 442 O TRP A 29 -13.554 -5.497 -4.665 1.00 0.00 O ATOM 443 CB TRP A 29 -15.123 -2.514 -4.587 1.00 0.00 C ATOM 444 CG TRP A 29 -15.950 -3.383 -5.487 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.733 -4.432 -5.109 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.066 -3.286 -6.911 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.339 -4.990 -6.208 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.945 -4.305 -7.328 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.517 -2.437 -7.876 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.285 -4.496 -8.664 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.855 -2.627 -9.203 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.732 -3.649 -9.586 1.00 0.00 C ATOM 0 H TRP A 29 -13.097 -1.354 -3.792 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.360 -3.761 -3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.768 -2.080 -3.823 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.716 -1.687 -5.169 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -16.859 -4.775 -4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -17.978 -5.785 -6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.840 -1.646 -7.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.961 -5.284 -8.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.436 -1.977 -9.956 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.977 -3.772 -10.631 1.00 0.00 H new ATOM 463 N MET A 30 -12.661 -3.803 -5.849 1.00 0.00 N ATOM 464 CA MET A 30 -12.021 -4.663 -6.836 1.00 0.00 C ATOM 465 C MET A 30 -11.192 -5.747 -6.151 1.00 0.00 C ATOM 466 O MET A 30 -11.391 -6.938 -6.394 1.00 0.00 O ATOM 467 CB MET A 30 -11.135 -3.831 -7.764 1.00 0.00 C ATOM 468 CG MET A 30 -11.843 -2.621 -8.355 1.00 0.00 C ATOM 469 SD MET A 30 -11.469 -2.382 -10.103 1.00 0.00 S ATOM 470 CE MET A 30 -11.487 -0.594 -10.210 1.00 0.00 C ATOM 0 H MET A 30 -12.509 -2.806 -6.002 1.00 0.00 H new ATOM 0 HA MET A 30 -12.799 -5.146 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.258 -3.495 -7.211 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.776 -4.464 -8.575 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.920 -2.738 -8.231 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.553 -1.729 -7.800 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.272 -0.289 -11.234 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.469 -0.222 -9.919 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.731 -0.182 -9.542 1.00 0.00 H new ATOM 480 N VAL A 31 -10.270 -5.331 -5.285 1.00 0.00 N ATOM 481 CA VAL A 31 -9.429 -6.277 -4.561 1.00 0.00 C ATOM 482 C VAL A 31 -10.288 -7.228 -3.737 1.00 0.00 C ATOM 483 O VAL A 31 -10.071 -8.440 -3.737 1.00 0.00 O ATOM 484 CB VAL A 31 -8.428 -5.567 -3.628 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.400 -4.784 -4.430 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.147 -4.651 -2.654 1.00 0.00 C ATOM 0 H VAL A 31 -10.088 -4.351 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.864 -6.835 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.907 -6.334 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.705 -4.292 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.850 -5.465 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.907 -4.033 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.418 -4.163 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.704 -3.896 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.837 -5.236 -2.046 1.00 0.00 H new ATOM 496 N GLN A 32 -11.275 -6.666 -3.046 1.00 0.00 N ATOM 497 CA GLN A 32 -12.184 -7.458 -2.225 1.00 0.00 C ATOM 498 C GLN A 32 -12.914 -8.484 -3.084 1.00 0.00 C ATOM 499 O GLN A 32 -13.210 -9.592 -2.636 1.00 0.00 O ATOM 500 CB GLN A 32 -13.192 -6.543 -1.523 1.00 0.00 C ATOM 501 CG GLN A 32 -12.900 -6.336 -0.046 1.00 0.00 C ATOM 502 CD GLN A 32 -13.937 -6.984 0.852 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.531 -8.003 0.499 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.160 -6.393 2.021 1.00 0.00 N ATOM 0 H GLN A 32 -11.466 -5.664 -3.038 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.603 -7.987 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.200 -5.574 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.191 -6.966 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.917 -6.745 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.859 -5.268 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.644 -5.550 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.847 -6.783 2.667 1.00 0.00 H new ATOM 513 N LEU A 33 -13.190 -8.102 -4.325 1.00 0.00 N ATOM 514 CA LEU A 33 -13.877 -8.974 -5.271 1.00 0.00 C ATOM 515 C LEU A 33 -12.977 -10.133 -5.698 1.00 0.00 C ATOM 516 O LEU A 33 -13.458 -11.161 -6.174 1.00 0.00 O ATOM 517 CB LEU A 33 -14.319 -8.174 -6.496 1.00 0.00 C ATOM 518 CG LEU A 33 -15.103 -8.965 -7.543 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.416 -9.471 -6.961 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.360 -8.109 -8.774 1.00 0.00 C ATOM 0 H LEU A 33 -12.946 -7.186 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.756 -9.388 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.933 -7.338 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.435 -7.750 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.506 -9.827 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.959 -10.031 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.211 -10.120 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.019 -8.624 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.919 -8.688 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.936 -7.228 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.409 -7.797 -9.205 1.00 0.00 H new ATOM 532 N CYS A 34 -11.668 -9.953 -5.536 1.00 0.00 N ATOM 533 CA CYS A 34 -10.698 -10.974 -5.916 1.00 0.00 C ATOM 534 C CYS A 34 -10.344 -11.885 -4.740 1.00 0.00 C ATOM 535 O CYS A 34 -9.584 -12.840 -4.899 1.00 0.00 O ATOM 536 CB CYS A 34 -9.429 -10.318 -6.462 1.00 0.00 C ATOM 537 SG CYS A 34 -9.483 -9.968 -8.235 1.00 0.00 S ATOM 0 H CYS A 34 -11.255 -9.107 -5.143 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.155 -11.589 -6.691 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.254 -9.386 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.579 -10.969 -6.257 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.585 -9.340 -8.520 1.00 0.00 H new ATOM 543 N GLY A 35 -10.896 -11.591 -3.563 1.00 0.00 N ATOM 544 CA GLY A 35 -10.621 -12.407 -2.391 1.00 0.00 C ATOM 545 C GLY A 35 -9.925 -11.637 -1.285 1.00 0.00 C ATOM 546 O GLY A 35 -9.982 -12.028 -0.119 1.00 0.00 O ATOM 0 H GLY A 35 -11.526 -10.805 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.558 -12.813 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.001 -13.255 -2.682 1.00 0.00 H new ATOM 550 N ALA A 36 -9.266 -10.544 -1.649 1.00 0.00 N ATOM 551 CA ALA A 36 -8.554 -9.721 -0.679 1.00 0.00 C ATOM 552 C ALA A 36 -9.517 -9.019 0.269 1.00 0.00 C ATOM 553 O ALA A 36 -10.734 -9.146 0.146 1.00 0.00 O ATOM 554 CB ALA A 36 -7.686 -8.700 -1.394 1.00 0.00 C ATOM 0 H ALA A 36 -9.210 -10.207 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.919 -10.378 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.159 -8.091 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.961 -9.216 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.313 -8.059 -2.013 1.00 0.00 H new ATOM 560 N SER A 37 -8.955 -8.278 1.214 1.00 0.00 N ATOM 561 CA SER A 37 -9.749 -7.545 2.190 1.00 0.00 C ATOM 562 C SER A 37 -9.264 -6.104 2.304 1.00 0.00 C ATOM 563 O SER A 37 -8.061 -5.849 2.371 1.00 0.00 O ATOM 564 CB SER A 37 -9.681 -8.233 3.557 1.00 0.00 C ATOM 565 OG SER A 37 -10.978 -8.470 4.074 1.00 0.00 O ATOM 0 H SER A 37 -7.947 -8.168 1.325 1.00 0.00 H new ATOM 0 HA SER A 37 -10.785 -7.537 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.144 -9.177 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.117 -7.612 4.253 1.00 0.00 H new ATOM 0 HG SER A 37 -10.907 -8.911 4.946 1.00 0.00 H new ATOM 571 N VAL A 38 -10.202 -5.166 2.324 1.00 0.00 N ATOM 572 CA VAL A 38 -9.862 -3.752 2.427 1.00 0.00 C ATOM 573 C VAL A 38 -9.359 -3.414 3.828 1.00 0.00 C ATOM 574 O VAL A 38 -10.085 -3.560 4.810 1.00 0.00 O ATOM 575 CB VAL A 38 -11.071 -2.857 2.090 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.206 -3.086 3.076 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.661 -1.391 2.067 1.00 0.00 C ATOM 0 H VAL A 38 -11.202 -5.358 2.270 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.070 -3.559 1.703 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.429 -3.127 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.048 -2.443 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.520 -4.129 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.865 -2.850 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.527 -0.775 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.272 -1.106 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.889 -1.241 1.312 1.00 0.00 H new ATOM 587 N VAL A 39 -8.111 -2.967 3.911 1.00 0.00 N ATOM 588 CA VAL A 39 -7.509 -2.615 5.192 1.00 0.00 C ATOM 589 C VAL A 39 -7.670 -1.126 5.479 1.00 0.00 C ATOM 590 O VAL A 39 -7.271 -0.282 4.676 1.00 0.00 O ATOM 591 CB VAL A 39 -6.012 -2.977 5.225 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.517 -3.110 6.653 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.748 -4.258 4.447 1.00 0.00 C ATOM 0 H VAL A 39 -7.496 -2.840 3.107 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.029 -3.189 5.959 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.461 -2.166 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.457 -3.366 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.660 -2.165 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.078 -3.895 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.684 -4.494 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.317 -5.076 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.054 -4.123 3.409 1.00 0.00 H new ATOM 603 N LYS A 40 -8.261 -0.810 6.627 1.00 0.00 N ATOM 604 CA LYS A 40 -8.480 0.578 7.021 1.00 0.00 C ATOM 605 C LYS A 40 -7.172 1.366 7.032 1.00 0.00 C ATOM 606 O LYS A 40 -7.172 2.586 6.874 1.00 0.00 O ATOM 607 CB LYS A 40 -9.137 0.639 8.402 1.00 0.00 C ATOM 608 CG LYS A 40 -10.239 1.682 8.505 1.00 0.00 C ATOM 609 CD LYS A 40 -11.600 1.038 8.723 1.00 0.00 C ATOM 610 CE LYS A 40 -12.117 0.387 7.451 1.00 0.00 C ATOM 611 NZ LYS A 40 -13.582 0.132 7.512 1.00 0.00 N ATOM 0 H LYS A 40 -8.597 -1.497 7.302 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.144 1.032 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.551 -0.340 8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.373 0.854 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.021 2.362 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.261 2.281 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.528 0.290 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.311 1.792 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.896 1.030 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.592 -0.554 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.894 -0.313 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.791 -0.502 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.086 1.032 7.644 1.00 0.00 H new ATOM 625 N GLU A 41 -6.059 0.662 7.219 1.00 0.00 N ATOM 626 CA GLU A 41 -4.748 1.302 7.250 1.00 0.00 C ATOM 627 C GLU A 41 -3.646 0.291 7.518 1.00 0.00 C ATOM 628 O GLU A 41 -3.884 -0.914 7.586 1.00 0.00 O ATOM 629 CB GLU A 41 -4.694 2.402 8.311 1.00 0.00 C ATOM 630 CG GLU A 41 -3.939 3.644 7.862 1.00 0.00 C ATOM 631 CD GLU A 41 -4.862 4.795 7.516 1.00 0.00 C ATOM 632 OE1 GLU A 41 -5.574 4.700 6.496 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.872 5.793 8.267 1.00 0.00 O ATOM 0 H GLU A 41 -6.039 -0.349 7.351 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.589 1.747 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.711 2.684 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.222 2.005 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.257 3.956 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.329 3.399 6.993 1.00 0.00 H new ATOM 640 N LEU A 42 -2.435 0.807 7.668 1.00 0.00 N ATOM 641 CA LEU A 42 -1.266 -0.026 7.929 1.00 0.00 C ATOM 642 C LEU A 42 -1.402 -0.756 9.263 1.00 0.00 C ATOM 643 O LEU A 42 -1.146 -1.956 9.355 1.00 0.00 O ATOM 644 CB LEU A 42 0.004 0.829 7.928 1.00 0.00 C ATOM 645 CG LEU A 42 0.115 1.825 6.770 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.380 2.660 6.902 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.093 1.093 5.436 1.00 0.00 C ATOM 0 H LEU A 42 -2.234 1.805 7.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.197 -0.770 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.053 1.380 8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.869 0.167 7.902 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.743 2.496 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.441 3.362 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.355 3.212 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.251 2.005 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.173 1.815 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.932 0.399 5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.841 0.540 5.340 1.00 0.00 H new ATOM 659 N SER A 43 -1.807 -0.023 10.295 1.00 0.00 N ATOM 660 CA SER A 43 -1.974 -0.603 11.624 1.00 0.00 C ATOM 661 C SER A 43 -3.163 -1.563 11.669 1.00 0.00 C ATOM 662 O SER A 43 -3.336 -2.300 12.640 1.00 0.00 O ATOM 663 CB SER A 43 -2.159 0.504 12.663 1.00 0.00 C ATOM 664 OG SER A 43 -0.926 0.843 13.273 1.00 0.00 O ATOM 0 H SER A 43 -2.025 0.972 10.238 1.00 0.00 H new ATOM 0 HA SER A 43 -1.072 -1.170 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.587 1.386 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.867 0.177 13.424 1.00 0.00 H new ATOM 0 HG SER A 43 -1.071 1.554 13.932 1.00 0.00 H new ATOM 670 N SER A 44 -3.983 -1.551 10.619 1.00 0.00 N ATOM 671 CA SER A 44 -5.151 -2.421 10.555 1.00 0.00 C ATOM 672 C SER A 44 -4.849 -3.699 9.776 1.00 0.00 C ATOM 673 O SER A 44 -5.753 -4.328 9.227 1.00 0.00 O ATOM 674 CB SER A 44 -6.324 -1.685 9.906 1.00 0.00 C ATOM 675 OG SER A 44 -6.997 -0.868 10.847 1.00 0.00 O ATOM 0 H SER A 44 -3.859 -0.950 9.805 1.00 0.00 H new ATOM 0 HA SER A 44 -5.417 -2.697 11.575 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.961 -1.072 9.081 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.021 -2.408 9.483 1.00 0.00 H new ATOM 0 HG SER A 44 -7.943 -0.795 10.600 1.00 0.00 H new ATOM 681 N PHE A 45 -3.576 -4.080 9.730 1.00 0.00 N ATOM 682 CA PHE A 45 -3.170 -5.286 9.016 1.00 0.00 C ATOM 683 C PHE A 45 -3.307 -6.517 9.907 1.00 0.00 C ATOM 684 O PHE A 45 -2.430 -6.808 10.720 1.00 0.00 O ATOM 685 CB PHE A 45 -1.728 -5.153 8.522 1.00 0.00 C ATOM 686 CG PHE A 45 -1.624 -4.612 7.124 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.326 -5.204 6.086 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.829 -3.512 6.850 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.236 -4.706 4.800 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.736 -3.010 5.566 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.440 -3.609 4.540 1.00 0.00 C ATOM 0 H PHE A 45 -2.811 -3.574 10.176 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.828 -5.408 8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.179 -4.498 9.199 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.246 -6.130 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.950 -6.063 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.275 -3.041 7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.788 -5.175 3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.114 -2.150 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.368 -3.219 3.535 1.00 0.00 H new ATOM 701 N THR A 46 -4.414 -7.234 9.747 1.00 0.00 N ATOM 702 CA THR A 46 -4.668 -8.434 10.536 1.00 0.00 C ATOM 703 C THR A 46 -3.660 -9.528 10.204 1.00 0.00 C ATOM 704 O THR A 46 -3.029 -9.506 9.148 1.00 0.00 O ATOM 705 CB THR A 46 -6.090 -8.941 10.285 1.00 0.00 C ATOM 706 OG1 THR A 46 -6.961 -7.866 9.984 1.00 0.00 O ATOM 707 CG2 THR A 46 -6.675 -9.690 11.463 1.00 0.00 C ATOM 0 H THR A 46 -5.150 -7.005 9.078 1.00 0.00 H new ATOM 0 HA THR A 46 -4.561 -8.176 11.590 1.00 0.00 H new ATOM 0 HB THR A 46 -6.006 -9.628 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.864 -8.211 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.684 -10.022 11.218 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.053 -10.556 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.710 -9.032 12.331 1.00 0.00 H new ATOM 715 N LEU A 47 -3.514 -10.486 11.114 1.00 0.00 N ATOM 716 CA LEU A 47 -2.584 -11.591 10.919 1.00 0.00 C ATOM 717 C LEU A 47 -3.223 -12.918 11.318 1.00 0.00 C ATOM 718 O LEU A 47 -2.878 -13.501 12.347 1.00 0.00 O ATOM 719 CB LEU A 47 -1.307 -11.360 11.730 1.00 0.00 C ATOM 720 CG LEU A 47 -0.637 -10.001 11.512 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.043 -9.482 12.814 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.436 -10.104 10.439 1.00 0.00 C ATOM 0 H LEU A 47 -4.029 -10.519 11.994 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.329 -11.636 9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.543 -11.466 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.591 -12.144 11.483 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.395 -9.293 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.429 -8.515 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.834 -9.371 13.556 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.702 -10.188 13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.903 -9.129 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.192 -10.826 10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.016 -10.431 9.502 1.00 0.00 H new ATOM 734 N GLY A 48 -4.158 -13.388 10.500 1.00 0.00 N ATOM 735 CA GLY A 48 -4.832 -14.641 10.786 1.00 0.00 C ATOM 736 C GLY A 48 -3.956 -15.847 10.508 1.00 0.00 C ATOM 737 O GLY A 48 -2.915 -16.027 11.140 1.00 0.00 O ATOM 0 H GLY A 48 -4.461 -12.924 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.141 -14.653 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.739 -14.708 10.185 1.00 0.00 H new ATOM 741 N THR A 49 -4.379 -16.677 9.559 1.00 0.00 N ATOM 742 CA THR A 49 -3.626 -17.872 9.198 1.00 0.00 C ATOM 743 C THR A 49 -3.649 -18.098 7.689 1.00 0.00 C ATOM 744 O THR A 49 -3.502 -19.227 7.220 1.00 0.00 O ATOM 745 CB THR A 49 -4.199 -19.096 9.916 1.00 0.00 C ATOM 746 OG1 THR A 49 -3.419 -20.247 9.645 1.00 0.00 O ATOM 747 CG2 THR A 49 -5.627 -19.407 9.521 1.00 0.00 C ATOM 0 H THR A 49 -5.239 -16.543 9.027 1.00 0.00 H new ATOM 0 HA THR A 49 -2.592 -17.726 9.509 1.00 0.00 H new ATOM 0 HB THR A 49 -4.178 -18.845 10.976 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.176 -20.261 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.972 -20.286 10.066 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.265 -18.557 9.762 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.674 -19.603 8.450 1.00 0.00 H new ATOM 755 N GLY A 50 -3.834 -17.020 6.934 1.00 0.00 N ATOM 756 CA GLY A 50 -3.871 -17.127 5.487 1.00 0.00 C ATOM 757 C GLY A 50 -4.188 -15.807 4.813 1.00 0.00 C ATOM 758 O GLY A 50 -4.879 -15.770 3.796 1.00 0.00 O ATOM 0 H GLY A 50 -3.959 -16.075 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.908 -17.492 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.619 -17.866 5.200 1.00 0.00 H new ATOM 762 N VAL A 51 -3.680 -14.720 5.381 1.00 0.00 N ATOM 763 CA VAL A 51 -3.910 -13.388 4.831 1.00 0.00 C ATOM 764 C VAL A 51 -2.595 -12.630 4.670 1.00 0.00 C ATOM 765 O VAL A 51 -1.909 -12.346 5.651 1.00 0.00 O ATOM 766 CB VAL A 51 -4.856 -12.567 5.727 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.290 -13.049 5.575 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.415 -12.641 7.181 1.00 0.00 C ATOM 0 H VAL A 51 -3.105 -14.734 6.223 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.374 -13.522 3.854 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.811 -11.525 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.943 -12.457 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.603 -12.938 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.354 -14.098 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.096 -12.055 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.428 -13.679 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.405 -12.242 7.276 1.00 0.00 H new ATOM 778 N HIS A 52 -2.248 -12.305 3.428 1.00 0.00 N ATOM 779 CA HIS A 52 -1.012 -11.583 3.146 1.00 0.00 C ATOM 780 C HIS A 52 -1.263 -10.077 3.071 1.00 0.00 C ATOM 781 O HIS A 52 -2.241 -9.633 2.471 1.00 0.00 O ATOM 782 CB HIS A 52 -0.395 -12.076 1.836 1.00 0.00 C ATOM 783 CG HIS A 52 0.654 -13.127 2.027 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.520 -13.140 3.101 1.00 0.00 N ATOM 785 CD2 HIS A 52 0.974 -14.208 1.276 1.00 0.00 C ATOM 786 CE1 HIS A 52 2.327 -14.182 3.002 1.00 0.00 C ATOM 787 NE2 HIS A 52 2.015 -14.845 1.904 1.00 0.00 N ATOM 0 H HIS A 52 -2.804 -12.530 2.603 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.315 -11.776 3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.185 -12.474 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.043 -11.229 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.499 -14.512 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.108 -14.446 3.700 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.474 -15.694 1.575 1.00 0.00 H new ATOM 796 N PRO A 53 -0.381 -9.267 3.688 1.00 0.00 N ATOM 797 CA PRO A 53 -0.515 -7.811 3.693 1.00 0.00 C ATOM 798 C PRO A 53 0.044 -7.162 2.431 1.00 0.00 C ATOM 799 O PRO A 53 1.154 -7.474 1.997 1.00 0.00 O ATOM 800 CB PRO A 53 0.311 -7.405 4.910 1.00 0.00 C ATOM 801 CG PRO A 53 1.394 -8.426 4.982 1.00 0.00 C ATOM 802 CD PRO A 53 0.814 -9.708 4.437 1.00 0.00 C ATOM 0 HA PRO A 53 -1.557 -7.494 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.719 -6.401 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.293 -7.402 5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.260 -8.114 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.733 -8.560 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.523 -10.224 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.551 -10.400 5.237 1.00 0.00 H new ATOM 810 N ILE A 54 -0.732 -6.252 1.851 1.00 0.00 N ATOM 811 CA ILE A 54 -0.323 -5.546 0.641 1.00 0.00 C ATOM 812 C ILE A 54 -0.680 -4.066 0.734 1.00 0.00 C ATOM 813 O ILE A 54 -1.636 -3.691 1.412 1.00 0.00 O ATOM 814 CB ILE A 54 -0.990 -6.135 -0.619 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.013 -7.662 -0.556 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.266 -5.664 -1.871 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.361 -8.290 -0.481 1.00 0.00 C ATOM 0 H ILE A 54 -1.652 -5.985 2.201 1.00 0.00 H new ATOM 0 HA ILE A 54 0.757 -5.665 0.557 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.020 -5.780 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.592 -7.972 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.530 -8.045 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.748 -6.088 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.303 -4.576 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.773 -5.990 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.263 -9.375 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.937 -8.011 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.874 -7.937 0.414 1.00 0.00 H new ATOM 829 N VAL A 55 0.089 -3.229 0.048 1.00 0.00 N ATOM 830 CA VAL A 55 -0.156 -1.791 0.055 1.00 0.00 C ATOM 831 C VAL A 55 -0.210 -1.240 -1.366 1.00 0.00 C ATOM 832 O VAL A 55 0.440 -1.767 -2.270 1.00 0.00 O ATOM 833 CB VAL A 55 0.934 -1.038 0.845 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.564 0.430 0.995 1.00 0.00 C ATOM 835 CG2 VAL A 55 1.155 -1.684 2.206 1.00 0.00 C ATOM 0 H VAL A 55 0.886 -3.520 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.119 -1.635 0.542 1.00 0.00 H new ATOM 0 HB VAL A 55 1.869 -1.099 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.344 0.946 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.465 0.883 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.382 0.514 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.928 -1.138 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.226 -1.659 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.470 -2.719 2.071 1.00 0.00 H new ATOM 845 N VAL A 56 -0.989 -0.182 -1.560 1.00 0.00 N ATOM 846 CA VAL A 56 -1.120 0.430 -2.878 1.00 0.00 C ATOM 847 C VAL A 56 -0.865 1.933 -2.820 1.00 0.00 C ATOM 848 O VAL A 56 -1.195 2.593 -1.834 1.00 0.00 O ATOM 849 CB VAL A 56 -2.515 0.184 -3.480 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.539 0.531 -4.962 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.951 -1.255 -3.260 1.00 0.00 C ATOM 0 H VAL A 56 -1.537 0.268 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.369 -0.039 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.221 0.838 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.536 0.348 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.282 1.582 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.816 -0.088 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.940 -1.406 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.239 -1.928 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.988 -1.465 -2.191 1.00 0.00 H new ATOM 861 N VAL A 57 -0.279 2.469 -3.887 1.00 0.00 N ATOM 862 CA VAL A 57 0.019 3.894 -3.964 1.00 0.00 C ATOM 863 C VAL A 57 -0.421 4.473 -5.305 1.00 0.00 C ATOM 864 O VAL A 57 -0.833 3.739 -6.203 1.00 0.00 O ATOM 865 CB VAL A 57 1.521 4.170 -3.766 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.873 4.171 -2.286 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.363 3.151 -4.521 1.00 0.00 C ATOM 0 H VAL A 57 -0.001 1.936 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.537 4.376 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 57 1.743 5.157 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.938 4.368 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.301 4.946 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.632 3.200 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.420 3.366 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.139 2.150 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.134 3.206 -5.585 1.00 0.00 H new ATOM 877 N GLN A 58 -0.330 5.794 -5.433 1.00 0.00 N ATOM 878 CA GLN A 58 -0.720 6.468 -6.667 1.00 0.00 C ATOM 879 C GLN A 58 -0.448 7.969 -6.579 1.00 0.00 C ATOM 880 O GLN A 58 -1.320 8.744 -6.187 1.00 0.00 O ATOM 881 CB GLN A 58 -2.201 6.219 -6.961 1.00 0.00 C ATOM 882 CG GLN A 58 -2.466 5.722 -8.373 1.00 0.00 C ATOM 883 CD GLN A 58 -2.186 6.777 -9.425 1.00 0.00 C ATOM 884 OE1 GLN A 58 -1.031 7.099 -9.706 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.244 7.320 -10.015 1.00 0.00 N ATOM 0 H GLN A 58 0.009 6.417 -4.700 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.122 6.059 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.586 5.489 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.755 7.144 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.847 4.846 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.505 5.402 -8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.183 7.023 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.117 8.034 -10.732 1.00 0.00 H new ATOM 894 N PRO A 59 0.772 8.399 -6.947 1.00 0.00 N ATOM 895 CA PRO A 59 1.155 9.815 -6.908 1.00 0.00 C ATOM 896 C PRO A 59 0.469 10.630 -8.000 1.00 0.00 C ATOM 897 O PRO A 59 1.126 11.169 -8.892 1.00 0.00 O ATOM 898 CB PRO A 59 2.667 9.778 -7.135 1.00 0.00 C ATOM 899 CG PRO A 59 2.901 8.528 -7.910 1.00 0.00 C ATOM 900 CD PRO A 59 1.872 7.541 -7.426 1.00 0.00 C ATOM 0 HA PRO A 59 0.863 10.293 -5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.007 10.655 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.209 9.766 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.797 8.707 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.911 8.151 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.544 6.877 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.265 6.910 -6.629 1.00 0.00 H new ATOM 908 N ASP A 60 -0.856 10.717 -7.925 1.00 0.00 N ATOM 909 CA ASP A 60 -1.629 11.468 -8.908 1.00 0.00 C ATOM 910 C ASP A 60 -2.654 12.366 -8.228 1.00 0.00 C ATOM 911 O ASP A 60 -2.552 13.591 -8.276 1.00 0.00 O ATOM 912 CB ASP A 60 -2.330 10.512 -9.875 1.00 0.00 C ATOM 913 CG ASP A 60 -2.811 11.212 -11.131 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.983 11.442 -12.037 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.017 11.530 -11.208 1.00 0.00 O ATOM 0 H ASP A 60 -1.416 10.277 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.939 12.099 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.645 9.710 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.179 10.049 -9.372 1.00 0.00 H new ATOM 920 N ALA A 61 -3.642 11.747 -7.597 1.00 0.00 N ATOM 921 CA ALA A 61 -4.692 12.487 -6.905 1.00 0.00 C ATOM 922 C ALA A 61 -4.421 12.564 -5.406 1.00 0.00 C ATOM 923 O ALA A 61 -5.343 12.739 -4.608 1.00 0.00 O ATOM 924 CB ALA A 61 -6.046 11.846 -7.166 1.00 0.00 C ATOM 0 H ALA A 61 -3.740 10.733 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.700 13.505 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.821 12.407 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.251 11.853 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.037 10.818 -6.805 1.00 0.00 H new ATOM 930 N TRP A 62 -3.154 12.433 -5.026 1.00 0.00 N ATOM 931 CA TRP A 62 -2.767 12.488 -3.620 1.00 0.00 C ATOM 932 C TRP A 62 -2.983 13.886 -3.040 1.00 0.00 C ATOM 933 O TRP A 62 -3.006 14.062 -1.822 1.00 0.00 O ATOM 934 CB TRP A 62 -1.302 12.076 -3.459 1.00 0.00 C ATOM 935 CG TRP A 62 -1.126 10.772 -2.742 1.00 0.00 C ATOM 936 CD1 TRP A 62 -1.497 9.536 -3.187 1.00 0.00 C ATOM 937 CD2 TRP A 62 -0.533 10.576 -1.454 1.00 0.00 C ATOM 938 NE1 TRP A 62 -1.172 8.582 -2.253 1.00 0.00 N ATOM 939 CE2 TRP A 62 -0.579 9.196 -1.180 1.00 0.00 C ATOM 940 CE3 TRP A 62 0.032 11.432 -0.504 1.00 0.00 C ATOM 941 CZ2 TRP A 62 -0.081 8.654 0.002 1.00 0.00 C ATOM 942 CZ3 TRP A 62 0.526 10.892 0.669 1.00 0.00 C ATOM 943 CH2 TRP A 62 0.467 9.515 0.914 1.00 0.00 C ATOM 0 H TRP A 62 -2.378 12.288 -5.672 1.00 0.00 H new ATOM 0 HA TRP A 62 -3.399 11.791 -3.070 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.842 12.005 -4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -0.771 12.856 -2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.976 9.337 -4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.344 7.581 -2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.082 12.496 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.126 7.592 0.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.965 11.544 1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.861 9.125 1.840 1.00 0.00 H new ATOM 954 N THR A 63 -3.136 14.877 -3.919 1.00 0.00 N ATOM 955 CA THR A 63 -3.347 16.262 -3.497 1.00 0.00 C ATOM 956 C THR A 63 -2.368 16.662 -2.395 1.00 0.00 C ATOM 957 O THR A 63 -1.406 15.946 -2.114 1.00 0.00 O ATOM 958 CB THR A 63 -4.789 16.464 -3.021 1.00 0.00 C ATOM 959 OG1 THR A 63 -5.056 17.838 -2.805 1.00 0.00 O ATOM 960 CG2 THR A 63 -5.112 15.729 -1.737 1.00 0.00 C ATOM 0 H THR A 63 -3.118 14.746 -4.930 1.00 0.00 H new ATOM 0 HA THR A 63 -3.166 16.903 -4.360 1.00 0.00 H new ATOM 0 HB THR A 63 -5.412 16.057 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.982 17.948 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.149 15.918 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.965 14.659 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.455 16.080 -0.942 1.00 0.00 H new ATOM 968 N GLU A 64 -2.620 17.811 -1.776 1.00 0.00 N ATOM 969 CA GLU A 64 -1.762 18.309 -0.707 1.00 0.00 C ATOM 970 C GLU A 64 -1.694 17.315 0.448 1.00 0.00 C ATOM 971 O GLU A 64 -2.718 16.813 0.909 1.00 0.00 O ATOM 972 CB GLU A 64 -2.272 19.660 -0.203 1.00 0.00 C ATOM 973 CG GLU A 64 -1.723 20.847 -0.978 1.00 0.00 C ATOM 974 CD GLU A 64 -1.994 22.169 -0.289 1.00 0.00 C ATOM 975 OE1 GLU A 64 -1.361 22.435 0.755 1.00 0.00 O ATOM 976 OE2 GLU A 64 -2.837 22.941 -0.792 1.00 0.00 O ATOM 0 H GLU A 64 -3.412 18.415 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.758 18.435 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.360 19.672 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.007 19.769 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.648 20.724 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.167 20.863 -1.973 1.00 0.00 H new ATOM 983 N ASP A 65 -0.479 17.038 0.912 1.00 0.00 N ATOM 984 CA ASP A 65 -0.277 16.105 2.014 1.00 0.00 C ATOM 985 C ASP A 65 0.982 16.458 2.800 1.00 0.00 C ATOM 986 O ASP A 65 1.647 17.453 2.513 1.00 0.00 O ATOM 987 CB ASP A 65 -0.180 14.672 1.486 1.00 0.00 C ATOM 988 CG ASP A 65 -0.976 13.692 2.327 1.00 0.00 C ATOM 989 OD1 ASP A 65 -2.185 13.929 2.529 1.00 0.00 O ATOM 990 OD2 ASP A 65 -0.389 12.687 2.783 1.00 0.00 O ATOM 0 H ASP A 65 0.379 17.446 0.542 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.134 16.179 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.541 14.641 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.866 14.365 1.466 1.00 0.00 H new ATOM 995 N ASN A 66 1.302 15.637 3.795 1.00 0.00 N ATOM 996 CA ASN A 66 2.480 15.864 4.623 1.00 0.00 C ATOM 997 C ASN A 66 3.745 15.395 3.911 1.00 0.00 C ATOM 998 O ASN A 66 4.745 16.112 3.865 1.00 0.00 O ATOM 999 CB ASN A 66 2.337 15.138 5.962 1.00 0.00 C ATOM 1000 CG ASN A 66 2.069 13.655 5.790 1.00 0.00 C ATOM 1001 OD1 ASN A 66 2.993 12.863 5.598 1.00 0.00 O ATOM 1002 ND2 ASN A 66 0.800 13.271 5.857 1.00 0.00 N ATOM 0 H ASN A 66 0.762 14.809 4.047 1.00 0.00 H new ATOM 0 HA ASN A 66 2.563 16.935 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.248 15.275 6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.523 15.588 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.559 12.286 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.066 13.961 6.018 1.00 0.00 H new ATOM 1009 N GLY A 67 3.692 14.189 3.357 1.00 0.00 N ATOM 1010 CA GLY A 67 4.840 13.644 2.654 1.00 0.00 C ATOM 1011 C GLY A 67 4.608 12.222 2.184 1.00 0.00 C ATOM 1012 O GLY A 67 4.034 11.408 2.909 1.00 0.00 O ATOM 0 H GLY A 67 2.875 13.579 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.070 14.275 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.710 13.670 3.310 1.00 0.00 H new ATOM 1016 N PHE A 68 5.051 11.922 0.968 1.00 0.00 N ATOM 1017 CA PHE A 68 4.884 10.587 0.404 1.00 0.00 C ATOM 1018 C PHE A 68 6.181 9.780 0.479 1.00 0.00 C ATOM 1019 O PHE A 68 6.204 8.599 0.133 1.00 0.00 O ATOM 1020 CB PHE A 68 4.418 10.680 -1.050 1.00 0.00 C ATOM 1021 CG PHE A 68 4.121 9.343 -1.664 1.00 0.00 C ATOM 1022 CD1 PHE A 68 2.864 8.774 -1.540 1.00 0.00 C ATOM 1023 CD2 PHE A 68 5.100 8.652 -2.359 1.00 0.00 C ATOM 1024 CE1 PHE A 68 2.588 7.540 -2.096 1.00 0.00 C ATOM 1025 CE2 PHE A 68 4.830 7.418 -2.919 1.00 0.00 C ATOM 1026 CZ PHE A 68 3.573 6.862 -2.788 1.00 0.00 C ATOM 0 H PHE A 68 5.527 12.583 0.355 1.00 0.00 H new ATOM 0 HA PHE A 68 4.128 10.072 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.524 11.301 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.186 11.180 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.090 9.302 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.085 9.082 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.605 7.106 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.601 6.889 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.360 5.898 -3.226 1.00 0.00 H new ATOM 1036 N HIS A 69 7.258 10.417 0.932 1.00 0.00 N ATOM 1037 CA HIS A 69 8.547 9.747 1.044 1.00 0.00 C ATOM 1038 C HIS A 69 8.633 8.943 2.341 1.00 0.00 C ATOM 1039 O HIS A 69 9.534 9.149 3.155 1.00 0.00 O ATOM 1040 CB HIS A 69 9.684 10.771 0.972 1.00 0.00 C ATOM 1041 CG HIS A 69 10.650 10.512 -0.142 1.00 0.00 C ATOM 1042 ND1 HIS A 69 10.577 11.146 -1.366 1.00 0.00 N ATOM 1043 CD2 HIS A 69 11.719 9.683 -0.215 1.00 0.00 C ATOM 1044 CE1 HIS A 69 11.557 10.716 -2.142 1.00 0.00 C ATOM 1045 NE2 HIS A 69 12.264 9.829 -1.466 1.00 0.00 N ATOM 0 H HIS A 69 7.262 11.394 1.226 1.00 0.00 H new ATOM 0 HA HIS A 69 8.646 9.053 0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.258 11.767 0.849 1.00 0.00 H new ATOM 0 HB3 HIS A 69 10.224 10.770 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.076 9.029 0.566 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.747 11.036 -3.156 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.083 9.333 -1.817 1.00 0.00 H new ATOM 1054 N ALA A 70 7.689 8.026 2.525 1.00 0.00 N ATOM 1055 CA ALA A 70 7.658 7.191 3.720 1.00 0.00 C ATOM 1056 C ALA A 70 6.579 6.118 3.617 1.00 0.00 C ATOM 1057 O ALA A 70 5.953 5.756 4.614 1.00 0.00 O ATOM 1058 CB ALA A 70 7.436 8.049 4.957 1.00 0.00 C ATOM 0 H ALA A 70 6.936 7.842 1.862 1.00 0.00 H new ATOM 0 HA ALA A 70 8.622 6.689 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.415 7.413 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.247 8.772 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.487 8.578 4.868 1.00 0.00 H new ATOM 1064 N ILE A 71 6.366 5.611 2.407 1.00 0.00 N ATOM 1065 CA ILE A 71 5.363 4.579 2.177 1.00 0.00 C ATOM 1066 C ILE A 71 5.786 3.260 2.814 1.00 0.00 C ATOM 1067 O ILE A 71 5.140 2.772 3.742 1.00 0.00 O ATOM 1068 CB ILE A 71 5.116 4.353 0.675 1.00 0.00 C ATOM 1069 CG1 ILE A 71 4.947 5.691 -0.048 1.00 0.00 C ATOM 1070 CG2 ILE A 71 3.888 3.480 0.469 1.00 0.00 C ATOM 1071 CD1 ILE A 71 3.816 6.535 0.499 1.00 0.00 C ATOM 0 H ILE A 71 6.875 5.898 1.571 1.00 0.00 H new ATOM 0 HA ILE A 71 4.438 4.928 2.637 1.00 0.00 H new ATOM 0 HB ILE A 71 5.982 3.842 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.878 6.254 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.770 5.503 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.725 3.328 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.042 2.516 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.016 3.970 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.755 7.468 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.876 5.991 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.001 6.754 1.551 1.00 0.00 H new ATOM 1083 N GLY A 72 6.877 2.692 2.313 1.00 0.00 N ATOM 1084 CA GLY A 72 7.374 1.438 2.847 1.00 0.00 C ATOM 1085 C GLY A 72 8.071 1.611 4.184 1.00 0.00 C ATOM 1086 O GLY A 72 8.297 0.638 4.903 1.00 0.00 O ATOM 0 H GLY A 72 7.427 3.078 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.544 0.741 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.068 0.993 2.134 1.00 0.00 H new ATOM 1090 N GLN A 73 8.411 2.852 4.521 1.00 0.00 N ATOM 1091 CA GLN A 73 9.084 3.145 5.780 1.00 0.00 C ATOM 1092 C GLN A 73 8.092 3.162 6.939 1.00 0.00 C ATOM 1093 O GLN A 73 8.468 2.949 8.092 1.00 0.00 O ATOM 1094 CB GLN A 73 9.808 4.489 5.694 1.00 0.00 C ATOM 1095 CG GLN A 73 11.089 4.438 4.876 1.00 0.00 C ATOM 1096 CD GLN A 73 12.329 4.320 5.741 1.00 0.00 C ATOM 1097 OE1 GLN A 73 12.283 4.557 6.947 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.446 3.953 5.124 1.00 0.00 N ATOM 0 H GLN A 73 8.231 3.670 3.939 1.00 0.00 H new ATOM 0 HA GLN A 73 9.814 2.357 5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.136 5.227 5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.044 4.831 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.046 3.590 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.161 5.337 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.437 3.767 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.313 3.858 5.653 1.00 0.00 H new ATOM 1107 N MET A 74 6.824 3.417 6.628 1.00 0.00 N ATOM 1108 CA MET A 74 5.782 3.462 7.647 1.00 0.00 C ATOM 1109 C MET A 74 5.089 2.109 7.780 1.00 0.00 C ATOM 1110 O MET A 74 4.572 1.769 8.845 1.00 0.00 O ATOM 1111 CB MET A 74 4.753 4.542 7.305 1.00 0.00 C ATOM 1112 CG MET A 74 5.102 5.912 7.863 1.00 0.00 C ATOM 1113 SD MET A 74 3.659 6.799 8.481 1.00 0.00 S ATOM 1114 CE MET A 74 2.908 7.337 6.948 1.00 0.00 C ATOM 0 H MET A 74 6.494 3.595 5.679 1.00 0.00 H new ATOM 0 HA MET A 74 6.252 3.704 8.600 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.660 4.613 6.221 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.779 4.239 7.690 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.826 5.798 8.670 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.582 6.505 7.085 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.063 7.990 7.166 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.643 7.881 6.354 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.561 6.468 6.389 1.00 0.00 H new ATOM 1124 N CYS A 75 5.082 1.339 6.696 1.00 0.00 N ATOM 1125 CA CYS A 75 4.451 0.023 6.697 1.00 0.00 C ATOM 1126 C CYS A 75 5.469 -1.072 6.397 1.00 0.00 C ATOM 1127 O CYS A 75 6.502 -0.822 5.777 1.00 0.00 O ATOM 1128 CB CYS A 75 3.318 -0.021 5.670 1.00 0.00 C ATOM 1129 SG CYS A 75 2.472 -1.616 5.571 1.00 0.00 S ATOM 0 H CYS A 75 5.506 1.603 5.807 1.00 0.00 H new ATOM 0 HA CYS A 75 4.040 -0.154 7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.588 0.750 5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 75 3.722 0.225 4.688 1.00 0.00 H new ATOM 0 HG CYS A 75 1.618 -1.715 6.546 1.00 0.00 H new ATOM 1135 N GLU A 76 5.165 -2.290 6.836 1.00 0.00 N ATOM 1136 CA GLU A 76 6.049 -3.426 6.610 1.00 0.00 C ATOM 1137 C GLU A 76 5.486 -4.345 5.531 1.00 0.00 C ATOM 1138 O GLU A 76 5.679 -5.560 5.573 1.00 0.00 O ATOM 1139 CB GLU A 76 6.251 -4.208 7.910 1.00 0.00 C ATOM 1140 CG GLU A 76 4.975 -4.839 8.446 1.00 0.00 C ATOM 1141 CD GLU A 76 5.211 -6.211 9.046 1.00 0.00 C ATOM 1142 OE1 GLU A 76 6.124 -6.341 9.888 1.00 0.00 O ATOM 1143 OE2 GLU A 76 4.482 -7.155 8.673 1.00 0.00 O ATOM 0 H GLU A 76 4.313 -2.514 7.350 1.00 0.00 H new ATOM 0 HA GLU A 76 7.012 -3.045 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.991 -4.991 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.661 -3.539 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.541 -4.185 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.247 -4.920 7.639 1.00 0.00 H new ATOM 1150 N ALA A 77 4.786 -3.755 4.566 1.00 0.00 N ATOM 1151 CA ALA A 77 4.191 -4.520 3.476 1.00 0.00 C ATOM 1152 C ALA A 77 4.628 -3.973 2.118 1.00 0.00 C ATOM 1153 O ALA A 77 5.274 -2.929 2.037 1.00 0.00 O ATOM 1154 CB ALA A 77 2.674 -4.512 3.591 1.00 0.00 C ATOM 0 H ALA A 77 4.617 -2.750 4.517 1.00 0.00 H new ATOM 0 HA ALA A 77 4.542 -5.549 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.244 -5.087 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.379 -4.958 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.311 -3.485 3.544 1.00 0.00 H new ATOM 1160 N PRO A 78 4.281 -4.681 1.029 1.00 0.00 N ATOM 1161 CA PRO A 78 4.641 -4.273 -0.329 1.00 0.00 C ATOM 1162 C PRO A 78 3.685 -3.236 -0.910 1.00 0.00 C ATOM 1163 O PRO A 78 2.472 -3.439 -0.933 1.00 0.00 O ATOM 1164 CB PRO A 78 4.535 -5.582 -1.107 1.00 0.00 C ATOM 1165 CG PRO A 78 3.441 -6.327 -0.421 1.00 0.00 C ATOM 1166 CD PRO A 78 3.517 -5.944 1.037 1.00 0.00 C ATOM 0 HA PRO A 78 5.621 -3.798 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.299 -5.404 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.472 -6.138 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.470 -6.066 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.564 -7.403 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.525 -5.809 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.018 -6.711 1.627 1.00 0.00 H new ATOM 1174 N VAL A 79 4.242 -2.127 -1.390 1.00 0.00 N ATOM 1175 CA VAL A 79 3.441 -1.064 -1.985 1.00 0.00 C ATOM 1176 C VAL A 79 3.455 -1.178 -3.506 1.00 0.00 C ATOM 1177 O VAL A 79 4.517 -1.316 -4.110 1.00 0.00 O ATOM 1178 CB VAL A 79 3.957 0.330 -1.586 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.978 1.406 -2.030 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.201 0.407 -0.085 1.00 0.00 C ATOM 0 H VAL A 79 5.245 -1.942 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 79 2.424 -1.180 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 79 4.908 0.502 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.358 2.386 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.862 1.368 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.011 1.237 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.565 1.401 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.269 0.213 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.944 -0.338 0.202 1.00 0.00 H new ATOM 1190 N VAL A 80 2.279 -1.124 -4.126 1.00 0.00 N ATOM 1191 CA VAL A 80 2.191 -1.230 -5.579 1.00 0.00 C ATOM 1192 C VAL A 80 1.069 -0.363 -6.139 1.00 0.00 C ATOM 1193 O VAL A 80 -0.032 -0.332 -5.594 1.00 0.00 O ATOM 1194 CB VAL A 80 1.952 -2.687 -6.021 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.142 -3.559 -5.657 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.674 -3.230 -5.401 1.00 0.00 C ATOM 0 H VAL A 80 1.384 -1.009 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 80 3.146 -0.881 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 80 1.838 -2.704 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.954 -4.584 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.035 -3.182 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.292 -3.538 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.522 -4.260 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.755 -3.199 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.172 -2.621 -5.719 1.00 0.00 H new ATOM 1206 N THR A 81 1.351 0.331 -7.237 1.00 0.00 N ATOM 1207 CA THR A 81 0.355 1.188 -7.874 1.00 0.00 C ATOM 1208 C THR A 81 -0.948 0.427 -8.101 1.00 0.00 C ATOM 1209 O THR A 81 -0.995 -0.796 -7.959 1.00 0.00 O ATOM 1210 CB THR A 81 0.884 1.721 -9.208 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.811 0.723 -10.210 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.318 2.197 -9.139 1.00 0.00 C ATOM 0 H THR A 81 2.258 0.318 -7.704 1.00 0.00 H new ATOM 0 HA THR A 81 0.157 2.028 -7.209 1.00 0.00 H new ATOM 0 HB THR A 81 0.248 2.573 -9.450 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.152 1.083 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.628 2.561 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.399 3.003 -8.410 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.962 1.370 -8.839 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.004 1.153 -8.451 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.303 0.536 -8.693 1.00 0.00 C ATOM 1222 C ARG A 82 -3.252 -0.414 -9.888 1.00 0.00 C ATOM 1223 O ARG A 82 -4.141 -1.247 -10.063 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.373 1.605 -8.919 1.00 0.00 C ATOM 1225 CG ARG A 82 -3.928 2.732 -9.839 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.005 3.087 -10.854 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.575 2.825 -12.225 1.00 0.00 N ATOM 1228 CZ ARG A 82 -3.803 3.648 -12.932 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -3.369 4.784 -12.399 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -3.462 3.333 -14.174 1.00 0.00 N ATOM 0 H ARG A 82 -1.987 2.166 -8.573 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.563 -0.044 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.261 1.134 -9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.662 2.027 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.684 3.612 -9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.018 2.438 -10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.907 2.513 -10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.266 4.140 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.885 1.960 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.627 5.030 -11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.778 5.411 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.791 2.461 -14.588 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.871 3.963 -14.716 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.208 -0.292 -10.708 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.054 -1.152 -11.879 1.00 0.00 C ATOM 1246 C GLU A 83 -2.196 -2.618 -11.490 1.00 0.00 C ATOM 1247 O GLU A 83 -2.804 -3.407 -12.213 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.697 -0.914 -12.544 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.688 0.265 -13.502 1.00 0.00 C ATOM 1250 CD GLU A 83 -0.822 -0.159 -14.951 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -1.905 -0.656 -15.326 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.156 0.003 -15.711 1.00 0.00 O ATOM 0 H GLU A 83 -1.460 0.391 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.841 -0.903 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.053 -0.749 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.404 -1.814 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.505 0.941 -13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.239 0.824 -13.375 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.646 -2.973 -10.336 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.729 -4.340 -9.841 1.00 0.00 C ATOM 1261 C TRP A 84 -3.180 -4.713 -9.595 1.00 0.00 C ATOM 1262 O TRP A 84 -3.699 -5.681 -10.151 1.00 0.00 O ATOM 1263 CB TRP A 84 -0.943 -4.475 -8.539 1.00 0.00 C ATOM 1264 CG TRP A 84 -0.960 -5.861 -7.971 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.212 -6.928 -8.379 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.775 -6.329 -6.891 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.511 -8.032 -7.615 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.468 -7.689 -6.695 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.733 -5.729 -6.071 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.087 -8.457 -5.711 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.346 -6.492 -5.095 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.021 -7.843 -4.922 1.00 0.00 C ATOM 0 H TRP A 84 -1.138 -2.333 -9.726 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.304 -5.010 -10.588 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.090 -4.176 -8.715 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.354 -3.784 -7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.508 -6.908 -9.183 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.090 -8.955 -7.716 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.990 -4.688 -6.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.839 -9.499 -5.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.088 -6.038 -4.455 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.518 -8.412 -4.150 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.823 -3.920 -8.752 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.223 -4.130 -8.404 1.00 0.00 C ATOM 1285 C VAL A 85 -6.100 -4.187 -9.652 1.00 0.00 C ATOM 1286 O VAL A 85 -7.044 -4.971 -9.723 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.737 -3.011 -7.474 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.209 -3.210 -7.144 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -4.903 -2.950 -6.203 1.00 0.00 C ATOM 0 H VAL A 85 -3.394 -3.117 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.284 -5.085 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.637 -2.060 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.546 -2.408 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.793 -3.196 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.343 -4.169 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.279 -2.155 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.968 -3.904 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.863 -2.747 -6.459 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.782 -3.349 -10.633 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.547 -3.306 -11.874 1.00 0.00 C ATOM 1301 C LEU A 86 -6.187 -4.481 -12.777 1.00 0.00 C ATOM 1302 O LEU A 86 -7.065 -5.166 -13.301 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.296 -1.988 -12.608 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.447 -1.511 -13.496 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.660 -1.154 -12.651 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.012 -0.320 -14.336 1.00 0.00 C ATOM 0 H LEU A 86 -5.002 -2.692 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.605 -3.377 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.082 -1.214 -11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.403 -2.097 -13.224 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.724 -2.323 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.469 -0.817 -13.299 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.985 -2.031 -12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.397 -0.357 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.843 0.007 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.709 0.496 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.173 -0.608 -14.969 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.891 -4.710 -12.951 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.415 -5.803 -13.789 1.00 0.00 C ATOM 1320 C ASP A 87 -4.898 -7.146 -13.251 1.00 0.00 C ATOM 1321 O ASP A 87 -5.165 -8.073 -14.015 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.887 -5.789 -13.864 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.346 -6.802 -14.854 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.816 -7.958 -14.839 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.451 -6.437 -15.646 1.00 0.00 O ATOM 0 H ASP A 87 -4.151 -4.153 -12.523 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.820 -5.665 -14.791 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.549 -4.792 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.476 -5.996 -12.876 1.00 0.00 H new ATOM 1330 N SER A 88 -5.007 -7.243 -11.930 1.00 0.00 N ATOM 1331 CA SER A 88 -5.457 -8.474 -11.289 1.00 0.00 C ATOM 1332 C SER A 88 -6.971 -8.633 -11.408 1.00 0.00 C ATOM 1333 O SER A 88 -7.462 -9.688 -11.804 1.00 0.00 O ATOM 1334 CB SER A 88 -5.049 -8.490 -9.815 1.00 0.00 C ATOM 1335 OG SER A 88 -3.639 -8.464 -9.676 1.00 0.00 O ATOM 0 H SER A 88 -4.790 -6.485 -11.283 1.00 0.00 H new ATOM 0 HA SER A 88 -4.980 -9.310 -11.801 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.484 -7.631 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.449 -9.382 -9.333 1.00 0.00 H new ATOM 0 HG SER A 88 -3.315 -7.547 -9.799 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.704 -7.580 -11.060 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.162 -7.610 -11.125 1.00 0.00 C ATOM 1343 C VAL A 89 -9.655 -7.597 -12.569 1.00 0.00 C ATOM 1344 O VAL A 89 -10.736 -8.106 -12.869 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.783 -6.421 -10.366 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.301 -6.516 -10.366 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.246 -6.359 -8.944 1.00 0.00 C ATOM 0 H VAL A 89 -7.314 -6.697 -10.731 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.478 -8.539 -10.650 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.502 -5.501 -10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.719 -5.667 -9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.666 -6.507 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.608 -7.442 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.695 -5.514 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.495 -7.282 -8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.163 -6.237 -8.969 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.861 -7.013 -13.460 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.223 -6.936 -14.870 1.00 0.00 C ATOM 1359 C ALA A 90 -9.249 -8.320 -15.506 1.00 0.00 C ATOM 1360 O ALA A 90 -10.254 -8.730 -16.086 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.256 -6.029 -15.615 1.00 0.00 C ATOM 0 H ALA A 90 -7.963 -6.586 -13.231 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.226 -6.514 -14.939 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.539 -5.981 -16.667 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.290 -5.028 -15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.245 -6.426 -15.529 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.137 -9.036 -15.389 1.00 0.00 N ATOM 1368 CA LEU A 91 -8.028 -10.377 -15.951 1.00 0.00 C ATOM 1369 C LEU A 91 -8.336 -11.446 -14.902 1.00 0.00 C ATOM 1370 O LEU A 91 -8.347 -12.639 -15.206 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.625 -10.596 -16.520 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.343 -12.010 -17.033 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.502 -11.964 -18.299 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -5.648 -12.835 -15.960 1.00 0.00 C ATOM 0 H LEU A 91 -7.298 -8.710 -14.910 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.762 -10.466 -16.752 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.468 -9.892 -17.337 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.895 -10.355 -15.747 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.294 -12.485 -17.273 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.313 -12.979 -18.647 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.036 -11.409 -19.071 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.553 -11.470 -18.088 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.454 -13.838 -16.341 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.704 -12.361 -15.691 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.287 -12.898 -15.079 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.583 -11.015 -13.667 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.887 -11.941 -12.580 1.00 0.00 C ATOM 1388 C TYR A 92 -7.758 -12.950 -12.397 1.00 0.00 C ATOM 1389 O TYR A 92 -7.871 -14.106 -12.804 1.00 0.00 O ATOM 1390 CB TYR A 92 -10.205 -12.667 -12.856 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.700 -13.515 -11.702 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.477 -13.138 -10.379 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -11.397 -14.692 -11.938 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -10.937 -13.915 -9.332 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -11.859 -15.472 -10.895 1.00 0.00 C ATOM 1396 CZ TYR A 92 -11.627 -15.078 -9.594 1.00 0.00 C ATOM 1397 OH TYR A 92 -12.086 -15.852 -8.553 1.00 0.00 O ATOM 0 H TYR A 92 -8.579 -10.032 -13.395 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.986 -11.367 -11.659 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.968 -11.929 -13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.080 -13.303 -13.732 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.937 -12.226 -10.169 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.582 -15.004 -12.955 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.756 -13.611 -8.312 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.399 -16.385 -11.098 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.553 -16.636 -8.910 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.670 -12.502 -11.780 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.515 -13.360 -11.538 1.00 0.00 C ATOM 1409 C GLN A 93 -4.448 -12.615 -10.742 1.00 0.00 C ATOM 1410 O GLN A 93 -4.119 -11.470 -11.047 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.931 -13.854 -12.863 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.951 -15.005 -12.704 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.464 -16.298 -13.307 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -4.132 -16.641 -14.442 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -5.279 -17.023 -12.550 1.00 0.00 N ATOM 0 H GLN A 93 -6.563 -11.547 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.845 -14.220 -10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.746 -14.169 -13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.427 -13.025 -13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.005 -14.739 -13.176 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.747 -15.159 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.528 -16.701 -11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.656 -17.902 -12.904 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.912 -13.273 -9.718 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.884 -12.670 -8.876 1.00 0.00 C ATOM 1426 C CYS A 94 -1.660 -12.278 -9.699 1.00 0.00 C ATOM 1427 O CYS A 94 -0.801 -13.111 -9.986 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.475 -13.639 -7.765 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.837 -12.830 -6.279 1.00 0.00 S ATOM 0 H CYS A 94 -4.172 -14.223 -9.452 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.301 -11.767 -8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.337 -14.248 -7.493 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.715 -14.318 -8.151 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.805 -12.209 -5.674 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.584 -11.004 -10.071 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.462 -10.502 -10.856 1.00 0.00 C ATOM 1437 C GLN A 95 0.735 -10.200 -9.960 1.00 0.00 C ATOM 1438 O GLN A 95 0.598 -10.094 -8.741 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.866 -9.239 -11.620 1.00 0.00 C ATOM 1440 CG GLN A 95 -2.233 -9.333 -12.277 1.00 0.00 C ATOM 1441 CD GLN A 95 -2.263 -10.328 -13.420 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.340 -10.174 -14.363 1.00 0.00 O flip ATOM 1443 NE2 GLN A 95 -3.105 -11.225 -13.455 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.286 -10.301 -9.841 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.179 -11.276 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.860 -8.392 -10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.118 -9.034 -12.386 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.972 -9.621 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.522 -8.350 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.796 -11.306 -12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.112 -11.888 -14.230 1.00 0.00 H new ATOM 1452 N GLU A 96 1.907 -10.062 -10.571 1.00 0.00 N ATOM 1453 CA GLU A 96 3.126 -9.769 -9.824 1.00 0.00 C ATOM 1454 C GLU A 96 3.109 -8.334 -9.306 1.00 0.00 C ATOM 1455 O GLU A 96 2.635 -7.424 -9.986 1.00 0.00 O ATOM 1456 CB GLU A 96 4.360 -9.997 -10.700 1.00 0.00 C ATOM 1457 CG GLU A 96 4.243 -9.392 -12.089 1.00 0.00 C ATOM 1458 CD GLU A 96 4.229 -10.440 -13.186 1.00 0.00 C ATOM 1459 OE1 GLU A 96 5.295 -11.030 -13.457 1.00 0.00 O ATOM 1460 OE2 GLU A 96 3.150 -10.670 -13.773 1.00 0.00 O ATOM 0 H GLU A 96 2.039 -10.148 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 96 3.172 -10.446 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.232 -9.574 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.535 -11.069 -10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.330 -8.800 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.077 -8.710 -12.255 1.00 0.00 H new ATOM 1467 N LEU A 97 3.623 -8.143 -8.096 1.00 0.00 N ATOM 1468 CA LEU A 97 3.662 -6.820 -7.482 1.00 0.00 C ATOM 1469 C LEU A 97 4.921 -6.058 -7.884 1.00 0.00 C ATOM 1470 O LEU A 97 4.899 -4.837 -8.031 1.00 0.00 O ATOM 1471 CB LEU A 97 3.590 -6.946 -5.958 1.00 0.00 C ATOM 1472 CG LEU A 97 2.176 -6.948 -5.375 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.677 -8.372 -5.192 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.142 -6.196 -4.052 1.00 0.00 C ATOM 0 H LEU A 97 4.018 -8.887 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 97 2.799 -6.258 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.090 -7.868 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.149 -6.122 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 97 1.515 -6.439 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.670 -8.354 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.662 -8.879 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.341 -8.905 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.128 -6.208 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.817 -6.676 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.457 -5.165 -4.211 1.00 0.00 H new ATOM 1486 N ASP A 98 6.018 -6.788 -8.055 1.00 0.00 N ATOM 1487 CA ASP A 98 7.290 -6.183 -8.437 1.00 0.00 C ATOM 1488 C ASP A 98 7.161 -5.384 -9.733 1.00 0.00 C ATOM 1489 O ASP A 98 7.963 -4.488 -10.001 1.00 0.00 O ATOM 1490 CB ASP A 98 8.360 -7.264 -8.600 1.00 0.00 C ATOM 1491 CG ASP A 98 9.741 -6.773 -8.211 1.00 0.00 C ATOM 1492 OD1 ASP A 98 10.407 -6.142 -9.059 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.158 -7.020 -7.059 1.00 0.00 O ATOM 0 H ASP A 98 6.052 -7.800 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 98 7.584 -5.497 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.098 -8.126 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.376 -7.602 -9.636 1.00 0.00 H new ATOM 1498 N THR A 99 6.156 -5.715 -10.536 1.00 0.00 N ATOM 1499 CA THR A 99 5.932 -5.029 -11.805 1.00 0.00 C ATOM 1500 C THR A 99 5.302 -3.652 -11.597 1.00 0.00 C ATOM 1501 O THR A 99 5.295 -2.824 -12.507 1.00 0.00 O ATOM 1502 CB THR A 99 5.041 -5.876 -12.713 1.00 0.00 C ATOM 1503 OG1 THR A 99 4.159 -6.674 -11.943 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.819 -6.799 -13.625 1.00 0.00 C ATOM 0 H THR A 99 5.483 -6.454 -10.332 1.00 0.00 H new ATOM 0 HA THR A 99 6.903 -4.887 -12.279 1.00 0.00 H new ATOM 0 HB THR A 99 4.494 -5.163 -13.329 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.313 -6.196 -11.814 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.125 -7.371 -14.242 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.474 -6.209 -14.267 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.419 -7.483 -13.025 1.00 0.00 H new ATOM 1512 N TYR A 100 4.772 -3.411 -10.401 1.00 0.00 N ATOM 1513 CA TYR A 100 4.142 -2.132 -10.094 1.00 0.00 C ATOM 1514 C TYR A 100 4.497 -1.665 -8.685 1.00 0.00 C ATOM 1515 O TYR A 100 3.798 -0.835 -8.103 1.00 0.00 O ATOM 1516 CB TYR A 100 2.622 -2.240 -10.238 1.00 0.00 C ATOM 1517 CG TYR A 100 2.183 -2.966 -11.490 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.267 -2.354 -12.735 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.686 -4.261 -11.426 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.867 -3.015 -13.881 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.285 -4.928 -12.568 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.376 -4.300 -13.793 1.00 0.00 C ATOM 1523 OH TYR A 100 0.977 -4.960 -14.932 1.00 0.00 O ATOM 0 H TYR A 100 4.766 -4.082 -9.632 1.00 0.00 H new ATOM 0 HA TYR A 100 4.519 -1.396 -10.804 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.219 -2.758 -9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.193 -1.238 -10.240 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.651 -1.347 -12.808 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.612 -4.755 -10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.939 -2.527 -14.842 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.902 -5.936 -12.502 1.00 0.00 H new ATOM 0 HH TYR A 100 0.098 -5.367 -14.783 1.00 0.00 H new ATOM 1533 N LEU A 101 5.586 -2.199 -8.142 1.00 0.00 N ATOM 1534 CA LEU A 101 6.028 -1.833 -6.803 1.00 0.00 C ATOM 1535 C LEU A 101 6.805 -0.519 -6.829 1.00 0.00 C ATOM 1536 O LEU A 101 7.249 -0.071 -7.887 1.00 0.00 O ATOM 1537 CB LEU A 101 6.898 -2.946 -6.213 1.00 0.00 C ATOM 1538 CG LEU A 101 6.419 -3.511 -4.873 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.515 -5.029 -4.866 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.226 -2.923 -3.725 1.00 0.00 C ATOM 0 H LEU A 101 6.178 -2.886 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 101 5.147 -1.699 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.953 -3.762 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.911 -2.564 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 101 5.374 -3.231 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.170 -5.411 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.893 -5.437 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.551 -5.329 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.871 -3.337 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.279 -3.171 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.107 -1.840 -3.714 1.00 0.00 H new ATOM 1552 N ILE A 102 6.967 0.094 -5.662 1.00 0.00 N ATOM 1553 CA ILE A 102 7.691 1.356 -5.555 1.00 0.00 C ATOM 1554 C ILE A 102 9.183 1.159 -5.821 1.00 0.00 C ATOM 1555 O ILE A 102 9.779 0.187 -5.357 1.00 0.00 O ATOM 1556 CB ILE A 102 7.509 1.992 -4.163 1.00 0.00 C ATOM 1557 CG1 ILE A 102 7.907 1.001 -3.065 1.00 0.00 C ATOM 1558 CG2 ILE A 102 6.071 2.454 -3.976 1.00 0.00 C ATOM 1559 CD1 ILE A 102 9.203 1.358 -2.371 1.00 0.00 C ATOM 0 H ILE A 102 6.607 -0.262 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 102 7.275 2.024 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 102 8.161 2.862 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.109 0.952 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.999 0.006 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.958 2.901 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.824 3.192 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.400 1.600 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.423 0.614 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.013 1.379 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.108 2.339 -1.906 1.00 0.00 H new ATOM 1571 N PRO A 103 9.809 2.080 -6.576 1.00 0.00 N ATOM 1572 CA PRO A 103 11.236 1.995 -6.900 1.00 0.00 C ATOM 1573 C PRO A 103 12.126 2.357 -5.714 1.00 0.00 C ATOM 1574 O PRO A 103 11.634 2.647 -4.624 1.00 0.00 O ATOM 1575 CB PRO A 103 11.401 3.021 -8.022 1.00 0.00 C ATOM 1576 CG PRO A 103 10.335 4.030 -7.765 1.00 0.00 C ATOM 1577 CD PRO A 103 9.176 3.272 -7.174 1.00 0.00 C ATOM 0 HA PRO A 103 11.532 0.983 -7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.391 3.476 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.283 2.560 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.686 4.802 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.043 4.532 -8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.650 3.864 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.446 2.999 -7.936 1.00 0.00 H new ATOM 1585 N GLN A 104 13.436 2.337 -5.937 1.00 0.00 N ATOM 1586 CA GLN A 104 14.396 2.664 -4.888 1.00 0.00 C ATOM 1587 C GLN A 104 15.595 3.412 -5.462 1.00 0.00 C ATOM 1588 O GLN A 104 15.829 4.575 -5.134 1.00 0.00 O ATOM 1589 CB GLN A 104 14.865 1.390 -4.181 1.00 0.00 C ATOM 1590 CG GLN A 104 15.456 1.643 -2.803 1.00 0.00 C ATOM 1591 CD GLN A 104 14.629 1.028 -1.691 1.00 0.00 C ATOM 1592 OE1 GLN A 104 13.854 0.099 -1.920 1.00 0.00 O ATOM 1593 NE2 GLN A 104 14.789 1.545 -0.478 1.00 0.00 N ATOM 0 H GLN A 104 13.857 2.098 -6.835 1.00 0.00 H new ATOM 0 HA GLN A 104 13.900 3.311 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.022 0.706 -4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 104 15.611 0.893 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 104 16.467 1.237 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 104 15.537 2.717 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 104 15.443 2.315 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.258 1.172 0.309 1.00 0.00 H new ATOM 1602 N ILE A 105 16.352 2.735 -6.321 1.00 0.00 N ATOM 1603 CA ILE A 105 17.527 3.336 -6.941 1.00 0.00 C ATOM 1604 C ILE A 105 17.762 2.763 -8.340 1.00 0.00 C ATOM 1605 O ILE A 105 18.129 1.597 -8.486 1.00 0.00 O ATOM 1606 CB ILE A 105 18.790 3.111 -6.084 1.00 0.00 C ATOM 1607 CG1 ILE A 105 19.995 3.823 -6.707 1.00 0.00 C ATOM 1608 CG2 ILE A 105 19.067 1.623 -5.922 1.00 0.00 C ATOM 1609 CD1 ILE A 105 20.572 4.914 -5.832 1.00 0.00 C ATOM 0 H ILE A 105 16.172 1.771 -6.603 1.00 0.00 H new ATOM 0 HA ILE A 105 17.336 4.406 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 105 18.617 3.535 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 105 20.772 3.088 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 105 19.697 4.254 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 105 19.961 1.483 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 105 18.218 1.146 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 105 19.220 1.173 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 105 21.422 5.374 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 105 19.810 5.670 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 105 20.901 4.485 -4.885 1.00 0.00 H new ATOM 1621 N PRO A 106 17.555 3.576 -9.394 1.00 0.00 N ATOM 1622 CA PRO A 106 17.749 3.133 -10.779 1.00 0.00 C ATOM 1623 C PRO A 106 19.112 2.484 -10.995 1.00 0.00 C ATOM 1624 O PRO A 106 20.090 3.160 -11.312 1.00 0.00 O ATOM 1625 CB PRO A 106 17.642 4.430 -11.584 1.00 0.00 C ATOM 1626 CG PRO A 106 16.795 5.325 -10.748 1.00 0.00 C ATOM 1627 CD PRO A 106 17.115 4.983 -9.320 1.00 0.00 C ATOM 0 HA PRO A 106 17.023 2.373 -11.069 1.00 0.00 H new ATOM 0 HB2 PRO A 106 18.624 4.867 -11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 106 17.189 4.254 -12.560 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.011 6.373 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.737 5.170 -10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.897 5.628 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 106 16.244 5.098 -8.675 1.00 0.00 H new ATOM 1635 N HIS A 107 19.168 1.167 -10.821 1.00 0.00 N ATOM 1636 CA HIS A 107 20.411 0.425 -10.998 1.00 0.00 C ATOM 1637 C HIS A 107 20.180 -1.071 -10.818 1.00 0.00 C ATOM 1638 O HIS A 107 19.711 -1.515 -9.770 1.00 0.00 O ATOM 1639 CB HIS A 107 21.467 0.914 -10.006 1.00 0.00 C ATOM 1640 CG HIS A 107 22.867 0.556 -10.397 1.00 0.00 C ATOM 1641 ND1 HIS A 107 23.238 -0.716 -10.784 1.00 0.00 N ATOM 1642 CD2 HIS A 107 23.990 1.309 -10.460 1.00 0.00 C ATOM 1643 CE1 HIS A 107 24.529 -0.728 -11.069 1.00 0.00 C ATOM 1644 NE2 HIS A 107 25.008 0.488 -10.881 1.00 0.00 N ATOM 0 H HIS A 107 18.367 0.592 -10.558 1.00 0.00 H new ATOM 0 HA HIS A 107 20.769 0.600 -12.013 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.391 1.997 -9.911 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.254 0.492 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.071 2.360 -10.223 1.00 0.00 H new ATOM 0 HE1 HIS A 107 25.095 -1.586 -11.399 1.00 0.00 H new ATOM 0 HE2 HIS A 107 25.977 0.772 -11.025 1.00 0.00 H new ATOM 1653 N SER A 108 20.514 -1.845 -11.846 1.00 0.00 N ATOM 1654 CA SER A 108 20.344 -3.291 -11.801 1.00 0.00 C ATOM 1655 C SER A 108 21.480 -3.996 -12.534 1.00 0.00 C ATOM 1656 O SER A 108 21.352 -4.351 -13.706 1.00 0.00 O ATOM 1657 CB SER A 108 19.001 -3.688 -12.419 1.00 0.00 C ATOM 1658 OG SER A 108 17.928 -3.015 -11.782 1.00 0.00 O ATOM 0 H SER A 108 20.904 -1.494 -12.720 1.00 0.00 H new ATOM 0 HA SER A 108 20.362 -3.600 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 108 19.003 -3.451 -13.483 1.00 0.00 H new ATOM 0 HB3 SER A 108 18.861 -4.766 -12.332 1.00 0.00 H new ATOM 0 HG SER A 108 17.081 -3.284 -12.196 1.00 0.00 H new ATOM 1664 N HIS A 109 22.594 -4.195 -11.835 1.00 0.00 N ATOM 1665 CA HIS A 109 23.755 -4.858 -12.418 1.00 0.00 C ATOM 1666 C HIS A 109 24.482 -5.700 -11.375 1.00 0.00 C ATOM 1667 O HIS A 109 24.434 -6.930 -11.412 1.00 0.00 O ATOM 1668 CB HIS A 109 24.710 -3.824 -13.017 1.00 0.00 C ATOM 1669 CG HIS A 109 25.126 -4.136 -14.421 1.00 0.00 C ATOM 1670 ND1 HIS A 109 26.434 -4.379 -14.783 1.00 0.00 N ATOM 1671 CD2 HIS A 109 24.397 -4.245 -15.557 1.00 0.00 C ATOM 1672 CE1 HIS A 109 26.492 -4.625 -16.080 1.00 0.00 C ATOM 1673 NE2 HIS A 109 25.270 -4.550 -16.572 1.00 0.00 N ATOM 0 H HIS A 109 22.717 -3.906 -10.864 1.00 0.00 H new ATOM 0 HA HIS A 109 23.406 -5.520 -13.210 1.00 0.00 H new ATOM 0 HB2 HIS A 109 24.231 -2.845 -12.998 1.00 0.00 H new ATOM 0 HB3 HIS A 109 25.599 -3.756 -12.390 1.00 0.00 H new ATOM 0 HD2 HIS A 109 23.329 -4.116 -15.648 1.00 0.00 H new ATOM 0 HE1 HIS A 109 27.387 -4.849 -16.642 1.00 0.00 H new ATOM 0 HE2 HIS A 109 25.015 -4.695 -17.549 1.00 0.00 H new ATOM 1682 N TYR A 110 25.156 -5.030 -10.445 1.00 0.00 N ATOM 1683 CA TYR A 110 25.894 -5.716 -9.391 1.00 0.00 C ATOM 1684 C TYR A 110 24.940 -6.348 -8.383 1.00 0.00 C ATOM 1685 O TYR A 110 24.357 -5.599 -7.571 1.00 0.00 O ATOM 1686 CB TYR A 110 26.833 -4.741 -8.680 1.00 0.00 C ATOM 1687 CG TYR A 110 27.858 -5.420 -7.798 1.00 0.00 C ATOM 1688 CD1 TYR A 110 28.562 -6.531 -8.247 1.00 0.00 C ATOM 1689 CD2 TYR A 110 28.121 -4.951 -6.518 1.00 0.00 C ATOM 1690 CE1 TYR A 110 29.498 -7.154 -7.444 1.00 0.00 C ATOM 1691 CE2 TYR A 110 29.055 -5.568 -5.709 1.00 0.00 C ATOM 1692 CZ TYR A 110 29.741 -6.669 -6.177 1.00 0.00 C ATOM 1693 OH TYR A 110 30.673 -7.286 -5.375 1.00 0.00 O ATOM 1694 OXT TYR A 110 24.784 -7.587 -8.413 1.00 0.00 O ATOM 0 H TYR A 110 25.206 -4.012 -10.400 1.00 0.00 H new ATOM 0 HA TYR A 110 26.485 -6.508 -9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 110 27.351 -4.139 -9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 110 26.240 -4.056 -8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 110 28.374 -6.913 -9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 110 27.586 -4.089 -6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 110 30.037 -8.017 -7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 110 29.247 -5.190 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 110 30.724 -6.820 -4.515 1.00 0.00 H new TER 1704 TYR A 110